#DEFINITION	Reference Metabolome for Cyperus rotundus
#IDENTTFIER	RefMeta-Cyperus rotundus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cyperus rotundus
#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 Cyperus rotundus 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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98719	0.7
67.11237	0.7
84.23775	0.7
85.82175	0.8
96.95862	1.0
149.87962	0.8
161.66302	0.7
209.11922	0.8
264.09570	0.7
289.18243	4.2
307.19333	2.9
341.92813	0.7
411.01733	0.9
430.50967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01246	100.0
60.01587	1.2
70.29310	0.5
70.29698	0.6
71.01250	4.2
72.81030	0.3
73.02822	1.2
83.01305	0.4
85.02824	1.2
87.00814	0.3
89.02323	1.3
90.45552	0.2
92.48855	0.3
93.88658	0.3
95.01272	0.5
99.00757	0.5
101.02319	2.0
113.02342	2.0
119.03390	0.7
121.06628	0.2
161.04500	0.9
166.50885	0.3
232.87448	0.3
329.14063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
59.01250	100.0
60.01590	1.0
71.01254	4.8
72.99208	0.3
73.02820	1.9
83.01265	1.0
85.02826	1.9
87.00771	0.5
89.02319	1.7
95.01260	0.4
99.00767	0.3
101.02331	3.0
109.42490	0.3
113.02316	2.8
117.03335	0.6
119.03373	0.6
119.04923	0.7
120.99265	0.2
121.02857	0.4
125.02328	0.4
132.02061	0.6
133.02905	0.3
134.03595	0.7
135.04416	0.4
137.02396	0.4
145.02849	2.8
146.03195	0.6
151.03850	0.3
160.01549	2.3
161.02266	1.4
161.04482	1.0
163.03963	0.5
175.03903	2.5
176.04329	0.7
177.01820	0.3
179.03477	0.7
193.01466	0.4
193.05093	0.6
201.14934	0.3
235.45828	0.3
246.94698	0.3
254.08278	0.4
292.76508	0.2
381.22809	0.5
399.23782	2.0
400.24194	0.4
419.62021	0.3
432.43088	0.3
440.62238	1.3
441.12088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01227	1.6
65.57506	0.6
67.01441	0.7
67.01765	2.6
68.13007	0.7
68.21394	0.8
71.01242	0.9
71.10664	0.7
72.72350	0.7
73.92163	0.8
81.74172	0.7
82.25066	0.7
83.01251	1.0
83.04877	1.5
85.06462	2.5
93.03315	1.2
95.04913	1.7
96.95926	1.3
97.06448	2.8
101.36818	0.7
106.04107	1.3
109.02831	6.2
111.04414	0.8
119.04894	0.9
121.06502	6.1
122.03670	0.9
123.04402	3.2
123.08049	5.3
124.01595	1.2
124.05168	2.4
125.02319	2.9
125.05976	15.6
135.04387	1.5
137.02310	0.8
137.05971	0.9
138.06410	0.7
147.04379	1.3
147.11659	0.9
147.25076	0.8
148.05190	1.3
149.02278	0.9
149.09615	2.8
149.95538	0.7
150.03114	3.0
151.03920	1.4
161.02283	0.9
163.03902	5.3
164.04665	3.4
165.05437	1.0
165.09178	0.8
167.07056	7.7
167.10672	5.6
168.07425	0.7
173.09697	0.9
174.03171	0.9
177.01884	1.6
187.03906	1.0
188.04736	3.1
191.03381	2.0
191.10666	4.5
192.04131	3.7
193.08636	4.5
202.06351	0.8
216.04163	1.5
217.08604	3.5
229.32883	1.0
231.10178	1.8
235.09711	100.0
236.10075	9.1
256.70621	0.8
259.09698	13.0
260.10065	1.1
277.10706	3.7
279.08710	2.2
289.10849	1.5
311.91678	0.8
321.09760	1.2
357.63046	0.7
423.07214	1.2
441.13989	69.6
442.14407	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	441.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84523	0.4
54.64051	0.4
56.10955	0.5
57.03312	0.4
59.01252	3.9
59.76841	0.4
64.00131	0.4
69.31051	0.4
71.01258	3.9
71.53507	0.4
73.02798	0.7
82.70546	0.4
83.01251	1.1
84.22142	0.4
85.02818	1.6
89.02333	0.9
95.01256	0.6
97.02808	0.6
99.00742	0.5
101.02334	1.4
108.02049	0.6
109.02818	1.0
109.06465	1.7
111.00763	0.5
113.02331	0.9
121.02842	2.8
122.03629	0.9
124.01548	9.7
131.08571	1.0
133.06464	1.1
136.01534	0.5
137.02339	20.5
138.03181	2.5
139.03865	0.8
141.04054	0.4
149.02348	8.0
149.05957	0.8
151.03886	3.6
152.01039	1.2
152.04727	2.4
161.02261	0.6
163.03934	0.7
164.04846	0.4
164.08366	1.2
165.01839	1.8
175.02415	0.5
177.01875	4.4
177.05464	3.8
179.03407	0.5
190.28197	0.5
191.05531	0.8
191.07146	0.6
191.10721	0.4
192.07843	11.3
193.08191	0.9
205.04974	0.6
207.10202	100.0
208.10544	7.4
217.08688	0.7
235.09718	10.5
236.10030	0.6
239.23967	0.4
279.08752	0.9
369.15518	0.6
420.49106	0.5
441.13132	2.4
441.21851	4.0
442.22205	0.5
447.74942	0.4
450.11349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79090	2.6
57.76186	2.5
59.01245	3.7
59.95167	2.5
69.25514	6.3
69.25911	21.1
71.01249	3.4
82.14941	3.1
85.02852	4.7
138.57344	3.0
160.84129	23.1
161.04486	19.5
161.98421	3.2
162.83815	66.5
219.85674	2.9
223.47667	2.7
277.21719	100.0
278.22086	9.8
439.06155	9.5
440.05606	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Dictamnusine
Peak:m/z	Relative Intensity
50.39576	0.9
53.38781	1.0
57.03303	1.5
59.01247	10.5
69.34549	8.3
71.01272	2.3
81.03336	6.1
83.01261	6.4
93.03347	2.1
95.01315	1.5
95.04926	2.9
96.95896	2.8
106.00565	1.2
107.04893	1.3
111.04445	1.6
121.02907	1.4
122.03632	2.1
123.04433	4.0
124.01563	1.8
125.02339	1.7
134.03661	1.1
135.04443	3.5
137.02376	1.9
137.05991	1.8
138.03171	1.9
139.03960	2.0
149.09633	4.6
150.03133	1.3
163.03923	1.3
163.11218	2.2
164.04755	3.5
165.01811	1.6
165.09116	1.7
166.02576	2.5
167.03404	2.7
167.10704	1.1
179.03423	5.1
180.04237	4.2
191.03423	1.6
191.10707	7.2
192.04147	1.3
193.08653	11.7
200.74648	1.1
203.10794	1.2
205.04903	1.7
205.12292	4.5
208.03726	1.8
215.10759	1.3
233.11836	2.5
235.09734	32.2
236.10094	2.0
247.09717	5.2
249.11293	1.9
250.19363	1.1
265.10822	1.3
275.09351	1.9
277.10806	100.0
278.11136	8.5
289.10861	2.5
291.12473	1.6
307.11908	16.4
319.11871	7.1
343.11819	1.4
361.13065	1.7
439.15906	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	439.1611
Annotation	Taraxafolide
Peak:m/z	Relative Intensity
54.69833	0.9
55.01753	1.6
57.03316	2.1
58.00460	2.8
59.01249	65.7
61.98709	4.9
63.75341	0.9
69.41006	3.2
69.41429	2.8
71.01251	40.0
72.01556	1.2
72.99172	3.7
73.02830	2.3
78.95776	1.4
81.03326	2.3
83.01237	2.8
83.04906	2.1
84.01962	0.8
85.02821	7.5
87.00731	3.5
89.02315	32.9
94.68851	0.9
95.01270	2.3
95.43100	1.0
96.95891	3.0
96.96835	1.2
99.00755	2.1
101.02319	23.1
113.02327	14.1
119.03381	15.6
119.04813	1.4
123.04422	0.8
131.03374	1.1
135.04391	1.1
137.02335	3.7
139.03943	1.5
143.03427	1.5
145.10101	2.6
147.72478	1.0
149.02376	1.0
151.00278	2.2
151.03941	1.1
156.19217	1.1
158.07306	0.8
161.04509	1.8
163.03891	1.8
165.01839	10.6
166.02597	3.2
171.08041	1.3
175.03819	1.3
175.07674	1.0
175.83388	0.9
179.05487	2.2
181.01401	1.2
183.02852	1.0
187.07585	1.1
189.05472	2.5
191.03412	2.7
201.05513	2.1
201.09161	1.4
203.07016	3.2
212.04774	0.9
215.07156	1.2
216.07942	1.5
217.08659	11.8
218.05791	2.6
218.09106	1.6
219.06509	2.3
221.04533	3.3
227.07185	6.5
231.06622	6.7
232.07303	3.0
233.08147	1.1
235.13310	1.3
244.07396	19.4
245.08145	60.2
246.08755	9.2
259.09753	15.9
260.10199	1.8
262.08444	50.4
263.08765	5.1
277.10806	100.0
278.11130	8.5
357.04739	0.8
394.76025	0.9
421.31711	2.8
424.13745	25.1
425.13940	2.4
439.16083	94.7
440.16415	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	437.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	29.3
65.66692	28.5
135.45667	24.1
141.04860	26.7
145.91991	32.3
186.84364	31.6
206.59476	29.4
268.80057	29.1
345.24399	64.9
363.25354	100.0
464.29626	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28254	0.3
69.92773	1.2
70.56951	0.3
71.01250	0.4
78.95773	46.4
79.95610	1.5
96.95890	58.9
96.96832	100.0
97.95824	0.3
98.20592	0.3
104.26538	0.4
106.94847	0.3
132.92059	0.3
133.66780	0.4
205.50146	0.3
212.18901	0.3
241.00203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.8
65.03828	1.1
67.01754	4.1
69.03327	4.7
71.01266	2.0
71.04897	0.8
71.52991	0.8
73.02830	0.9
75.00764	0.8
79.05412	3.2
79.66844	0.8
85.02825	2.2
89.02309	0.8
93.03326	0.8
96.95876	0.9
99.04395	1.8
101.02328	0.8
107.04914	1.4
108.02043	5.4
109.02843	5.2
111.00723	1.0
113.02303	0.8
113.89512	0.7
117.06983	0.9
119.04876	0.8
121.02840	3.9
122.03646	9.2
125.02332	13.2
127.03919	3.7
128.06213	1.3
130.79893	0.8
133.06441	0.9
134.03593	1.1
135.04407	2.8
136.01547	7.3
137.02321	1.4
137.06013	1.0
139.00255	4.3
141.07018	0.9
143.08571	4.1
145.06419	0.9
147.04408	1.5
149.02356	19.2
150.03139	24.2
151.03873	0.8
152.01114	0.8
153.01846	25.6
154.02455	2.5
156.00545	1.6
159.08052	2.1
161.05994	8.7
161.09497	0.8
162.03235	1.8
163.03909	1.6
167.03369	1.1
169.01367	1.7
171.02974	1.4
171.08049	4.2
172.05263	1.7
173.06024	2.4
175.03966	2.4
175.07579	2.0
176.04623	0.8
176.08325	3.1
177.01852	8.0
177.05516	0.9
178.02583	6.4
187.07591	8.6
188.07898	0.7
189.05510	33.2
189.09109	1.3
190.06107	3.9
200.04739	3.4
203.07088	5.9
204.07861	11.2
205.08644	52.0
206.08940	3.5
213.05528	1.3
213.09222	1.1
214.06213	1.2
215.07089	13.6
217.05106	1.3
231.06654	2.1
232.07381	36.0
233.08153	86.8
234.08490	6.8
237.07716	0.9
275.09277	1.5
276.06415	7.3
277.06757	1.2
365.45187	0.9
379.06094	0.8
393.85559	0.8
395.13467	52.2
396.13849	5.6
439.12436	100.0
440.12766	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	439.1245
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
50.07116	0.5
53.43920	0.6
56.53522	0.6
59.01240	1.6
59.22023	0.5
61.98709	0.9
71.01250	0.9
85.06461	0.8
87.04395	5.3
93.03382	0.8
98.82649	0.6
103.33997	0.5
103.74673	0.5
109.02832	0.9
119.04901	1.5
121.02875	0.8
123.00762	1.9
125.02339	2.5
125.05943	1.4
133.02875	0.7
134.03592	1.5
135.04414	1.9
137.02286	0.7
139.03896	0.6
147.08003	0.6
148.01566	4.1
149.02361	1.1
151.00171	0.7
151.03893	1.0
156.06622	0.9
161.02371	7.4
161.09651	1.2
162.03131	12.6
163.03914	10.9
164.04416	0.6
176.54164	0.6
177.09094	0.7
187.07520	1.5
189.01793	1.0
189.09129	2.2
190.02644	13.4
191.03108	0.9
191.06998	0.7
198.55875	0.5
200.48151	0.7
205.08607	6.2
215.07045	5.0
218.05841	0.6
232.07332	1.1
233.08151	100.0
234.08484	7.6
238.19484	0.6
246.39479	0.6
257.08215	1.3
276.06369	0.8
277.07175	2.6
278.07715	0.7
386.87674	0.7
439.12427	67.2
440.12878	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	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
59.01246	1.9
65.00184	0.5
67.57822	0.2
69.38454	0.4
69.38866	1.0
71.01244	0.4
78.95792	0.2
81.03326	1.6
83.01253	4.6
83.01714	0.2
89.02335	0.2
96.95865	0.4
96.96811	0.3
101.02351	0.2
107.04868	0.2
107.08535	0.6
108.02032	0.2
109.02812	0.2
109.06468	2.3
115.60768	0.2
119.04935	0.2
121.02848	0.3
122.03616	0.2
123.04416	2.9
124.01537	0.8
125.02323	0.5
125.09614	0.9
133.06468	1.5
135.04391	0.2
137.02312	0.6
138.03175	0.3
147.08052	0.3
148.05249	0.4
149.02330	0.4
149.09608	3.4
150.03090	0.5
150.09935	0.3
151.07570	1.4
152.04831	0.2
153.05560	0.3
160.01576	0.3
161.02441	0.3
164.04692	1.7
166.02640	1.3
167.03419	0.2
175.03876	0.3
175.07579	0.5
176.01031	0.5
176.08321	0.7
177.01807	0.5
179.03432	2.2
180.04187	2.3
189.09175	0.3
191.03391	2.6
191.10710	10.5
192.04192	3.5
192.11015	0.6
193.08632	11.9
194.09013	1.0
205.04988	0.4
217.08633	1.0
219.06546	1.9
220.07291	0.3
231.10170	0.6
235.09711	100.0
236.10049	7.8
259.09763	1.4
277.10739	1.5
340.27490	0.2
359.11325	1.4
396.72278	0.2
439.16080	1.1
439.21341	0.3
453.56512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20156	0.6
59.01248	20.4
61.98695	4.5
70.29781	2.0
71.01248	2.1
72.99156	0.8
79.95605	37.9
80.96374	4.7
85.02813	1.0
93.03323	1.0
95.98641	0.7
96.91248	0.7
96.95870	4.3
107.13751	0.6
108.02058	0.8
109.02855	1.3
119.04921	1.3
121.02859	4.6
122.03606	2.3
123.00724	1.1
123.04424	0.8
125.02344	0.9
134.03709	0.7
135.04420	1.2
136.01558	59.1
137.02260	2.6
149.02357	0.9
149.05966	1.0
151.03912	83.5
152.04250	4.1
159.04430	1.0
160.05188	1.6
161.02345	1.1
162.03159	1.5
163.03902	3.5
174.03976	0.7
175.03821	0.6
177.05518	1.9
179.03392	1.6
189.05600	0.8
215.07016	1.8
237.69008	0.7
275.09277	0.8
283.02835	0.7
284.03491	0.6
327.08826	1.1
342.11029	10.7
343.11298	1.1
357.06232	1.2
357.13406	17.0
358.13763	2.3
422.06610	0.8
437.09094	100.0
438.09402	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	437.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.8
65.00196	0.4
71.01257	3.1
72.99181	0.5
79.80883	0.3
83.01261	0.4
85.02821	0.7
89.02313	2.6
93.03323	0.5
95.01298	0.3
99.70779	0.3
101.02343	1.1
113.02324	1.3
119.03419	1.1
132.58987	0.3
137.02354	0.9
138.88940	0.3
151.00351	0.4
157.06497	6.2
158.06842	0.4
159.04431	0.6
165.97226	0.8
170.03613	1.4
184.05167	0.4
185.06001	4.5
186.06378	0.4
198.03149	4.1
203.07101	1.6
212.04695	3.1
213.05504	100.0
214.05840	7.4
215.07272	0.4
236.39061	0.3
241.68457	0.3
257.04526	76.4
258.04874	5.4
418.31720	0.3
437.09500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.9
60.21342	0.7
67.01753	1.9
68.99665	0.9
71.01265	1.3
71.53018	1.1
78.57165	0.7
78.95777	0.7
83.68520	0.8
85.02823	2.0
89.02267	0.7
120.02062	0.7
123.00832	1.1
125.02386	0.8
129.06990	0.9
131.08528	2.0
135.04469	0.8
136.48541	0.7
143.04903	3.2
147.00781	2.3
148.01593	1.0
149.20183	0.7
151.00218	1.3
157.06517	3.4
158.07210	1.1
159.04459	3.4
161.02356	1.2
165.01819	0.8
173.05992	4.4
174.06801	1.0
175.00320	1.0
175.03949	1.6
175.07484	0.9
176.01071	45.2
177.01445	2.2
185.02367	2.3
185.06046	4.4
187.03880	4.8
188.04570	0.8
189.01845	5.5
190.02394	0.7
201.05527	5.6
201.11189	1.7
202.06171	1.3
203.03421	7.3
203.07056	7.3
204.03825	1.1
208.00136	1.3
211.04034	1.5
212.04739	6.4
213.02095	0.8
213.05530	4.8
215.03429	32.5
216.03905	3.9
217.04903	1.0
229.05031	16.0
230.05794	85.9
231.06522	37.4
232.06950	2.6
247.02422	1.8
274.04822	91.4
275.05145	6.3
276.39334	0.7
277.74219	0.7
367.06717	1.8
393.11865	17.7
394.12305	1.4
437.10864	100.0
438.11209	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	435.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37384	0.4
60.02966	0.3
64.60966	0.4
71.29414	0.5
77.14407	0.4
87.60645	0.4
107.04795	0.4
121.02839	0.9
132.01999	0.4
133.02832	12.4
134.03636	8.9
135.04411	39.0
136.04716	1.4
137.02332	8.0
139.03894	2.0
150.03064	1.0
161.02342	25.3
162.02689	0.8
178.02605	3.2
179.03413	18.5
180.03766	1.1
198.47887	0.4
213.82498	0.4
224.02225	0.4
240.88785	0.4
435.27466	100.0
436.27802	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
61.98702	0.4
63.44378	0.3
65.17113	0.2
71.08101	0.4
111.00749	0.4
121.02838	1.1
132.02058	0.3
133.02841	15.8
134.03654	7.4
135.04417	16.7
136.04738	0.9
137.02342	5.8
139.03915	1.7
146.17065	0.3
150.03116	0.6
152.26440	0.2
152.99471	0.3
156.19122	0.3
159.23637	0.3
161.02347	26.1
162.02664	1.5
178.02638	1.0
179.03418	7.4
180.03743	0.3
280.43295	0.3
417.22754	0.4
435.27460	100.0
436.27805	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	437.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	14.2
58.03648	0.3
59.01249	6.1
65.00198	0.9
69.69763	1.5
71.01256	1.9
79.95605	0.7
81.03324	1.9
83.01253	5.1
85.02814	1.0
89.02311	1.3
89.42744	0.3
93.03337	0.3
95.01225	0.4
101.02324	0.8
107.01256	1.1
109.02826	0.6
113.02327	0.8
120.99486	0.4
121.02869	0.4
124.01559	1.3
125.02334	100.0
126.02670	3.5
135.04422	0.4
137.02336	0.4
151.00278	2.9
151.03973	0.4
151.99280	1.2
152.01050	3.3
153.01802	0.5
154.00761	0.6
163.99275	5.1
164.99796	0.3
167.01584	0.4
178.00897	0.4
178.99796	2.3
179.01654	4.1
179.98766	7.1
180.00250	0.6
180.99229	0.4
187.13301	0.5
188.04816	0.3
195.01143	4.9
198.03293	0.4
203.01700	0.4
203.07175	0.5
206.00394	1.1
207.98328	2.2
213.05490	5.0
221.02708	1.7
223.00682	4.8
230.00398	0.4
231.06467	0.6
231.98343	0.7
232.99211	0.3
233.08081	1.5
239.03481	0.6
246.03511	0.3
247.00587	0.6
248.01436	0.9
255.03214	0.6
257.04541	0.5
263.03867	1.4
265.01779	0.5
272.01492	0.7
282.01721	2.0
283.02469	3.7
287.03833	0.5
288.01041	0.5
297.04031	8.9
297.07321	0.6
298.04300	1.0
305.04953	3.3
309.07727	0.7
312.10110	0.6
316.00415	1.8
324.10239	0.5
327.12354	1.0
331.02805	18.0
332.03220	1.7
339.12265	0.3
349.03976	3.0
419.04297	1.8
437.05426	10.9
437.10858	8.8
437.20016	0.5
438.05811	1.3
438.11243	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31807	1.1
55.66125	1.0
57.03311	2.3
59.01244	5.1
61.98703	100.0
69.59969	5.3
85.72504	1.0
90.25667	1.2
123.04450	1.2
124.01560	4.1
124.87646	1.0
131.83475	1.1
133.06514	1.6
143.02179	1.1
151.03998	1.2
151.07655	1.8
152.58347	1.1
164.69740	1.2
175.03937	2.3
175.74016	1.2
176.01028	1.3
177.01872	7.5
184.45622	1.4
193.08629	22.8
216.60095	1.3
219.06464	4.0
221.08051	2.2
247.06129	3.5
254.48851	1.2
256.03729	2.1
267.10242	1.4
306.07474	1.5
343.12030	2.0
353.10318	15.3
354.10635	1.5
371.07010	1.9
371.11386	23.1
372.11630	2.3
384.51407	1.3
439.81671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85390	0.3
58.50882	0.3
59.01250	5.7
64.26249	0.3
65.00198	1.6
69.72955	1.3
71.01238	0.6
83.01270	0.9
85.02829	0.9
93.03331	2.1
97.02808	0.4
98.19769	0.4
101.02368	0.6
107.01283	2.8
108.02066	1.7
109.02854	1.0
113.02321	0.4
114.62231	0.3
118.39024	0.3
120.99551	1.5
124.01534	0.9
133.02792	0.4
135.46068	0.3
137.02344	2.7
151.00284	6.1
152.01073	2.3
153.01822	0.9
161.02347	1.4
165.00079	0.4
167.03516	0.4
179.03371	0.3
179.98793	5.9
180.99603	0.5
191.01929	0.3
195.01140	1.2
195.98312	3.0
199.03897	0.8
202.02654	0.4
203.03419	0.5
215.03322	0.6
216.04202	0.6
226.02646	0.7
227.03357	2.0
242.02245	0.9
243.02879	1.0
270.01648	1.8
271.02475	6.3
272.03229	4.0
273.07565	0.5
285.03973	2.3
287.00104	0.5
297.06149	0.5
298.01157	0.9
299.01978	7.5
300.02615	2.8
305.58047	0.4
313.03534	11.1
314.03937	1.2
315.04980	4.9
315.07922	0.5
317.01279	1.4
330.99173	34.1
331.99930	77.5
333.00269	7.0
347.02286	100.0
348.02585	10.4
415.12097	0.3
435.03830	6.5
435.09256	2.1
435.22495	0.5
436.04153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18483	0.3
57.33701	0.3
59.01240	0.8
61.98669	0.4
69.47168	1.9
76.71690	0.3
78.07732	0.3
82.11315	0.2
93.03331	0.8
98.20562	0.4
99.38916	0.3
106.04140	0.6
107.04905	0.5
111.00768	0.4
121.02824	1.5
132.02074	0.6
133.02847	16.0
134.03644	11.6
134.04657	0.6
135.04411	48.4
136.04744	2.3
137.02338	10.3
138.02705	0.3
139.03917	3.6
142.29420	0.3
149.02338	0.4
150.03108	1.0
161.02348	30.5
162.02672	2.0
178.02635	3.1
179.03412	23.0
180.03752	1.6
184.85033	0.3
345.48737	0.3
429.94928	0.3
435.27469	100.0
436.27805	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	433.114
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
52.65588	0.7
57.03337	1.0
58.00444	0.7
59.01249	63.3
59.03473	0.7
59.22223	0.8
65.00187	2.5
68.99707	1.2
69.03325	1.7
70.38197	0.8
71.01250	7.8
75.00720	0.9
81.00449	0.8
81.03318	2.1
83.01265	3.4
85.02814	2.4
89.02306	5.6
93.03336	4.1
95.01257	1.6
97.02802	3.0
99.00708	0.9
101.02323	3.4
105.03332	1.6
107.00632	0.7
107.01233	5.2
109.02843	1.1
113.02314	3.0
116.39652	0.8
117.03378	0.8
119.03374	3.1
119.04913	29.6
120.05248	1.1
121.02824	5.6
123.00770	1.3
123.04405	1.3
125.02321	11.3
135.00703	1.0
135.04398	1.3
137.02312	4.2
139.03893	0.9
143.04915	2.7
145.02803	2.4
149.02359	5.6
151.00290	11.1
151.03952	1.3
153.01726	0.8
155.03326	1.1
161.02318	1.0
161.04491	1.3
161.05905	1.5
163.00226	4.3
163.03836	1.2
164.01015	1.0
165.01859	9.0
167.03413	3.1
177.01820	2.5
179.03360	1.7
179.05453	0.9
182.17339	0.8
185.05960	2.1
187.03917	2.3
188.31958	0.8
191.03413	2.0
193.01346	25.1
194.01701	1.4
199.07593	1.3
205.01328	1.9
207.02835	1.4
215.41130	0.8
219.02853	2.0
223.02382	3.5
227.07121	1.1
243.06522	0.8
245.08064	1.1
257.22015	0.8
258.48477	0.8
269.08273	1.1
271.06088	9.4
283.06128	2.7
313.07166	100.0
314.07501	9.7
325.07108	1.9
326.07446	1.1
343.04187	1.8
343.08200	25.0
344.08557	3.1
415.10220	2.1
432.72845	0.9
433.06445	1.2
433.11542	13.8
434.11407	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	2.1
65.00205	0.8
67.94278	0.7
69.38363	4.4
71.01259	3.6
83.01238	0.7
85.02824	1.6
87.29072	0.6
89.02325	2.7
95.01264	0.8
101.02330	2.4
107.01273	1.2
108.02063	0.6
109.02827	1.2
113.02326	1.9
121.02857	0.9
125.02324	0.9
137.02350	0.7
151.00273	3.1
161.04475	0.8
163.00288	0.9
165.01839	6.9
165.38535	0.6
166.02174	0.6
178.99791	2.3
226.02547	0.9
227.03322	1.3
243.02974	5.0
254.02275	1.3
255.02979	9.2
256.03394	1.4
271.02478	23.2
271.05978	3.1
272.02960	3.0
296.24069	0.6
300.02737	31.6
301.03464	20.1
302.03732	2.5
319.89203	0.6
433.07565	20.8
433.24094	1.7
434.07867	3.1
434.24075	0.7
444.28552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	1.3
69.03341	0.4
69.19161	2.7
70.90695	0.3
71.01255	2.7
73.02821	2.0
79.64282	0.3
81.03291	0.4
81.67025	0.2
83.01269	1.0
85.02841	1.1
89.02318	1.7
94.14451	0.3
95.01303	0.3
98.19855	0.7
101.02333	2.5
111.36385	0.2
113.02364	1.2
119.03407	0.4
125.02370	0.8
151.00314	0.3
161.04533	0.7
167.03456	1.0
179.05646	0.3
197.04474	0.3
197.11795	0.3
229.05084	0.6
232.48494	0.3
271.06146	1.9
313.16495	0.3
331.17679	0.3
373.18857	0.5
433.24963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01249	100.0
60.01585	1.1
71.01257	1.3
71.26270	0.3
83.01292	0.3
85.02837	0.8
89.02319	0.8
93.87534	0.3
95.01283	0.4
101.02328	0.7
107.01247	0.3
109.02859	0.4
111.00828	0.4
113.02341	1.0
119.03437	0.3
125.02325	1.7
126.02704	0.4
147.04391	0.3
151.00281	0.6
151.03943	0.4
161.02351	0.5
163.44427	0.3
229.05168	0.5
249.06253	0.4
257.04477	4.4
271.06232	0.7
433.17047	0.6
441.43918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01243	0.5
59.60879	0.4
68.14703	0.4
71.10479	0.5
106.04160	0.5
107.04910	0.8
110.34535	0.4
121.02853	1.3
132.02043	0.6
133.02853	20.5
134.03651	12.1
135.04419	50.1
136.04765	2.8
137.02345	10.5
138.02684	0.7
139.03889	2.8
150.03081	1.2
161.02350	36.3
162.02704	2.1
178.02626	2.5
179.03415	23.3
180.03740	1.2
318.14569	0.4
370.74915	0.5
407.02423	0.4
418.82431	0.4
433.25928	100.0
434.26294	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	433.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01115	0.4
55.01751	1.3
57.03313	0.9
58.00448	1.5
59.01251	34.8
71.01254	19.4
72.99184	1.5
73.02812	0.9
78.95770	2.4
80.96223	0.5
83.01271	2.2
85.02816	5.0
86.46732	0.4
87.00745	1.9
89.02318	15.4
95.01250	1.3
98.19813	1.2
99.00770	0.5
101.02322	12.9
113.02333	6.3
119.03387	5.3
143.03426	0.5
152.31682	0.4
152.99481	3.1
153.99789	0.8
154.99899	1.3
217.21413	0.4
223.20605	1.4
225.22180	33.1
226.22522	2.9
239.23715	0.8
253.21677	5.0
255.23183	1.2
267.23288	2.7
271.22778	43.9
272.23077	4.1
308.09692	0.4
313.23740	0.9
433.28036	100.0
434.28360	16.4
434.34387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58594	0.5
59.01245	1.6
61.98701	100.0
70.03591	0.9
70.03947	1.9
72.96144	0.6
83.04381	0.5
98.20469	0.6
109.00349	0.6
133.02835	2.7
134.03658	1.4
135.04422	9.3
137.02390	1.5
147.62947	0.5
161.02353	4.6
179.03464	2.3
202.75066	0.6
204.36374	0.5
233.08238	1.6
369.13544	1.9
410.84927	0.6
431.24576	0.6
432.24481	1.2
433.25983	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0923
Annotation	2,3'-Dimethoxyisodiospyrin
Peak:m/z	Relative Intensity
59.01255	3.5
61.98690	0.5
63.02251	0.5
65.00169	1.5
66.56081	0.4
69.03323	0.4
71.53390	0.5
74.02328	1.0
78.95740	0.4
83.01235	1.2
85.02808	0.5
107.01265	3.1
121.02792	0.5
122.05981	0.7
124.07523	0.9
132.02049	0.6
133.02841	12.0
137.02324	1.5
148.03911	1.3
149.02322	2.0
151.00255	8.4
168.06599	0.5
171.04391	0.7
174.17763	0.4
175.03920	4.3
177.01846	0.5
189.05453	0.4
198.03119	1.0
199.03905	3.7
201.01837	1.1
201.35666	0.4
209.11641	0.5
211.26329	0.4
213.05408	0.8
215.03401	0.7
217.05090	2.4
223.04092	0.7
226.02672	0.5
229.18120	0.5
240.04367	0.4
241.04950	1.1
243.03006	1.9
255.02954	6.0
256.03738	10.8
257.04132	1.3
267.02841	0.6
273.12421	1.0
281.04523	1.2
282.05338	0.5
283.02475	7.5
284.03229	29.3
285.04013	100.0
286.04367	9.5
291.13568	0.7
335.12512	1.5
353.10199	3.3
354.10788	0.7
373.22141	0.4
374.07724	0.4
375.05045	0.6
389.06564	0.4
390.07336	0.8
391.23630	0.4
433.09277	70.7
433.24759	1.2
434.09607	11.7
434.18542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01253	11.2
61.98683	0.4
62.66238	0.3
63.02272	3.2
65.00198	8.9
70.17255	0.7
71.01264	1.1
78.95795	0.6
79.14750	0.3
83.01257	5.0
85.02836	0.3
89.02335	0.7
93.01917	0.4
93.03339	9.1
93.10829	0.4
94.03632	0.5
98.20517	0.4
101.02338	0.6
107.01275	16.1
108.02090	0.5
109.02862	0.5
113.02385	0.3
117.03347	0.4
119.04919	50.0
120.05264	2.3
121.02844	0.4
123.00719	0.4
124.01578	0.4
125.02322	1.4
131.01315	0.6
135.00781	0.3
135.04436	1.3
136.01582	0.7
136.69305	0.3
137.02341	0.7
143.04965	0.5
145.02869	1.1
147.14293	0.3
149.02321	0.7
151.00278	49.0
152.00569	1.5
161.06007	0.7
163.00336	0.4
164.01114	0.8
165.01881	2.9
169.01328	2.0
175.00264	1.7
177.01842	6.1
178.02290	0.5
185.06047	1.0
187.03961	1.2
193.01340	0.8
197.11870	0.4
205.01466	0.4
227.07057	1.0
228.92540	0.3
229.04945	0.4
271.06122	100.0
272.06454	8.3
285.04156	0.5
295.06104	1.8
313.07260	1.9
433.11139	1.2
434.11856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65304	0.4
62.18317	0.4
70.29407	1.4
73.20852	0.4
78.95773	52.7
96.96840	6.3
117.03393	0.4
121.02861	1.1
133.02847	15.1
134.03648	8.8
135.04413	32.6
136.04742	1.3
137.02350	6.0
139.03891	1.8
150.03140	0.4
150.97946	1.7
152.99486	100.0
153.99794	1.9
161.02347	28.8
162.02742	1.4
171.00549	4.1
178.02650	1.5
179.01836	0.7
179.03416	14.5
231.84981	0.4
277.21896	0.5
301.75543	0.4
431.24402	56.2
432.24731	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	431.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01688	0.9
57.03269	0.6
58.00388	1.1
58.00645	0.3
59.01175	26.2
59.01655	0.9
59.67487	0.3
60.01520	0.5
69.36581	1.7
70.62299	0.3
70.75224	0.3
71.01173	14.6
71.01605	1.0
72.99108	1.2
73.02734	1.4
78.95699	0.4
83.01259	1.5
84.01973	0.7
85.02823	4.1
87.00736	1.5
89.02316	12.1
95.01180	1.2
101.02322	10.0
101.02930	0.5
113.02321	5.2
114.02590	0.4
119.03376	3.8
119.04763	0.5
133.02840	3.9
134.03653	1.6
135.04408	9.1
136.04681	0.5
137.02330	1.7
139.03822	0.5
145.02861	1.3
161.02333	7.5
162.02609	0.3
162.46762	0.3
163.03818	0.3
178.02557	0.4
179.03409	4.0
179.05035	0.5
223.20581	6.5
224.20956	0.8
246.02084	0.3
251.20143	3.7
252.20547	0.3
253.21692	0.8
265.21747	1.0
267.19568	0.4
269.21194	37.4
270.21564	3.6
311.22253	1.1
431.26514	100.0
432.26892	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	432.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42069	2.8
58.00289	2.9
59.01234	7.8
61.98377	5.4
61.98698	100.0
71.00684	6.1
121.02839	5.5
123.72906	2.7
133.02835	14.9
133.06470	9.6
134.03613	4.0
135.04405	17.3
161.02310	30.9
175.07582	3.5
179.03392	6.2
207.09338	3.8
212.31839	3.0
217.70837	2.7
219.06615	18.3
247.06085	3.2
271.19263	3.3
369.05188	4.6
369.09781	66.0
370.10025	9.9
433.21500	8.4
433.25858	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44912	0.3
59.01252	100.0
60.01585	1.3
69.21754	0.8
69.22160	1.9
71.01251	6.5
72.99197	0.5
73.02831	1.4
75.00737	0.7
83.01296	0.5
85.02818	2.4
87.00777	0.8
88.98762	0.3
89.02314	5.3
89.02822	0.3
93.03365	0.8
95.01276	0.7
99.00767	0.8
101.02326	3.3
111.00810	0.4
113.02338	3.2
119.03383	2.5
125.02380	0.3
137.02417	0.7
137.09680	0.4
141.40207	0.3
143.03424	0.7
161.04446	1.7
163.04126	0.3
173.04419	0.4
179.05566	0.8
179.36168	0.3
191.05585	0.7
201.67769	0.3
224.85596	0.3
249.06229	1.0
265.50565	0.3
267.07281	0.7
269.17673	0.5
381.14331	0.4
393.20309	0.3
430.81299	0.3
431.10132	0.5
431.15521	1.2
431.22949	1.4
441.66437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31732	0.3
55.58706	0.3
56.09719	0.3
65.28258	0.3
69.37047	1.4
69.37454	0.6
70.03096	0.3
71.20779	0.3
78.90845	0.3
78.95776	3.0
93.03338	0.4
96.96844	0.4
105.03340	0.5
105.83508	0.3
106.04130	0.4
111.00787	0.4
112.73862	0.3
117.03361	0.6
121.02839	1.7
132.02068	0.7
133.02853	21.2
134.03654	12.0
135.04417	50.3
136.04718	2.0
137.02344	9.2
138.02689	0.5
139.03917	3.0
150.03139	0.9
152.99481	6.7
161.02353	43.8
162.02692	2.4
171.00572	0.5
178.02664	2.8
179.03424	23.4
180.03726	1.3
223.26500	0.3
350.75787	0.4
431.24362	100.0
432.24725	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09845	0.3
57.03320	0.5
58.00452	0.5
59.01251	100.0
59.26017	0.4
60.01591	1.7
60.12363	0.3
65.54844	0.4
69.03336	0.4
69.40687	0.7
69.41083	2.9
71.01257	7.3
72.99189	0.4
73.02823	1.4
83.01270	0.8
84.40158	0.3
85.02829	2.9
85.71088	0.4
89.02316	5.7
95.01278	0.7
97.02834	0.6
98.19823	0.8
99.00782	0.6
101.02334	3.5
105.01819	0.6
113.02337	3.7
119.03431	2.5
125.02353	1.4
137.02371	0.6
143.03394	0.4
151.00298	0.4
151.03972	0.7
155.05119	0.3
161.04485	2.5
163.00259	0.4
169.01375	0.4
179.05597	1.2
218.49101	0.5
269.04651	1.0
285.03842	0.5
305.95883	0.4
311.05609	0.6
371.20819	0.8
401.14886	0.4
431.23349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52418	0.4
57.03323	0.6
59.01249	100.0
60.01587	1.0
61.98730	0.5
67.01759	0.4
69.03337	0.7
69.23544	4.0
71.01244	7.7
73.02830	1.5
77.28779	0.4
79.70399	0.4
83.01264	0.9
85.02808	2.4
87.00751	0.7
88.98692	1.5
89.02321	3.8
93.03332	0.5
97.02812	0.6
98.19782	1.1
99.00764	1.5
101.02320	4.6
105.01804	0.5
113.02366	2.8
119.03408	2.0
119.04836	0.5
135.04439	1.6
143.03410	0.6
145.02934	0.4
151.00267	1.3
151.03827	0.6
161.02463	0.5
161.04503	2.7
165.12839	1.0
179.05560	0.8
186.47977	0.5
209.15457	0.9
255.03091	0.8
256.03339	1.1
269.14041	1.3
284.03091	1.8
285.04056	3.5
311.05643	0.9
371.20709	1.0
384.72211	0.5
431.09567	3.5
431.22748	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	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.30480	0.3
62.96308	0.3
69.35020	1.6
74.88107	0.2
78.95773	56.5
79.25137	0.3
81.63448	0.2
89.75156	0.3
94.51138	0.3
94.56147	0.3
96.96270	0.5
96.96841	6.3
98.19810	0.6
150.97906	1.9
152.99486	100.0
153.99875	1.6
171.00560	3.8
241.59781	0.3
277.21765	0.6
431.21902	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	431.0985
Annotation	Vitexin
Peak:m/z	Relative Intensity
57.03313	0.6
59.01250	7.6
65.00179	0.7
66.03624	0.4
67.95229	0.4
69.03328	0.5
70.06292	1.3
71.01248	2.2
72.99140	0.5
76.58732	0.4
77.03819	3.2
79.01761	1.8
84.42487	0.5
85.02798	1.3
88.98687	0.4
89.02303	1.6
93.03329	3.7
97.14401	0.4
98.19856	0.7
101.02296	1.4
105.03346	1.5
107.01275	0.8
109.02821	0.7
113.02323	1.2
115.65877	0.5
117.02576	0.9
117.03350	14.1
118.03658	0.7
119.03371	0.7
119.04881	1.5
121.02841	4.7
123.04421	0.9
125.02312	1.2
133.02852	0.9
135.04396	3.4
135.66133	0.4
137.02321	0.8
145.02863	1.0
147.04385	0.6
148.01457	0.7
149.02362	2.6
151.00256	0.5
151.03848	0.4
158.03568	0.4
159.04384	2.7
161.02364	5.3
163.03914	5.2
164.00838	0.5
165.01813	1.2
171.04468	0.6
175.00279	0.6
175.03914	0.7
177.01782	0.7
179.03438	1.2
183.08188	0.6
187.03725	0.5
189.01889	0.5
191.03444	1.5
193.01295	1.0
196.05197	0.7
197.05975	1.1
203.03476	1.2
209.05933	0.5
211.07584	1.1
224.04810	1.0
225.05478	1.2
239.07101	2.2
241.05037	0.4
268.03839	3.2
269.04504	4.4
281.04578	3.8
282.05304	2.8
283.06119	63.2
284.06454	5.3
285.04044	1.5
293.04453	2.2
295.06064	1.7
309.03998	0.8
311.05603	100.0
312.05988	10.4
323.05597	5.0
341.06650	11.0
341.10724	0.7
342.07285	0.8
350.91592	0.5
353.06729	1.2
414.40866	0.5
431.09839	55.8
432.10251	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19578	0.9
57.03316	1.4
57.13688	1.1
59.01251	94.3
60.01581	1.8
61.98688	1.4
62.37583	1.1
69.45598	6.1
71.01257	12.8
72.99196	1.2
73.02810	3.0
73.51807	0.9
73.57642	1.0
83.01258	2.0
85.02810	4.3
87.00733	1.1
88.89787	0.8
88.98696	2.3
89.02331	5.3
93.03316	2.7
99.00755	1.8
99.04393	1.3
101.02344	6.2
107.01273	1.3
109.02854	1.5
111.82039	1.0
113.02333	4.5
119.03367	1.4
125.02320	2.6
127.50443	1.0
135.00754	2.4
137.02319	2.2
151.00264	1.5
153.01819	1.6
161.04504	4.6
163.00223	2.7
165.01848	1.3
167.04753	1.2
183.04462	2.0
185.06000	2.1
186.06233	1.0
187.03867	2.1
192.04173	1.6
195.10196	3.2
207.06474	1.7
207.13786	1.2
211.03888	3.5
214.02652	1.2
220.88284	0.9
227.03448	43.9
227.06770	5.3
228.03790	4.2
229.05067	9.5
230.05389	1.5
239.03435	1.7
240.04169	1.1
251.12888	8.3
255.02972	62.5
256.03525	10.3
257.04575	6.2
283.99997	1.5
284.03262	61.4
285.04013	100.0
286.04352	8.5
400.56403	1.0
431.09808	51.6
431.22775	4.2
432.10141	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.2
69.03345	0.9
69.30257	5.5
71.01250	7.2
73.02836	2.9
75.00758	1.1
83.01283	1.0
85.02814	1.6
87.00766	1.2
89.02333	2.6
91.39264	0.6
95.01228	0.8
96.78251	0.6
96.95912	0.8
101.02309	3.8
101.11208	0.8
106.06831	0.7
109.02874	1.1
113.02345	2.7
114.80317	0.8
125.02399	1.1
135.02644	9.1
137.09697	0.8
137.76295	0.7
153.01872	1.6
167.03526	0.7
179.01662	5.3
181.73756	0.6
189.12885	1.7
207.13928	2.0
225.15036	0.7
267.07309	1.0
297.03958	0.9
322.21182	0.8
356.49048	0.7
429.21313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43237	2.4
59.01241	10.6
61.12004	2.2
61.98700	27.2
69.98378	11.8
78.95759	3.6
83.88385	2.8
93.35944	2.9
126.60253	2.9
133.02856	17.9
135.04399	4.7
152.99483	4.8
161.02353	3.3
162.08875	2.7
185.85658	2.6
236.03755	3.0
311.05655	9.7
323.05576	7.1
367.11826	100.0
368.12259	14.6
393.40146	2.8
431.24329	9.1
431.33582	3.3
433.37775	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.2
59.01249	100.0
60.01581	2.2
69.03345	2.2
71.01251	32.2
72.99182	2.6
73.02828	3.9
83.01268	3.3
83.04869	1.0
83.39137	0.9
85.02814	11.3
87.00754	3.3
89.02316	27.1
95.01214	1.5
97.76831	1.0
98.20561	2.2
98.61673	0.9
99.00739	1.4
99.04398	3.6
101.02316	17.0
113.02337	12.8
114.02563	0.9
115.58466	0.9
119.03381	11.2
119.04875	0.8
123.11024	0.8
125.02373	1.2
129.01791	1.2
131.03336	1.5
133.02835	1.8
135.04431	2.8
137.02328	1.2
143.03369	1.5
148.50447	0.8
161.02385	5.0
161.04491	2.8
161.13290	8.5
179.03386	1.8
179.05530	2.6
187.11183	1.8
205.12268	18.6
206.12639	1.4
219.01083	1.0
249.11292	32.1
250.11676	3.5
267.07227	1.5
267.15811	1.1
272.06924	1.1
287.09241	2.7
297.30188	0.9
429.16962	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03323	5.7
58.00461	0.7
59.01250	100.0
60.01579	1.1
60.17754	0.5
61.98728	0.7
63.55966	0.4
68.99688	0.4
69.03342	0.7
69.47027	3.3
71.01254	15.0
72.99190	1.6
73.02817	2.8
76.78011	0.4
81.03339	0.5
83.01274	1.7
85.02821	4.9
87.00757	1.5
89.02315	11.8
89.02825	0.9
95.01283	1.0
97.02847	1.0
99.00784	1.7
99.04416	1.3
101.02318	9.1
101.02911	0.7
109.02865	0.9
110.10248	0.5
111.04413	0.7
113.02335	7.4
119.03383	4.1
121.02853	0.6
125.02374	1.4
131.03494	0.6
133.02850	0.6
133.06468	0.8
135.04407	0.7
137.02374	1.5
137.09663	1.4
138.03091	0.7
139.07501	0.6
143.03442	1.3
149.02371	1.1
149.09656	0.9
151.00319	0.4
153.01877	0.8
159.02971	1.0
161.02403	1.0
161.04468	7.3
161.13219	2.9
162.13600	0.5
163.00343	0.6
164.01088	0.6
165.01845	0.5
166.00603	0.5
166.02658	1.1
167.03441	0.9
179.03650	0.6
179.05595	1.4
187.11330	1.1
192.11526	2.8
193.01355	1.4
205.03528	0.6
205.12259	10.5
205.14012	0.6
206.12672	0.7
207.13838	24.7
208.14282	2.0
235.09782	2.9
249.11299	11.4
250.11716	1.3
261.07724	1.7
263.09387	0.6
267.07294	0.7
273.07748	0.9
275.09241	0.7
279.08499	0.6
285.04276	0.7
289.07520	0.7
291.08804	0.7
293.10318	1.2
319.08347	2.0
320.60522	0.5
429.08273	0.7
429.17767	2.1
429.22369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
58.00484	0.5
59.01250	100.0
60.01590	1.1
69.03332	1.6
69.20131	3.4
71.01256	12.0
72.99190	1.3
73.02839	1.8
83.01270	1.1
85.02810	2.7
87.00761	0.9
89.02315	11.8
89.02832	0.8
93.03326	0.7
95.01260	0.6
97.02853	0.5
98.19798	0.8
99.00745	0.9
101.02318	5.8
113.02320	5.9
115.07866	0.4
118.98007	0.6
119.03400	4.9
121.02847	0.4
125.02332	0.8
131.03442	0.5
133.02844	0.5
135.04378	0.6
136.01575	2.4
137.02336	4.3
137.09659	1.2
138.03142	0.9
139.03857	0.5
143.03450	1.1
151.03926	1.4
153.05510	1.0
161.02356	0.8
161.04453	2.3
165.01843	0.5
179.03365	0.9
179.05505	2.6
181.05014	1.2
185.00912	1.2
191.07140	0.8
205.08649	0.9
207.02852	1.1
208.07405	1.0
223.09709	5.4
224.09937	0.7
227.80078	0.4
249.07756	1.1
266.08008	1.1
267.08936	3.7
267.16110	0.6
283.02597	1.9
429.08380	0.9
429.14139	4.1
429.19452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24442	0.7
54.37832	0.7
57.03309	1.1
59.01251	26.3
69.07999	0.7
71.01251	6.6
71.53688	1.2
72.99178	79.3
73.02814	1.4
73.99514	0.9
83.01271	1.6
85.02823	2.8
87.00775	1.0
89.02314	3.0
95.01264	1.3
97.02820	1.8
99.00775	1.0
101.02292	4.1
107.04942	1.7
108.02031	4.4
109.02830	2.1
109.06479	1.5
113.02340	3.2
119.03384	1.5
119.04927	0.8
119.08531	2.0
121.02789	1.1
121.06494	2.0
124.01553	0.8
125.02311	1.7
130.08530	0.8
134.03618	4.4
135.04343	1.3
136.01555	7.2
137.02367	1.3
137.09579	1.9
149.02336	2.8
150.03116	1.3
161.02377	2.4
161.04459	1.5
161.05930	1.3
161.09627	10.1
162.03169	4.1
163.07533	1.9
175.03931	1.2
175.07492	1.1
176.01062	15.9
177.01666	0.9
177.09113	4.4
179.03372	1.1
192.04269	1.0
193.08670	10.8
194.09030	1.1
203.07036	3.2
205.08646	100.0
206.08977	6.8
209.04565	1.1
217.08624	1.2
219.06531	1.2
219.10179	0.9
221.08130	3.8
231.06577	39.9
232.06950	3.1
247.09694	2.5
249.07558	1.5
273.15613	1.0
285.04321	1.2
367.14038	1.6
387.19925	2.4
411.12933	52.8
412.13388	7.4
429.13678	7.9
429.21017	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80677	0.2
56.03331	0.2
56.65459	0.2
59.01240	0.8
65.29852	0.2
68.92079	0.2
69.88431	0.6
69.88823	0.4
83.04895	0.3
99.92455	5.0
100.92559	0.4
100.93230	2.4
115.91962	100.0
116.91969	5.1
116.92746	5.7
116.93634	0.4
117.92486	0.3
132.92264	1.1
172.95393	6.4
255.23219	0.7
303.95773	0.3
355.15805	0.7
359.14285	0.2
371.14932	0.3
381.17465	1.0
429.19525	3.7
430.19754	0.7
451.29910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.4
57.88997	0.6
59.01250	100.0
66.68424	0.6
71.01250	15.3
71.01616	1.1
71.53717	0.7
73.02827	4.2
75.00764	0.8
80.96383	0.6
83.01266	1.9
85.02819	7.3
86.49066	0.7
87.00782	1.5
87.04399	0.8
89.02299	4.1
93.03345	0.6
95.01294	0.8
96.95869	0.8
99.00755	1.4
101.02308	7.5
112.09234	0.7
113.02320	7.4
119.03419	1.4
121.02869	0.7
125.02366	0.8
130.29243	0.6
133.02844	0.8
135.04434	1.0
137.02336	1.0
137.09578	0.7
137.63922	0.6
143.03415	1.0
150.03174	0.7
159.02948	1.2
161.02350	0.8
161.04459	8.3
187.13347	0.8
207.13921	3.1
225.05579	2.2
231.06639	1.0
285.04205	1.0
343.04611	1.0
343.25058	3.7
429.20837	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
55.34114	0.7
56.29032	0.7
57.03329	0.7
59.01253	21.7
69.03329	31.0
71.01253	7.1
71.19910	2.0
72.99181	100.0
73.02806	1.3
73.99522	1.1
75.00767	0.8
78.95773	0.9
79.01781	0.8
83.01253	2.5
85.02833	4.4
86.14645	0.7
87.00726	1.5
89.02331	4.7
95.01245	1.1
97.02828	5.4
99.00744	7.9
101.02331	2.5
103.27415	0.7
107.04903	1.5
108.02044	3.5
113.02368	2.8
119.03394	1.2
119.08559	1.4
121.06499	2.0
124.01591	1.2
125.02332	1.8
125.09511	0.7
129.01820	0.7
134.03668	3.4
135.04469	1.2
136.01570	5.1
137.02289	1.0
139.11188	0.8
141.01888	2.4
149.02373	1.6
149.09669	1.6
149.30733	0.7
150.03040	0.6
151.07571	1.2
153.01817	4.6
161.02365	1.4
161.04565	1.1
161.06061	1.0
161.09656	5.7
162.03159	3.4
163.07518	1.9
166.02744	0.9
167.51761	0.7
173.32779	0.8
176.01059	10.1
177.09122	2.6
182.11760	0.7
185.00862	19.0
190.06213	1.0
193.08630	18.0
194.09052	0.9
203.07072	3.0
205.08636	63.6
206.09033	4.5
217.08702	1.4
219.06581	1.3
221.08163	3.3
223.13423	2.2
231.06586	22.3
232.07014	2.1
237.05881	0.7
243.12354	3.6
247.09763	1.3
249.14906	0.7
267.12671	1.2
267.15991	0.9
269.03027	0.9
285.04062	0.7
315.07208	1.1
341.19904	0.8
367.13824	1.0
369.18900	0.9
383.13568	0.9
411.12939	26.5
412.13318	2.6
429.08615	0.7
429.13791	15.4
429.22147	1.4
430.14420	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18620	0.8
53.51935	0.7
55.90311	0.9
57.03315	1.4
58.00473	1.0
58.08360	0.9
58.53951	0.9
59.01244	13.3
64.04643	0.8
69.03327	0.8
69.20366	7.7
71.01251	18.3
72.58125	0.8
72.99185	3.2
75.00741	8.8
85.02818	20.1
87.00747	29.0
89.02310	6.5
95.01260	3.6
99.00768	5.1
101.02325	1.7
103.00254	1.3
113.02327	25.9
114.02639	1.0
115.00272	1.6
117.01817	2.1
129.01875	1.6
133.02837	6.7
134.03680	1.5
135.04413	17.1
161.01073	1.7
161.02359	24.2
162.02684	1.8
175.02377	2.5
179.03412	9.6
207.05038	1.0
249.06192	5.9
253.07083	1.3
267.07205	100.0
268.07556	5.9
355.93311	1.0
429.10352	36.8
430.10641	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.3
57.60414	0.6
59.01247	12.6
59.68311	0.6
68.99667	0.9
69.03335	0.8
70.82481	0.7
71.01256	20.7
71.10054	0.9
72.99174	3.2
73.02807	1.0
75.00746	12.6
78.57507	0.5
84.44425	0.6
85.02823	23.1
87.00755	8.4
89.02316	7.9
91.03892	0.9
91.17509	0.5
95.01264	5.4
98.19852	0.6
99.00759	7.8
101.02321	1.2
103.00259	3.9
108.84492	0.6
112.01579	0.9
113.02334	47.3
114.02708	0.7
115.00259	1.3
117.01817	2.5
127.03887	1.0
129.01875	2.9
131.03352	1.0
133.02858	6.0
134.03656	1.6
135.04413	23.0
135.05450	1.3
136.04745	1.3
149.04439	0.7
157.01328	1.1
161.02357	34.7
162.02710	2.1
175.02383	2.3
179.03419	15.1
191.05463	0.6
205.07150	1.1
207.05077	2.7
216.69963	0.6
249.06145	8.3
253.07233	3.0
267.07208	100.0
268.07526	5.9
278.40027	0.6
295.08237	1.0
367.10550	1.0
416.15689	0.6
429.10373	31.5
430.10791	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03322	5.6
58.00465	1.2
59.01251	100.0
60.01599	1.3
65.17467	0.3
69.03318	2.5
69.36977	2.5
71.01252	36.9
71.04913	0.3
72.01604	0.4
72.99181	2.0
73.02819	40.6
74.03165	0.7
75.00736	0.4
78.95784	0.3
81.03345	0.5
83.01256	12.1
83.04905	1.2
84.01617	0.4
85.02824	5.2
85.99942	0.4
87.00755	3.3
89.02316	13.9
95.01276	1.1
97.02863	0.8
99.00768	1.7
99.04391	2.5
101.02324	39.4
102.02696	0.8
111.00799	0.7
113.02330	10.4
113.05959	0.5
117.01841	0.4
119.03382	5.6
123.08070	0.9
125.02367	1.4
131.03426	2.7
137.02333	0.9
137.09595	2.1
143.03401	2.8
149.02390	0.5
149.04497	2.1
151.07574	0.4
151.11230	0.3
153.09126	1.7
155.03429	1.1
161.04477	6.1
163.11183	0.9
165.01897	0.4
165.09123	28.5
166.09470	1.8
167.03445	0.5
175.07600	0.4
177.12769	0.4
179.05516	1.7
179.06990	0.3
179.10785	0.3
185.00903	0.9
187.11208	7.9
188.11516	0.8
203.05557	0.6
205.12286	5.8
206.12648	0.4
221.11844	0.6
223.13367	2.9
229.12402	0.4
247.13521	0.5
265.10809	0.5
357.59906	0.3
367.17850	0.9
383.03833	0.3
385.18689	3.5
386.18988	0.4
427.19901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29752	0.2
55.01765	0.9
57.03318	4.5
58.00470	1.2
59.01249	100.0
60.01602	1.4
61.98705	0.3
69.03331	1.2
69.80006	1.3
71.01254	31.3
72.01608	0.4
72.99185	1.8
73.02818	29.2
74.03159	0.4
75.00763	0.8
81.03336	0.6
83.01256	10.3
83.04913	1.0
84.01598	0.4
85.02819	4.5
87.00758	2.5
89.02316	12.3
95.01282	1.1
97.02838	0.8
98.20500	0.5
99.00752	1.4
99.04385	1.8
101.02319	32.3
102.02692	0.7
111.00796	0.8
113.02329	9.7
113.05972	0.7
117.01857	0.4
118.84602	0.2
119.03388	5.5
121.02837	0.4
123.08054	0.7
125.02353	1.4
128.03453	0.3
131.03384	2.3
135.08118	0.4
137.09615	1.9
139.00339	0.3
143.03389	2.4
149.04526	1.5
149.05675	0.2
151.03932	0.4
153.09143	1.1
155.03430	1.0
157.11494	0.3
160.01584	0.3
161.02406	0.5
161.04446	5.8
161.09630	0.4
163.11176	0.5
165.09119	22.0
166.09454	1.4
177.12912	0.3
179.03374	0.4
179.04201	0.3
179.05563	2.0
181.12328	0.3
187.11214	6.9
188.11626	0.5
193.12341	0.4
198.46564	0.3
203.05539	0.4
205.12279	5.4
205.14053	0.4
206.12659	0.5
209.04607	0.9
223.13319	2.4
225.38344	0.3
242.65874	0.3
247.13490	0.7
281.32199	0.3
307.12128	0.6
367.17703	0.5
385.18631	3.6
386.19336	0.5
427.19873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03323	6.6
58.00472	1.7
59.01249	100.0
60.01589	0.9
63.46296	0.2
67.01767	0.2
69.03329	1.3
69.34876	1.8
71.01252	40.0
71.04893	0.3
72.01598	0.6
72.02004	0.3
72.08878	0.2
72.99175	1.9
73.02818	52.2
74.03154	1.1
75.00752	0.7
81.03322	0.5
82.74326	0.2
83.01255	14.7
83.04882	1.5
84.31017	0.3
85.02820	5.1
85.99970	0.5
86.64066	0.2
87.00758	3.8
89.02316	10.2
90.51495	0.2
91.53788	0.2
93.03342	0.7
95.01278	1.2
97.02810	1.0
97.52744	0.2
99.00748	1.4
99.04399	3.9
99.05013	0.4
101.02321	41.1
102.02648	0.9
107.04915	0.2
109.02819	0.3
111.00732	0.3
111.04432	0.3
113.02328	11.1
113.05926	0.6
114.02663	0.3
119.03391	4.1
121.02835	0.2
121.06464	0.3
123.08062	1.2
125.02303	1.9
127.03880	0.2
127.43470	0.2
131.03409	2.9
135.04410	0.2
135.08046	0.4
137.02328	0.9
137.09608	2.8
143.03392	3.3
145.02838	0.3
149.04468	2.1
150.06801	0.3
151.07451	0.5
153.01793	0.2
153.09123	1.6
155.03407	1.0
161.03200	0.5
161.04460	6.5
161.09586	0.6
162.04791	0.2
163.11211	0.6
164.04707	0.3
165.09122	43.8
166.09453	2.8
171.08064	0.7
175.07547	0.7
177.12814	0.5
179.03497	0.3
179.05498	0.7
181.04893	0.4
187.11211	10.0
188.11584	0.7
189.09140	0.6
190.09949	0.4
193.12328	0.4
203.05519	0.8
205.10304	0.3
205.12265	5.7
206.12512	0.5
221.06520	0.3
221.11728	0.4
222.26886	0.2
223.13347	3.1
224.13654	0.2
227.49741	0.3
244.24030	0.2
247.13553	0.3
295.15390	0.7
367.17673	0.4
385.18600	2.1
427.13815	0.2
427.19666	2.1
428.20041	0.3
436.07318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
59.01250	12.3
67.01758	2.8
68.99676	7.0
69.03323	3.3
71.01261	6.1
73.02812	2.6
81.03340	6.8
83.01264	5.1
84.02027	1.0
85.02834	4.0
88.87206	1.2
89.02288	2.2
90.77681	1.1
93.03343	2.3
95.01238	1.7
95.04909	1.5
96.95888	4.0
97.02825	14.8
98.20578	2.7
101.02308	3.0
102.31076	1.0
108.02040	2.0
109.02818	3.6
109.06438	1.2
111.08022	2.0
113.02333	2.2
119.04917	1.3
121.02843	1.7
122.03611	3.3
123.04395	1.8
124.01524	3.3
125.02338	12.0
125.09612	1.2
131.04836	1.3
133.02771	1.5
133.06491	2.4
134.03551	1.7
135.04425	1.3
135.08064	1.9
136.01579	1.4
137.02332	4.5
138.03119	3.2
147.04462	1.2
149.09645	5.5
149.80983	1.2
150.03096	1.6
151.00208	1.6
151.07544	2.9
152.01041	4.3
153.01773	3.4
160.01517	2.9
161.02272	1.3
161.09586	1.6
163.11157	1.5
164.04686	1.4
165.01791	5.0
165.09142	3.5
166.02620	11.9
167.10674	3.5
173.09552	1.2
175.03905	3.6
177.01805	2.5
177.09146	1.3
179.03435	1.9
181.05064	1.2
189.09142	2.0
191.06914	1.4
191.10696	7.6
193.08636	14.0
194.02112	3.1
204.76636	1.2
205.05005	1.5
205.08589	2.4
205.12289	1.5
207.10202	3.5
217.08636	1.7
219.06604	3.8
219.10164	7.8
221.08139	24.9
222.08701	1.2
231.06711	1.5
233.08153	9.2
235.09711	34.0
236.10069	2.4
245.08122	1.8
247.09750	2.3
261.07654	3.0
263.09225	100.0
264.09628	6.4
265.10867	7.4
271.71432	1.3
275.09244	3.4
276.09512	1.3
293.10287	25.5
294.10608	1.9
305.10257	2.2
307.08224	18.9
308.08438	1.6
337.09232	1.6
347.11450	2.5
355.14191	1.3
383.13480	5.3
419.72714	1.4
427.11697	5.4
428.12427	1.6
452.21091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43849	0.2
57.03305	0.5
57.26355	0.2
59.01251	2.5
64.41388	0.2
65.00199	1.2
67.01755	0.6
68.99679	2.0
69.03334	0.4
69.31901	1.1
69.32310	0.5
69.65462	0.2
70.07858	0.2
71.01244	1.3
73.02827	0.3
81.03342	0.2
83.01257	3.8
85.02814	0.6
89.02303	0.7
92.37379	0.3
95.01248	0.4
96.35176	0.2
97.02888	0.2
98.20576	0.4
101.02287	0.5
107.08469	0.2
108.02049	0.6
109.02837	2.8
109.06464	1.0
111.00761	0.3
111.08084	0.4
113.02344	0.4
121.02816	0.5
123.00812	0.4
124.01555	2.3
125.02315	0.6
125.09591	0.4
131.08543	0.3
133.02820	0.2
133.05499	0.3
133.06485	4.0
135.04390	0.4
135.08037	0.5
137.02336	3.0
138.03156	0.3
147.08031	0.2
148.01566	0.4
149.02380	0.5
149.09624	0.9
150.03136	1.2
151.00293	0.3
151.07544	4.4
152.01056	10.6
152.07884	0.4
153.01700	0.9
153.09116	0.8
161.02333	0.5
165.01863	4.0
165.09099	0.3
166.02647	1.9
167.03464	0.3
175.03902	0.3
175.07536	2.1
176.01059	0.8
177.01833	2.0
177.09135	11.1
178.02629	2.7
178.09441	0.8
179.03407	0.3
179.07076	0.3
179.10716	0.2
193.01364	0.4
193.08630	3.1
194.02092	1.3
201.07358	0.2
203.03410	0.2
205.04909	0.3
205.08501	0.3
217.08727	1.5
219.06567	10.1
220.06946	0.7
221.08138	100.0
222.08466	7.4
223.13298	0.6
233.08154	0.8
235.09756	0.8
243.06589	0.8
245.08151	9.8
246.08423	0.7
261.85071	0.3
263.09232	6.9
264.09625	0.4
267.01447	0.2
275.09329	0.7
287.09341	0.3
383.13434	8.2
384.13818	0.9
409.08389	0.4
427.12228	3.9
427.17377	0.3
428.12811	0.6
435.93771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05408	1.7
71.04890	12.2
71.33508	1.3
80.04921	1.1
114.09123	2.1
130.08629	13.1
168.13860	0.9
186.14948	7.1
194.11864	1.7
212.12878	1.0
230.13931	100.0
231.14224	4.9
312.40930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
59.01249	0.5
62.17286	0.3
65.00198	2.5
67.01752	0.9
68.20026	0.3
68.69801	0.3
68.99676	2.8
69.94597	0.3
71.01279	0.3
71.06870	0.7
75.48189	0.3
81.03317	0.6
83.01251	3.3
85.02825	1.2
89.42315	0.4
95.01227	0.7
95.39121	0.3
101.69607	0.3
105.06963	0.3
107.04903	0.6
107.08566	1.1
108.02049	0.5
109.02845	0.7
109.06459	6.0
111.00806	0.5
111.08024	0.4
117.03363	0.4
122.03595	0.4
123.00786	0.3
124.01544	3.3
125.02380	1.5
125.09597	2.9
131.08583	0.4
133.02844	0.4
133.06485	10.6
134.03639	0.4
134.06757	0.7
135.04390	0.4
135.08026	0.7
137.02341	1.9
138.03117	0.7
145.02841	0.9
148.01543	0.3
149.02336	0.4
149.09618	6.9
150.03108	2.5
150.10091	0.4
151.07541	8.4
152.01065	1.3
152.07867	0.3
161.02296	1.6
163.00311	0.3
165.01923	0.7
165.09099	0.4
166.02701	0.7
173.30917	0.3
175.04008	0.4
175.07559	2.0
176.01047	0.3
177.01865	1.6
177.09138	1.9
178.02606	0.6
179.03479	0.5
182.37137	0.3
190.02658	0.3
191.07135	0.3
193.08623	62.1
194.08960	4.5
205.04865	0.4
207.10158	0.9
217.08650	3.9
218.09004	0.3
219.06573	17.7
220.06837	0.8
221.08130	100.0
222.08467	7.3
235.09796	0.6
245.08093	2.4
247.06090	2.2
259.10019	0.3
263.09219	2.4
355.13983	2.1
381.12213	0.4
383.13477	6.1
384.13791	0.8
409.11298	2.0
427.12369	5.9
428.13101	0.5
435.49539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97854	0.2
52.80298	0.2
53.88100	0.2
57.03315	0.3
59.01248	4.8
61.98692	0.4
63.02262	0.4
65.00185	0.6
68.99672	0.3
69.03310	0.6
71.01260	1.6
71.53013	0.4
72.99162	0.9
78.95782	0.3
79.95638	0.3
83.01260	0.5
85.02818	0.9
87.00733	0.5
89.00198	2.3
89.02299	1.2
93.03336	0.5
95.01254	0.7
96.95910	1.6
97.02785	0.4
99.00723	0.4
100.44177	0.3
101.02309	0.7
103.46962	0.2
104.29878	0.3
105.07039	0.3
106.04126	2.9
107.04907	0.4
108.02019	0.3
113.02332	0.6
116.76727	0.3
121.02848	2.6
124.01586	0.3
129.06985	0.7
130.04111	0.3
131.08542	1.0
131.93742	0.3
133.02892	0.7
133.06508	1.4
134.03609	1.1
135.04391	0.5
136.01558	0.4
137.02332	2.0
138.03181	1.3
140.07922	0.3
143.04901	0.4
145.02846	3.0
145.06476	1.1
147.00775	0.3
147.07983	0.5
149.02361	2.1
149.05974	0.6
151.03899	0.8
151.07556	2.0
152.01033	0.7
157.06496	7.1
158.06787	0.6
159.04430	2.1
159.08046	3.4
160.04942	0.3
161.02371	2.0
161.06020	0.4
161.09645	1.3
162.02919	0.3
163.00250	0.4
165.01855	1.8
171.04442	0.4
173.06001	3.9
174.03142	0.6
174.06750	1.4
175.00256	1.7
175.03909	0.3
175.07576	2.4
176.01114	0.5
176.08195	0.3
177.01852	4.9
179.03305	0.3
185.05980	0.4
187.00291	0.6
187.03918	0.5
187.07524	0.7
189.01837	0.7
189.05472	0.5
189.09132	6.3
190.02655	1.3
190.09473	0.5
191.03397	0.4
191.07062	1.9
192.07722	0.4
201.05420	0.7
202.06287	0.8
205.05127	0.5
205.08644	0.6
207.06590	0.9
207.10190	4.9
208.10381	0.3
215.03511	1.8
215.06990	0.5
217.05260	0.6
217.08638	10.0
218.08951	0.8
219.03217	0.4
219.06580	7.8
219.10025	0.5
220.07016	1.4
222.01668	0.3
229.04982	0.4
230.05766	0.7
231.06648	0.8
232.07323	0.6
233.08157	2.5
234.08711	0.5
235.09691	5.9
236.10175	0.7
237.07654	1.4
245.08154	10.0
245.10692	0.5
246.08698	1.0
247.06085	19.1
247.09712	2.7
248.06482	1.7
251.09039	0.3
252.09912	0.3
261.07654	3.8
262.04825	0.4
262.07880	0.4
263.09225	9.5
264.06323	0.7
264.09573	0.8
265.10931	0.5
274.08456	0.8
289.10767	1.1
305.10242	0.7
379.13785	0.5
425.14499	100.0
426.14847	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	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93404	0.2
61.17580	0.2
62.96243	0.3
70.85552	0.8
78.95774	14.4
102.96349	0.3
104.97343	0.4
110.98412	9.5
152.99474	0.7
167.01048	12.0
177.52946	0.3
185.02110	2.2
237.22227	0.4
255.23262	100.0
256.23630	10.6
256.26312	0.4
307.89108	0.3
369.21225	0.3
405.57559	0.3
423.25137	16.5
424.25488	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	424.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05233	0.5
59.01234	1.6
67.84454	0.5
69.24824	4.8
78.95775	14.7
85.43448	0.5
122.00014	0.6
137.53502	0.5
140.01047	3.9
152.99501	1.8
178.64082	0.6
196.03732	9.8
214.04840	2.0
227.20113	100.0
228.20436	8.4
229.14424	0.7
424.24683	21.3
425.24988	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	425.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.2
60.63249	0.3
63.78339	0.3
65.00196	1.7
67.01776	0.5
68.99686	5.9
69.26569	0.2
71.01250	0.7
79.05408	2.3
81.06950	1.4
83.01252	4.7
86.70216	0.3
89.02319	0.4
95.01295	0.3
101.02321	0.5
104.85885	0.2
105.06963	2.0
107.04910	5.6
108.02053	0.4
109.03004	0.3
109.06470	0.6
111.00791	0.9
113.02350	0.4
114.05402	0.3
121.02827	0.3
123.08050	5.1
124.08365	0.4
125.02380	0.3
129.06985	0.7
131.04918	2.1
133.06485	0.6
137.02373	0.3
145.06464	0.6
147.08057	5.4
148.08441	0.3
149.05981	18.8
150.06311	1.0
151.07607	0.5
161.04465	0.4
163.07579	1.8
173.06003	2.4
175.03894	0.7
175.07538	3.5
191.07056	60.1
192.07385	3.7
201.05515	0.5
203.03239	0.4
206.70172	0.3
215.07065	1.4
217.05017	11.5
218.05472	0.9
219.06564	100.0
220.06924	6.2
221.08115	0.7
227.07080	0.3
231.06693	0.3
233.08217	0.5
235.06073	0.3
243.06561	1.6
245.04471	3.3
261.07635	0.8
353.12311	3.4
381.11856	8.2
382.12173	0.8
425.10825	8.5
426.11108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95349	0.3
59.01244	3.0
61.98688	0.5
65.00201	0.9
68.99686	5.3
69.03339	0.5
69.60233	2.0
71.01248	1.2
73.64304	0.3
78.95779	0.5
79.05420	1.0
81.06944	0.7
83.01257	2.2
85.02839	0.9
89.02325	0.8
96.95892	0.9
100.34064	0.3
101.02316	0.5
102.68848	0.3
104.14554	0.3
105.06966	2.7
107.04903	6.8
108.02058	0.5
109.02839	0.9
111.00766	0.5
114.14230	0.3
121.02821	0.5
123.08069	1.5
125.02404	0.5
129.07013	0.5
131.04930	2.1
133.02870	0.7
133.06502	0.6
137.02327	0.4
145.06502	0.8
147.08055	16.9
148.08369	1.0
149.02336	0.4
149.05986	7.9
150.03117	0.4
150.06346	0.4
153.01884	0.4
157.06519	0.5
159.08092	0.6
161.09622	0.4
163.07581	2.1
173.05992	3.2
175.03969	0.8
175.07581	3.0
177.01758	0.5
177.09064	0.6
185.06085	0.3
186.46053	0.4
187.07550	0.4
189.05411	0.8
189.09044	0.5
191.07062	100.0
192.07411	6.8
197.05946	0.4
201.05560	0.8
203.07072	0.8
203.10667	0.5
205.08655	3.3
215.07074	15.9
216.07442	1.3
217.05003	9.7
217.08626	0.9
218.05534	0.6
219.06570	61.9
220.06898	4.1
221.11734	1.4
233.08195	2.9
235.09720	0.4
241.05019	0.9
243.06584	1.4
245.04507	3.7
245.08194	1.4
247.06047	0.9
261.07608	1.1
263.09253	0.8
269.04517	0.5
305.10327	0.4
341.02066	0.5
353.12405	6.2
354.12646	0.9
381.11920	7.2
382.12350	0.5
425.10709	7.4
425.14798	4.9
426.11136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.166
Annotation	Lactuside C
Peak:m/z	Relative Intensity
57.03309	0.5
59.01252	9.0
71.01255	2.0
73.02802	0.5
75.00761	0.4
79.95605	1.5
80.96407	0.4
83.01257	0.7
85.02809	1.1
87.00742	0.8
88.16238	0.4
89.02315	1.7
96.95917	0.5
99.00753	0.6
101.02346	0.9
112.73357	0.5
113.02324	0.8
119.04913	0.4
119.97844	0.4
125.02338	1.3
135.04451	0.5
137.02335	1.0
143.99956	0.5
147.04437	2.4
148.41061	0.5
152.48010	0.4
153.01762	0.6
153.99944	0.4
159.04410	1.1
161.06020	0.5
163.53572	0.5
164.04509	0.5
183.08162	0.6
185.09607	0.8
187.07576	1.3
191.03372	1.1
201.09154	6.4
201.54424	0.5
202.09927	19.2
203.10277	1.7
205.08640	3.6
206.02016	0.5
207.10265	2.0
210.50940	0.5
217.08801	1.0
217.12279	7.6
218.12535	1.0
227.07274	0.5
243.06570	1.4
245.08112	4.2
246.08943	25.2
247.09346	2.9
261.11298	100.0
262.11600	9.0
262.14337	0.6
335.04480	1.0
423.12543	3.0
423.24399	0.9
424.13815	2.0
432.15866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	Diaspanoside A
Peak:m/z	Relative Intensity
58.00472	0.6
59.01253	8.4
70.92509	0.4
71.01255	5.3
72.99183	0.4
77.69942	0.2
80.58276	0.2
83.01260	0.3
85.02821	1.1
87.00743	0.3
89.02316	3.8
95.01275	0.5
101.02325	1.8
112.61806	0.2
113.02324	1.7
119.03406	1.1
127.17593	0.2
128.25638	0.2
132.02112	0.4
143.03452	0.2
145.02827	1.1
147.04405	0.4
159.00887	0.2
161.04448	0.3
173.02368	0.8
175.07472	0.4
178.00117	0.2
179.05447	0.2
181.06456	0.3
183.08069	0.5
185.02362	0.6
185.06036	1.0
185.09563	0.3
187.03920	2.0
188.04196	0.2
188.08931	0.2
189.05426	0.2
198.03189	0.2
199.07581	6.5
200.08340	4.1
201.08841	0.4
202.09918	3.0
203.10286	0.3
209.06017	0.4
211.03992	0.4
211.07524	1.2
212.04781	0.4
213.05510	2.0
215.10735	0.4
217.12294	2.0
218.12723	0.2
221.05751	0.2
225.05521	0.3
227.07091	10.7
228.07867	51.1
229.08237	4.2
243.10234	100.0
244.10593	10.4
246.08963	0.2
257.11935	0.4
259.13309	1.3
261.11301	12.9
262.11603	1.6
270.08981	0.7
275.12903	0.4
285.11313	5.2
286.11694	0.3
303.12381	2.4
304.12527	0.2
333.13492	1.0
363.14484	1.7
364.14835	0.3
423.11203	0.4
423.16586	5.8
424.16922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1296
Annotation	Rutarin
Peak:m/z	Relative Intensity
59.01247	2.5
62.67060	0.2
65.00204	0.4
65.03829	1.3
67.01756	3.5
69.03329	0.6
69.80595	0.5
69.80985	0.6
71.01244	1.1
79.05400	9.0
79.95619	0.2
80.05735	0.4
83.01275	0.4
83.04929	0.5
85.02822	0.6
89.02326	1.2
93.03338	0.4
93.79861	0.2
95.01262	0.3
96.95905	0.5
98.20490	0.3
101.02332	0.8
103.05414	0.3
105.06998	0.9
107.04906	4.2
109.02831	2.2
111.03638	0.3
111.04401	5.8
113.02321	0.6
117.30730	0.2
119.03439	0.6
119.04916	0.2
121.02837	0.3
121.06451	0.3
125.02419	0.3
129.06990	0.7
131.08548	4.1
132.08871	0.3
133.06476	0.7
134.03644	0.5
137.02362	0.5
143.05020	0.3
143.08549	0.3
145.10162	0.4
147.08081	0.5
149.06009	0.8
149.09639	2.1
155.08556	0.3
157.06477	3.0
158.07309	0.3
159.04489	0.3
161.02345	1.1
171.08060	2.3
173.09625	12.4
174.09969	0.9
175.03979	0.3
175.07603	2.4
175.09042	0.3
189.09148	2.6
199.07593	1.4
201.05510	0.5
202.06319	0.2
215.07158	0.4
217.08638	100.0
218.08978	7.9
239.43912	0.3
243.06573	7.3
244.07028	0.8
261.07657	28.7
262.08047	2.3
267.64529	0.2
325.84009	0.3
417.99106	0.2
423.12878	9.1
424.13318	1.4
424.18185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1298
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
53.92715	0.5
56.84779	0.6
59.01248	12.6
69.03317	0.9
69.48553	3.9
71.01257	2.7
73.02819	1.4
83.04867	1.0
85.02825	0.8
87.00742	1.1
89.02308	1.2
95.01270	0.7
96.95909	0.8
101.02295	1.2
113.02328	1.3
113.89810	0.7
121.02847	1.4
125.02344	1.9
134.12209	0.6
137.02289	0.7
143.04956	1.4
145.02792	0.6
149.02376	1.3
150.03232	0.8
154.04990	0.8
159.08054	0.6
161.02374	0.9
171.04517	0.7
175.03925	0.9
177.01875	3.2
185.06039	1.5
187.03957	0.9
187.07654	1.0
189.01921	1.0
189.05615	0.7
194.08139	0.9
199.03915	0.8
201.05470	1.2
203.07043	0.8
205.01344	1.5
205.04965	0.7
206.02101	5.2
211.03952	0.9
212.04631	0.8
213.05489	2.3
214.06310	0.7
215.03484	4.8
215.06946	1.3
217.05080	1.0
219.02916	1.6
229.05083	1.0
230.05617	1.0
233.04492	10.6
234.04604	0.8
241.04956	4.8
242.05763	2.4
243.06561	4.3
245.04523	13.1
246.04752	1.5
258.05283	0.9
259.06091	4.3
260.06879	100.0
261.07446	17.6
262.07928	1.1
333.27136	0.6
344.64130	0.7
353.08667	1.5
363.16409	0.8
377.14822	0.6
387.95316	0.7
395.68188	0.7
423.07254	1.5
423.12912	21.2
424.13293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2077
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.84112	0.4
54.61411	0.4
55.01756	5.2
57.03324	5.5
58.00467	3.3
59.01249	62.7
60.01586	1.2
68.99669	0.6
69.03327	3.5
69.26830	0.7
69.27239	3.3
71.01250	100.0
71.04879	0.6
72.01582	1.7
72.99186	5.8
73.02817	26.5
74.03175	0.5
75.00746	1.6
79.95596	0.7
81.03341	2.0
83.01252	13.4
84.02037	1.0
85.02821	36.7
86.03167	0.9
87.00745	5.0
89.02315	48.2
90.02652	0.8
95.01266	4.0
97.02836	4.2
98.03165	0.4
98.20546	1.0
99.00756	10.1
99.04362	0.6
101.02318	62.6
102.02655	1.9
109.02814	1.1
111.00761	8.1
111.01487	0.8
113.02328	25.9
114.02657	1.0
115.03902	1.7
119.03386	3.0
119.04936	0.4
123.04435	0.4
125.02332	8.3
127.03887	0.7
127.11171	1.7
129.01830	1.4
131.03397	24.9
132.03703	0.7
135.04387	0.5
137.02336	0.7
139.03891	0.6
143.03374	4.7
146.03294	0.4
149.04451	11.2
151.03877	0.5
159.02914	4.3
161.04462	24.7
162.04756	0.8
164.07089	0.6
173.04478	0.6
179.58229	0.4
183.68860	0.4
186.12418	0.6
191.05504	4.1
205.03505	1.2
209.05988	0.6
210.12279	0.6
215.05453	1.1
226.03761	1.3
233.06644	6.2
237.05524	0.7
238.79909	0.4
254.05612	0.6
255.06593	4.9
267.06927	1.4
276.45551	0.4
289.07257	0.7
289.16565	34.3
290.16788	2.7
293.08649	2.2
301.07407	0.6
376.18161	0.6
377.19046	2.2
421.20697	36.4
422.21036	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
76.37592	0.4
78.95773	29.5
79.62807	0.5
85.97581	0.5
110.98412	49.5
111.98801	0.6
146.73883	0.4
152.99478	4.2
167.01036	1.3
185.02122	100.0
186.02483	2.1
229.17894	0.5
253.21693	25.7
254.22073	2.7
421.23260	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	13.2
59.01240	9.6
62.53712	2.0
71.01250	4.5
75.00767	3.2
83.01270	3.3
85.02809	5.0
89.02319	4.0
95.01241	4.6
99.00804	2.1
99.45885	2.2
101.02328	4.7
109.02863	3.1
113.02340	5.5
118.32484	2.6
118.98004	2.9
120.99551	2.7
121.02835	6.4
124.01527	2.9
125.00502	6.0
125.02338	59.7
125.09591	4.7
126.02635	2.3
135.04401	2.7
136.01497	3.2
137.02304	8.7
145.02768	3.5
147.00684	2.8
149.02333	4.5
151.00247	9.4
151.03873	3.6
152.01019	4.4
153.00050	18.2
153.01735	2.8
163.00342	3.5
163.03835	3.1
165.00038	6.1
165.01839	10.7
173.02332	10.3
173.11708	6.4
175.00232	6.1
175.03894	9.9
176.00911	3.3
177.01822	5.2
178.99782	5.7
179.03471	3.1
180.04160	7.8
180.99579	35.1
182.02109	4.2
183.01151	3.3
187.03900	10.0
187.09628	5.8
195.06549	16.0
197.02466	4.4
197.04442	11.1
199.03879	9.9
199.83250	2.5
203.01627	4.5
207.01157	36.0
208.99071	67.5
209.99393	4.7
210.05289	3.0
211.03937	8.4
215.03371	6.0
216.04135	6.7
217.04997	5.6
225.07704	4.9
227.03377	4.9
231.01131	26.2
232.99097	5.2
239.03496	5.1
240.04175	8.6
241.04919	9.6
245.02588	3.9
247.11179	2.7
249.02252	29.7
255.02969	8.2
273.02161	20.5
275.00049	2.5
283.02475	44.4
284.03079	8.7
285.04028	50.7
286.04395	5.7
297.00723	6.0
299.00204	3.6
317.01218	100.0
318.01556	7.6
319.25052	3.7
335.02429	3.8
405.02838	89.2
406.03204	13.2
423.02722	4.4
423.07455	7.1
423.17798	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.8
57.03329	5.6
58.00472	1.8
59.01250	38.1
62.31313	0.5
69.03311	3.2
71.01252	100.0
71.04884	1.2
71.08675	1.0
72.01598	1.8
72.99171	2.7
73.02818	38.8
74.03156	0.9
75.00726	3.1
79.95600	1.0
81.03313	1.3
83.00800	1.1
83.01260	13.5
84.02059	0.6
85.02822	45.0
86.03181	1.1
87.00751	5.4
89.02316	23.5
95.01260	7.6
96.95895	0.7
97.02837	4.9
99.00757	19.5
99.04404	1.2
101.02322	63.3
102.02655	1.5
109.02808	0.8
111.00755	2.0
113.02332	34.9
114.02656	1.8
115.03911	3.7
119.03399	1.8
123.60553	0.5
125.02332	9.8
127.11195	2.6
129.01833	1.7
131.03419	5.1
143.03395	4.4
143.77847	0.6
149.04460	3.6
158.98050	0.6
159.02916	7.0
161.04465	38.2
162.04768	1.6
165.55112	0.6
191.05571	1.7
205.03442	2.0
215.05438	0.6
223.05840	0.7
225.03113	1.4
226.03938	0.9
233.06606	9.4
289.16571	52.0
290.16809	4.6
293.08783	2.8
333.15628	0.7
413.19604	0.6
421.20770	69.9
422.21100	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42323	0.4
59.01250	100.0
60.01584	1.6
65.00193	0.8
71.01257	5.2
72.99181	0.5
73.02819	2.3
74.98994	0.4
81.03290	0.5
83.01278	0.6
85.02840	2.2
89.02316	4.3
91.50790	0.4
93.03326	0.6
96.95889	0.6
99.00774	0.6
101.02321	4.3
101.90886	0.4
107.01295	0.6
113.02318	2.8
119.03444	1.2
120.70198	0.4
135.04456	0.4
143.03548	0.7
145.02905	0.5
151.00284	2.3
153.00075	0.4
161.04547	1.7
171.45061	0.5
171.92416	0.4
179.98836	0.8
180.99556	1.0
185.11844	1.4
299.01947	0.8
300.02942	0.8
301.16638	3.2
302.16922	0.5
319.17645	12.2
320.17905	1.2
333.00720	3.1
334.01379	0.5
361.18683	9.1
362.19156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.8
58.02840	5.5
59.01255	9.4
60.63546	1.3
69.50950	1.5
70.02855	12.7
71.01263	1.8
71.04888	16.5
71.52673	1.9
71.53327	1.4
79.97802	1.4
85.02813	4.8
87.05501	8.1
99.04383	6.9
109.02856	1.6
116.07046	2.7
129.01776	1.6
129.50237	1.7
130.03207	9.1
135.04408	2.5
143.04523	1.7
146.08136	89.3
147.05902	4.0
147.08502	3.4
164.69783	1.4
217.11903	25.7
259.49252	1.4
277.12259	100.0
278.12399	5.3
306.07397	1.9
377.18262	2.1
421.16287	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	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59195	0.3
50.78567	0.4
55.01748	0.7
57.03327	2.3
58.00446	0.5
59.00950	0.7
59.01250	13.9
63.12138	0.3
63.94678	0.3
67.01737	0.7
68.99679	1.1
69.03310	1.3
71.01253	20.9
71.04887	6.6
71.53393	0.4
72.99170	3.5
73.02842	1.9
75.00745	11.5
79.95613	0.4
83.01257	2.0
84.02052	0.5
85.02823	20.0
86.03123	0.4
87.00748	6.6
89.02317	5.4
91.03868	1.2
93.03362	0.5
95.01244	3.6
99.00757	6.7
99.07993	0.4
101.02299	1.6
103.00270	1.9
109.02804	0.7
111.00723	0.9
112.01550	0.7
113.02329	26.8
114.02653	0.4
114.91400	0.3
115.00239	1.2
115.03860	0.3
117.01827	2.4
119.04929	0.5
121.02793	0.6
123.04394	0.7
125.02311	0.5
127.11179	28.3
128.11497	1.1
129.01813	1.9
131.03459	0.5
137.02415	0.6
139.00293	0.7
149.04379	0.5
151.00206	0.6
157.01340	0.9
163.03874	0.4
171.10121	0.5
172.87724	0.3
175.02336	1.8
179.03522	0.4
182.91144	0.5
205.07100	0.5
207.05040	1.1
226.03821	0.5
231.05063	1.3
241.05005	0.4
249.06128	25.2
250.06499	0.8
259.06033	0.9
259.19144	2.9
267.07199	100.0
268.07520	4.6
289.07239	0.5
421.05566	0.6
421.12088	0.7
421.17163	6.4
421.24445	6.6
422.17499	0.7
422.24786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68122	0.2
51.02258	0.4
54.86728	0.3
55.46171	0.2
59.01245	1.9
61.98698	1.0
67.01759	1.5
70.08455	0.2
71.01233	0.6
73.02823	0.3
89.02304	0.3
98.20610	0.4
101.02299	0.5
105.03359	0.6
119.04945	0.4
129.06960	0.3
130.04137	0.5
143.08571	0.6
145.02812	0.3
145.06429	0.3
147.04359	0.7
156.05687	0.6
161.02386	0.4
169.06525	0.3
170.07272	1.1
171.08067	2.8
172.05186	0.9
173.06004	7.5
174.06261	0.5
185.05977	0.4
187.07533	1.4
199.03909	0.3
200.04700	1.6
209.19942	0.2
213.05505	0.7
214.06210	0.5
215.07077	100.0
216.07407	7.9
217.08467	0.4
241.05038	1.3
259.06085	5.5
260.06464	0.4
421.11353	3.3
421.23767	0.4
422.11682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01238	1.0
69.30109	1.1
69.30515	3.1
98.20502	1.1
99.32444	0.5
121.02840	100.0
122.03180	3.5
122.84126	0.5
129.69626	0.5
175.59174	0.6
185.99399	0.5
194.54504	0.5
274.04947	1.2
300.03116	0.6
420.27533	51.8
421.27930	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.0
59.01251	100.0
63.33260	1.0
71.01254	13.0
71.31934	1.1
71.52699	1.2
71.53076	1.2
73.02814	2.0
75.00740	1.6
75.30193	0.9
85.02829	6.2
85.60087	0.9
87.00735	1.8
89.02320	8.6
96.59701	0.9
101.02331	8.7
113.02327	6.0
119.03361	3.1
122.33057	1.1
128.03430	1.6
143.04478	2.8
153.05449	1.3
161.04453	8.8
165.01996	1.1
178.48534	1.2
179.05537	2.9
249.30835	1.3
267.07068	1.1
295.31546	1.1
306.07669	1.0
359.17078	18.8
360.17325	2.2
426.59274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18035	1.0
53.73604	0.9
59.01247	2.1
63.63332	0.9
78.95754	1.5
86.53823	0.9
103.49644	0.8
117.03342	28.3
118.03636	1.4
119.04060	1.8
119.04914	34.7
120.05257	1.2
121.02846	11.4
123.04398	4.4
133.02829	3.1
145.02856	53.6
146.03201	3.3
162.03082	3.5
163.02704	1.4
163.03923	15.8
164.04239	1.3
184.51051	0.8
231.73764	0.9
419.28049	100.0
420.28305	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	419.2804
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
59.01265	0.6
93.03342	0.6
94.58884	0.2
117.03350	31.1
118.03598	1.2
119.04918	42.1
119.88085	0.2
120.05255	2.2
121.02844	13.1
122.03179	0.3
123.04407	3.8
133.02846	2.8
134.03619	1.0
145.02855	60.7
146.03189	2.9
147.04425	0.2
162.03125	3.9
163.03915	16.2
164.04239	0.8
365.49957	0.2
419.28015	100.0
420.28357	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	1.3
62.68124	0.5
65.30506	0.5
71.32922	0.7
71.51488	0.5
75.00761	0.6
165.24017	0.5
196.73788	0.5
225.28812	0.5
375.27478	0.9
417.11813	0.6
417.28906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53946	0.3
59.01250	100.0
59.33444	0.3
60.01579	0.9
70.77056	0.4
70.77377	0.5
71.01263	1.2
72.99204	0.3
75.00753	1.1
85.02817	0.5
85.37448	0.3
89.02340	0.6
95.01282	0.4
113.02357	0.9
114.18488	0.3
125.02299	0.7
137.02368	0.7
141.92253	0.3
145.92603	0.3
161.02460	0.4
161.04512	0.4
165.01855	0.4
267.07202	0.7
279.48309	0.3
344.30930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81670	0.9
57.03316	4.0
59.01252	95.7
60.01588	1.0
61.98702	1.1
69.03349	1.1
71.01261	5.4
71.53178	1.1
72.99195	1.7
73.02811	1.5
73.75655	1.1
76.31772	0.9
76.48361	0.9
85.02830	2.6
89.02321	3.5
101.02333	4.3
113.02311	3.4
119.03399	2.2
121.02792	0.9
137.02324	2.9
137.09602	12.2
153.12762	20.3
154.13097	1.0
161.02200	1.0
179.10757	4.6
197.11768	100.0
198.12148	6.5
209.80029	1.0
225.57350	0.9
257.04361	1.9
359.17084	2.1
363.06042	1.0
419.22964	1.8
428.68988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81623	0.7
55.01776	1.7
57.03317	1.4
57.88797	0.8
59.01250	59.9
59.98876	0.8
60.01588	1.1
67.01758	0.8
69.03324	1.9
69.27440	1.4
69.27850	4.4
71.01253	26.6
71.04898	0.8
72.99171	1.2
73.02818	30.2
75.00740	2.1
82.71536	0.6
83.01255	7.0
85.02808	3.7
86.85149	0.7
87.00770	1.2
89.02307	4.8
94.04117	1.6
95.04892	7.9
97.02813	1.2
97.06463	3.1
98.03614	7.6
98.19827	1.7
99.00827	0.8
101.02322	18.9
107.04901	8.9
113.02347	7.0
115.07528	0.7
119.03405	1.6
125.02326	1.2
125.09612	0.9
130.15804	0.7
131.03427	0.8
133.10139	1.2
135.08076	1.4
136.61610	0.7
141.12743	1.4
143.03445	0.8
143.88216	0.7
149.04485	0.9
149.09645	3.5
151.11189	94.9
152.11530	4.7
154.09897	1.7
161.04446	3.3
166.06036	0.7
169.12247	16.1
170.12587	1.4
177.09105	0.8
179.38202	0.7
194.11581	0.7
195.10199	100.0
196.10495	6.3
239.09213	1.5
352.00574	0.9
417.24783	1.5
426.65500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03317	1.0
58.00463	1.6
59.01251	100.0
60.01582	1.6
69.03326	2.1
69.36260	1.2
69.38319	7.3
71.01253	54.9
72.01588	1.5
72.99165	2.4
73.02818	62.3
75.00746	4.3
75.33724	1.0
79.16531	1.3
81.03358	0.9
83.01255	19.8
85.02818	8.2
85.99966	2.1
87.00745	5.2
89.02325	7.9
93.03339	1.6
95.01273	2.3
95.04916	1.0
96.90998	1.1
96.95919	1.4
97.02845	1.4
98.19860	1.8
99.00764	2.0
101.02323	50.7
104.57314	1.1
105.81647	1.2
109.02795	1.1
111.00796	1.4
111.04430	1.4
113.02324	9.4
119.03421	2.6
125.02288	6.0
126.03117	1.3
131.03387	3.2
134.03621	1.4
137.02306	3.1
138.03160	1.3
139.11140	3.5
143.03410	2.9
149.04445	1.8
149.05737	1.3
151.00258	1.3
151.11177	4.3
152.04633	1.9
155.03476	1.5
161.04468	8.4
163.77589	1.0
165.01891	1.5
166.02567	2.4
167.10678	6.8
169.12244	7.2
177.09145	6.5
179.03383	2.2
179.10707	8.4
181.04987	5.1
195.10205	42.6
196.10539	1.7
227.03473	1.3
255.02953	1.6
284.03275	8.6
285.03894	5.4
305.06512	2.0
306.35928	1.2
313.16458	1.5
317.02658	1.1
331.17563	4.7
343.21283	1.3
399.15994	1.1
417.08368	6.7
417.17313	8.1
418.17557	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61932	0.8
55.01748	2.8
57.03319	1.5
58.00468	2.0
59.01251	100.0
60.01586	1.6
61.98691	0.9
67.01762	1.0
69.03339	2.7
70.36954	1.4
70.37330	1.9
71.01252	62.4
71.04852	0.8
72.99167	1.8
73.02818	74.0
74.56371	0.9
75.00739	2.8
76.58326	0.9
81.03323	1.5
83.01257	22.6
83.04906	2.4
84.62906	1.0
84.89108	0.8
85.02814	8.2
87.00749	2.6
88.64178	0.7
89.02319	8.2
93.03387	1.0
95.01287	1.2
95.04903	6.0
97.02832	2.1
97.06465	2.3
99.00778	1.6
101.02326	43.7
101.79432	0.8
104.17668	1.1
107.04912	8.7
109.02843	1.7
113.02326	11.7
113.17271	0.9
115.07536	5.6
119.03355	2.4
121.02831	1.3
125.02362	3.0
125.09565	1.1
131.03394	2.4
134.03621	1.0
135.08061	1.2
136.05194	3.1
137.02328	2.5
139.11186	4.4
143.03357	2.3
149.04391	1.3
149.09639	2.9
151.00290	1.1
151.11194	48.1
151.12434	2.3
152.11520	2.9
153.01851	1.7
153.12778	1.9
155.03384	1.2
161.02364	1.1
161.04492	6.5
164.08337	2.7
166.02614	1.1
167.10690	3.5
167.14334	1.4
169.12250	4.0
173.05911	1.1
177.09113	7.8
179.10696	1.0
181.05023	2.3
185.11760	4.3
193.12323	5.5
195.10201	78.4
196.10564	5.3
209.11729	1.0
211.13316	3.8
213.11272	11.7
255.06558	1.8
343.21231	2.8
417.12650	1.2
417.21405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.0
59.01255	79.1
61.98700	8.1
69.03337	6.9
69.23697	52.2
71.01242	16.2
75.00745	11.1
76.70051	6.0
83.01218	6.8
85.02830	9.7
89.02315	7.6
99.00716	6.1
101.02318	16.1
109.02840	7.3
125.02300	10.2
133.02847	10.5
137.02371	12.7
139.03918	6.4
151.00229	9.1
176.39261	6.6
179.03270	7.1
194.72748	6.7
213.11890	6.8
258.72903	6.5
284.03305	77.2
285.04010	97.5
286.04443	11.9
288.88977	6.6
417.08228	100.0
417.21667	9.1
418.08612	16.7
436.10596	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45375	1.0
55.01752	1.6
57.03314	1.6
58.00466	1.6
59.01251	100.0
60.01576	2.0
61.98705	7.0
62.32571	1.0
64.69978	0.9
67.82457	1.0
68.22072	0.9
69.03334	0.9
69.24239	6.3
69.24650	2.3
71.01250	36.5
72.99190	1.0
73.02812	11.2
75.00758	1.8
83.01266	3.9
85.02822	15.8
87.00727	1.4
89.02314	8.4
89.94015	0.9
95.01271	3.1
96.95902	1.0
97.02837	1.2
98.19713	2.1
99.00753	5.9
101.02323	25.1
111.08089	1.4
113.02335	16.4
114.11285	1.0
119.03378	3.9
125.02310	3.4
129.01810	1.3
139.07555	14.3
143.03377	3.8
151.00264	1.7
159.02890	3.7
161.02353	2.2
161.04466	46.7
162.04723	2.0
163.00314	0.9
165.09082	1.3
166.02623	1.0
167.03455	1.1
179.05495	1.3
195.10201	3.9
205.03506	2.4
207.78493	1.0
305.06561	1.2
357.15555	23.5
358.15955	2.6
417.12308	1.8
417.17169	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	415.2487
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
57.76828	0.5
59.01248	1.9
71.53620	0.6
79.75670	0.4
89.02325	0.8
114.65141	0.5
114.92300	0.5
117.03345	38.8
118.03655	1.4
119.04913	39.5
120.05238	1.3
121.02840	11.8
123.04411	4.0
124.16216	0.5
133.02855	3.4
134.03596	1.4
145.02850	71.2
146.03227	3.8
162.03137	2.9
163.03920	15.7
164.04247	0.9
190.95903	0.5
195.03433	0.5
209.18507	0.6
238.04799	0.5
279.23212	0.7
285.17761	0.5
316.15384	0.5
415.24872	100.0
416.25174	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	415.3216
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
56.11733	0.4
59.01253	0.7
64.23243	0.4
65.77961	0.3
69.51269	0.6
69.51676	1.9
77.68612	0.5
98.19846	1.0
99.04400	1.0
127.76149	0.4
333.31265	0.4
396.24307	0.4
415.32156	100.0
416.32489	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	416.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47235	4.7
59.01252	21.2
60.71821	5.2
61.98702	21.5
63.62322	4.7
65.06951	4.6
65.40217	4.9
69.47646	26.6
79.04144	5.1
97.76147	4.6
98.09660	5.3
133.02861	11.7
142.32404	6.2
167.25598	4.9
187.21509	6.6
252.94905	5.4
297.03958	6.6
318.16846	5.6
353.10324	100.0
354.10736	15.0
442.80386	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	415.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04079	0.5
55.01746	3.3
57.03316	2.8
58.00461	3.9
59.01247	99.3
59.54914	0.5
60.01584	1.1
65.72385	0.6
67.41100	0.6
69.03336	3.8
70.12727	0.9
70.13107	1.3
71.01250	85.3
72.01579	1.2
72.99176	6.5
73.02812	11.0
75.00739	1.7
81.03335	2.4
83.01250	7.4
84.02069	0.6
85.02822	18.6
85.99943	0.8
87.00743	15.0
89.02312	87.3
90.02676	1.0
91.03876	1.1
95.01248	4.1
97.02822	7.7
99.00742	4.2
99.04420	0.8
101.02318	66.0
102.02647	1.3
103.00243	1.0
111.00751	1.9
113.02319	29.3
115.03941	0.8
119.03383	28.1
121.02903	0.7
125.02328	14.1
131.03407	4.2
132.11470	0.6
141.01837	0.9
143.03400	10.1
148.38777	0.6
149.04462	3.2
161.04446	11.5
167.03426	1.2
179.05515	27.2
185.04497	2.1
221.06554	6.4
235.08165	14.4
236.08636	0.7
246.72038	0.7
253.09235	8.4
263.07632	5.3
285.74930	0.6
287.07678	2.1
305.08768	2.8
323.09689	1.3
341.46674	0.6
397.13257	0.9
415.14532	100.0
416.14862	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83173	0.8
57.03339	1.1
59.01252	2.4
71.53455	0.7
74.98963	7.0
77.00536	86.4
80.62152	0.8
83.59777	0.7
89.02277	1.0
99.04399	2.7
101.71045	0.9
109.06484	1.7
147.08084	3.8
149.09619	1.9
161.09608	1.2
163.11195	2.6
167.53476	0.9
186.56879	0.9
187.11208	2.4
279.13812	1.5
280.14447	1.0
289.21655	2.7
307.16949	1.0
309.22232	1.3
337.21713	100.0
338.22025	13.7
353.32816	0.7
369.87216	0.9
371.25861	2.6
372.26614	1.2
401.19620	0.8
415.23129	12.7
416.23828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Dendroside C
Peak:m/z	Relative Intensity
55.01754	3.8
55.04638	1.2
57.03329	5.8
58.00461	4.6
59.01250	82.7
60.01583	1.5
70.29682	2.5
70.30012	1.9
71.01249	100.0
72.01595	2.7
72.99178	8.6
73.02815	19.0
75.00751	1.9
81.03340	1.4
83.01252	10.0
85.02823	37.6
87.00760	4.0
89.02314	75.6
95.01254	5.8
95.04866	1.7
97.02859	1.7
97.99645	1.1
99.00760	5.4
101.02318	66.4
102.02655	1.9
107.01283	1.4
111.00767	2.7
113.02326	40.9
119.03381	39.5
119.04768	1.4
125.02330	12.8
129.01878	1.5
129.47922	1.2
131.03410	3.0
133.02856	4.2
137.02344	2.6
140.35945	1.2
142.99570	1.1
143.03383	5.5
145.02850	2.6
149.02435	1.5
149.04454	2.3
151.00241	2.0
159.02899	2.3
161.02347	4.0
161.04463	19.2
163.03972	1.3
165.01756	1.5
179.03419	2.5
179.05513	7.6
202.91411	1.2
253.14326	1.4
253.18034	1.5
285.03928	2.1
311.05557	4.1
327.18036	1.5
339.04816	5.5
343.04581	1.6
357.06049	2.9
371.07648	2.8
415.23407	34.0
416.23523	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	413.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	11.0
59.01251	100.0
60.01590	1.0
61.98703	1.2
64.57354	0.8
69.03329	1.3
70.42638	0.7
70.86358	2.1
71.04903	1.2
75.00702	0.8
81.03336	0.9
87.04404	1.4
89.02279	0.7
89.21761	0.7
95.04937	1.7
97.06481	3.1
101.02325	0.9
101.06049	0.8
107.80125	0.8
109.02836	4.0
111.08047	3.4
113.09588	2.0
119.04982	0.9
121.02870	1.4
121.06448	0.9
123.08055	4.6
125.02334	1.1
125.09606	17.0
126.09966	0.9
127.11174	18.4
127.63525	0.8
127.64568	0.8
128.11537	0.8
137.02365	1.4
137.09622	4.4
139.07594	1.2
151.11209	1.1
153.01903	4.3
153.03023	0.7
153.09161	1.8
155.10690	15.9
169.12189	1.0
171.10208	3.7
171.13831	17.7
172.14157	1.5
187.13339	1.5
199.13341	1.8
200.14114	6.5
201.14885	22.1
202.15184	0.9
208.05547	0.8
215.03450	1.4
215.16510	1.7
217.05002	1.1
224.12201	0.8
229.18034	2.9
232.13095	1.4
233.08194	2.8
241.17892	1.0
247.06116	1.3
251.20224	0.9
283.30246	0.9
291.23157	1.0
297.24536	2.0
309.24490	1.7
327.25385	85.1
328.25687	9.9
335.21921	0.9
351.25339	1.4
362.45187	0.8
369.26685	1.1
371.24319	10.5
413.12695	3.6
413.25690	14.9
414.25723	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22025	3.1
59.01251	100.0
71.29807	3.7
92.37326	3.1
144.96648	3.5
159.30527	3.2
297.69635	3.6
349.00293	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51753	1.7
57.25451	1.9
59.01250	100.0
60.01573	2.3
61.60640	1.8
61.68777	2.0
65.85947	2.1
68.09184	1.7
87.52610	2.0
107.04958	2.4
135.04417	6.1
244.98227	2.1
272.65964	2.0
413.61664	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	12.6
59.01252	100.0
60.01603	0.7
61.98707	1.8
62.66546	0.4
62.99841	0.4
69.03330	1.8
70.44134	1.4
71.01236	0.5
71.04922	1.3
71.16637	0.4
73.02831	0.8
75.89783	0.5
83.04900	0.6
85.02834	0.7
87.04395	1.2
95.04894	1.1
96.69813	0.6
97.06495	4.3
109.06474	0.7
111.08039	3.4
113.09612	2.4
121.06519	0.7
121.10139	0.5
123.08063	4.5
125.09608	15.8
126.09960	1.0
127.11180	19.0
127.12125	1.0
128.03470	1.3
128.11499	0.7
137.09627	5.0
139.07545	1.6
151.03918	0.8
153.09114	1.4
153.12794	1.0
155.10686	16.2
156.11000	0.7
157.12251	0.8
169.12267	1.5
171.10155	2.5
171.13815	18.0
172.14191	0.8
184.11008	0.9
187.13315	1.5
199.13310	1.3
200.14128	5.8
201.14891	19.3
202.15227	1.0
215.16478	2.0
229.18018	2.7
230.18497	0.6
232.13200	1.1
235.09903	0.5
241.18062	0.8
251.20113	0.7
256.03568	0.6
291.23337	1.5
297.24347	2.1
309.24362	1.8
327.25394	83.4
328.25754	9.3
336.22574	0.5
351.25330	2.4
353.23431	1.7
354.23837	0.7
369.26410	2.0
371.24338	9.9
372.24606	0.9
381.09747	0.6
413.12860	2.2
413.20502	0.8
413.25519	14.6
414.25662	2.1
424.89078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42712	0.6
59.01271	1.3
61.98692	4.0
78.32349	0.7
80.04073	0.7
82.02853	2.6
82.38528	0.7
84.00796	0.8
84.04408	2.5
85.03948	2.9
89.02315	0.7
92.64230	0.7
94.22324	0.6
97.03970	0.7
99.45343	0.6
101.07092	1.6
102.05475	4.6
102.76128	0.6
110.02391	1.2
111.05505	0.9
112.02660	1.6
113.03432	7.6
116.04929	3.7
117.03348	1.6
118.06464	0.6
119.04923	1.0
121.03967	0.9
123.05528	2.9
127.05040	2.2
128.04919	1.7
132.08047	1.7
135.04323	1.1
139.03841	0.9
141.06590	100.0
142.06902	2.4
153.10228	4.0
154.06107	2.6
156.06888	0.7
158.05826	0.8
167.04512	6.5
180.11349	2.5
182.27716	0.8
186.07826	1.1
200.05832	0.7
201.06573	1.4
201.74005	0.7
203.08176	2.4
214.07404	21.9
215.08188	13.9
216.08516	1.3
217.09756	1.7
228.09058	0.8
234.79453	0.9
243.14929	4.5
246.12430	8.0
252.07771	1.1
253.76617	0.8
254.15102	2.5
255.03229	0.6
255.15004	1.0
256.11911	1.2
259.10760	1.5
271.14496	27.1
272.14725	3.3
280.13278	0.7
295.13324	1.5
296.13937	2.0
299.15137	0.9
310.15680	2.1
339.18210	3.1
340.18417	0.7
354.20673	0.9
356.19757	1.2
369.22937	9.4
370.23218	1.3
413.21860	27.4
414.22253	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54299	0.2
56.09541	0.2
59.01004	0.2
59.01254	2.9
61.74858	0.2
63.02267	0.5
67.60823	0.2
69.03306	0.2
70.73683	0.4
71.01244	0.5
74.61816	0.2
79.02764	0.1
83.01266	0.2
85.02812	0.3
95.01255	0.3
95.04903	0.2
101.02309	0.3
108.02024	0.2
109.02798	1.0
109.06467	1.8
111.00787	0.3
113.23392	0.2
118.37093	0.2
119.04867	0.3
121.02842	3.0
122.03666	1.2
123.00772	0.2
124.01554	13.1
125.01828	0.3
131.08566	0.9
133.02881	0.3
133.06456	0.8
136.01547	0.5
137.02342	22.7
138.03172	3.7
139.03915	1.9
149.02350	8.4
149.05969	0.8
150.02773	0.3
151.00237	0.2
151.03903	3.6
152.04707	2.8
161.02272	0.6
163.03894	0.6
163.11237	0.3
164.04681	0.3
164.08328	1.2
166.02658	0.3
175.03842	0.2
177.01793	0.2
177.04057	0.3
177.05487	4.4
178.05843	0.3
189.09076	0.2
191.07071	0.5
192.07846	15.6
193.08226	1.0
196.07339	0.5
207.10199	100.0
208.10532	7.5
231.10040	0.3
233.08162	1.4
233.55301	0.2
235.09668	0.4
251.09221	2.6
252.09303	0.2
255.03018	0.3
283.02454	0.3
284.03177	0.4
285.04086	0.5
346.69077	0.2
378.40781	0.2
385.12811	0.2
395.11359	0.3
413.14536	16.7
414.14957	2.1
422.20285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32029	0.8
53.00993	0.8
55.01770	1.2
55.04520	0.8
55.84840	0.8
57.03317	2.0
58.39350	0.9
59.01251	14.6
61.98694	0.9
68.99696	1.7
69.03310	1.9
71.01250	23.6
71.19724	1.6
71.67116	0.7
72.99169	5.3
73.02820	2.2
75.00748	17.7
77.81036	1.0
78.79366	0.8
80.72446	0.8
81.03358	1.0
85.02819	28.2
87.00746	9.1
89.02313	7.8
91.03902	1.1
93.03363	1.6
95.01263	5.1
99.00759	12.9
100.84356	0.9
101.02335	1.3
103.00249	2.6
111.00739	1.4
113.02331	38.2
114.02679	1.3
114.72739	1.0
115.00265	2.4
117.01838	3.6
117.03362	3.8
119.04916	47.0
120.05274	1.8
121.02888	1.1
129.01834	3.0
139.00288	0.8
145.02852	20.6
146.03154	1.6
157.01311	1.3
163.03912	44.2
164.04306	2.1
164.84418	0.8
169.04950	0.8
175.02364	2.3
189.07332	1.0
207.05000	2.0
209.01006	1.2
237.07669	3.8
249.06123	23.1
249.08553	1.6
250.06589	1.6
267.07202	100.0
268.07526	8.1
332.14169	1.0
413.10886	36.3
414.11285	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
57.47830	1.1
58.00460	1.1
59.01250	11.6
69.03333	2.8
71.01254	21.6
71.53559	1.0
72.99178	4.0
75.00751	13.7
79.53964	1.0
81.03328	1.2
83.01273	1.9
85.02823	22.8
87.00752	8.9
89.02328	6.6
91.03864	1.8
95.01255	4.5
99.00761	8.4
101.02300	1.5
103.00257	3.3
111.00761	1.4
113.01542	1.5
113.02327	27.8
114.64431	1.5
115.00253	2.1
117.03336	2.5
119.04916	36.8
120.05225	2.2
123.04443	1.5
129.01851	2.2
141.52188	1.1
145.02849	17.9
146.03189	1.2
149.04494	1.5
163.03915	32.4
164.04343	1.4
175.02419	2.2
205.07141	1.3
207.04887	1.2
209.04369	2.2
237.07700	2.6
249.06120	26.9
267.07199	100.0
268.07639	4.9
395.09207	1.4
413.10928	44.6
414.10950	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	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01225	0.3
69.11173	0.3
71.11127	0.5
78.95774	68.8
96.96841	5.1
121.78454	0.3
150.97905	1.6
152.99486	100.0
153.99826	1.8
169.91481	0.3
171.00560	2.7
246.38974	0.3
255.23233	2.1
347.73392	0.3
409.23575	13.3
410.23868	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34929	3.1
59.01253	100.0
64.99340	2.9
65.53784	2.7
71.30235	4.4
86.70747	3.3
164.58505	3.1
173.44009	3.5
183.84331	3.2
295.57755	3.6
306.98282	3.3
424.65088	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	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.7
61.98702	100.0
70.28973	2.0
71.01244	2.6
76.33368	0.5
77.90505	0.5
85.02819	1.3
89.02334	1.7
101.02357	1.6
113.02338	1.3
125.02955	0.8
128.03448	2.4
130.46007	0.5
135.04408	0.7
141.12782	1.1
155.10750	0.6
166.53142	0.6
187.13307	4.6
327.25500	0.9
331.49371	0.6
349.18637	17.3
350.19125	1.9
413.12643	1.4
413.22015	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	409.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00171	1.2
55.01762	3.1
55.96592	1.2
59.01249	5.7
65.00190	3.6
69.03324	100.0
70.03635	1.3
70.86985	1.7
71.00877	1.1
71.01248	3.5
72.99177	4.3
78.95783	3.2
79.01778	2.1
82.27355	1.1
85.02831	3.5
95.01258	2.8
96.95887	3.7
97.02827	22.3
99.00163	2.1
99.00753	25.4
123.00799	1.4
133.06479	6.2
141.01881	7.4
151.00212	1.8
163.03821	1.4
175.07605	1.6
179.10738	2.4
185.00829	65.1
186.01161	2.6
203.01932	5.2
203.56415	1.4
219.06561	22.3
223.09679	1.2
243.06534	4.9
247.06155	2.3
285.04169	2.0
306.18805	1.1
329.06674	3.2
392.59760	1.2
409.11240	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	409.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.8
57.84782	0.4
59.01249	21.9
67.01778	1.0
69.03324	100.0
70.03655	1.7
70.74106	1.0
71.01257	3.2
72.99189	1.7
73.02807	0.9
78.95786	0.8
79.01761	1.9
83.01265	0.7
85.02824	2.0
91.20631	0.5
93.03305	0.5
95.01263	1.9
96.95885	10.0
97.02827	22.1
98.03124	0.6
99.00758	23.2
100.01138	0.7
101.02324	1.3
109.86120	0.5
113.02335	1.2
115.00249	0.5
119.04906	1.9
123.00793	1.7
125.02335	2.0
131.04517	1.0
141.01836	6.4
152.99498	0.7
161.04433	0.7
165.05460	0.9
179.10666	1.1
185.00832	45.9
186.01222	1.9
191.03532	0.7
194.99121	0.8
203.01884	7.4
203.03654	0.7
204.02249	0.7
209.04568	0.9
223.09685	0.5
269.86215	0.5
307.17773	1.2
311.09256	0.6
317.44830	0.5
321.02747	1.0
329.10269	6.5
409.11432	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	409.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.7
59.01250	29.0
64.11497	0.5
66.18903	0.5
67.01767	0.6
69.03325	100.0
70.03656	2.0
71.01256	3.9
71.01617	0.8
71.01954	0.4
72.99181	2.3
73.02823	0.6
73.30259	0.5
79.01767	1.6
79.95615	0.5
83.01251	0.7
85.02834	2.9
89.66352	0.5
95.01276	2.8
96.95891	10.8
97.02828	21.7
98.03165	1.1
99.00755	25.1
100.01092	0.6
101.02335	1.3
113.02318	1.4
119.04929	2.2
123.00771	1.9
125.02357	1.5
131.04530	0.7
135.04431	0.7
141.01828	5.8
151.00160	0.5
159.02884	0.8
161.04491	0.7
163.03804	0.5
165.05421	0.6
179.03348	0.6
179.10744	1.1
185.00841	41.6
186.01166	1.5
194.99216	0.9
203.01921	5.8
209.04445	1.5
223.06039	0.6
254.77940	0.6
307.17676	2.7
310.41925	0.5
321.02692	0.7
329.06686	1.1
329.10236	5.8
352.24078	0.5
385.02158	0.5
409.11038	1.7
409.19241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.4
60.15622	0.6
69.03324	100.0
69.67477	3.2
69.67817	0.7
70.03667	2.0
71.01253	1.2
72.99172	1.6
73.99954	0.6
79.01774	2.5
79.86654	0.5
85.02827	1.3
87.82693	0.6
88.94350	0.4
89.88926	0.5
95.01259	2.5
97.02827	17.2
98.03157	0.7
98.20499	1.1
99.00754	26.3
100.01066	0.7
113.02330	0.6
121.02819	0.8
123.00764	1.1
133.45436	0.5
141.01828	8.0
149.02364	3.2
164.04669	2.2
170.97070	0.5
178.38365	0.5
179.06970	0.6
185.00832	25.2
186.01147	1.4
193.01335	0.5
203.01877	0.8
208.03802	1.1
223.06047	3.9
262.19781	0.5
314.03717	0.5
376.33765	0.6
409.07877	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03038	0.4
58.91082	0.4
59.01250	100.0
60.01580	0.7
65.65939	0.5
71.01260	1.4
73.18733	0.4
84.63674	0.5
85.02835	1.3
101.02341	1.5
107.04985	0.5
113.02279	0.4
121.85949	0.4
161.02382	0.6
161.04520	0.7
183.57806	0.4
287.05405	0.4
305.16193	1.4
347.17191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98014	3.6
52.79280	3.3
58.63056	4.0
59.01243	6.0
69.03329	52.4
71.01235	4.3
72.99185	4.1
77.52432	3.6
79.01775	3.7
81.34624	3.8
85.02813	12.2
96.54827	3.6
97.02823	36.0
98.20376	5.1
99.00776	10.5
111.00734	5.5
121.02856	15.1
123.00762	6.3
135.04466	4.5
141.01852	43.1
147.04436	5.8
149.02351	100.0
150.02637	4.5
162.96970	4.4
164.04683	44.0
180.02841	3.5
185.00822	17.5
191.05511	7.2
193.01416	6.5
203.01997	5.3
208.03760	10.4
223.06056	74.7
224.06412	7.0
353.65521	3.7
420.71027	4.4
431.41699	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	407.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	54.9
61.98711	9.9
70.49142	11.9
71.01243	55.4
72.75771	5.3
72.99168	13.4
73.02804	7.9
75.00747	9.0
75.89658	4.7
79.95646	5.8
80.49075	5.3
85.02821	26.4
87.00735	11.1
89.02319	74.2
96.95872	9.7
99.00724	8.8
101.02325	38.4
103.00240	8.0
111.00756	34.7
112.98668	5.9
113.02319	20.6
118.97959	13.6
119.03362	25.1
125.02298	8.7
131.03378	7.5
135.04414	6.2
143.03387	9.0
156.14917	5.8
156.99486	5.6
161.04451	9.1
179.05519	41.2
186.18141	6.1
187.04114	7.8
191.05392	7.1
215.03052	7.5
217.05135	7.8
227.03311	9.0
243.03047	6.4
255.02919	17.8
256.03583	6.7
371.11868	100.0
407.09558	86.0
408.10681	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	407.1709
Annotation	Acetylhymenograndin
Peak:m/z	Relative Intensity
55.08023	0.9
59.01249	100.0
60.01582	1.5
61.98694	1.5
69.72839	0.9
71.01276	0.9
104.02569	2.9
133.13005	0.8
171.10176	1.0
201.12779	18.4
202.13170	1.1
219.13875	1.6
243.13797	0.8
245.11787	39.1
246.12146	3.4
251.91664	0.9
261.15073	2.8
263.12830	7.6
274.45294	0.8
305.13922	48.6
306.14291	5.8
323.14966	33.5
323.18814	1.3
324.15405	3.9
365.15994	35.3
366.16449	4.1
375.03406	0.9
407.27902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01749	0.9
57.03315	1.4
58.00452	2.0
59.01249	55.4
61.98429	0.6
61.98707	5.3
65.84945	0.6
69.71674	4.1
71.01252	51.8
72.01581	1.1
72.02861	0.6
72.99164	4.5
73.02810	2.3
78.67355	0.7
83.01260	2.7
85.02816	6.8
87.00744	2.3
89.01746	1.4
89.02312	27.4
95.01269	2.0
96.95895	7.2
97.02876	0.8
99.00734	1.0
101.02321	22.0
108.02052	1.1
113.02322	11.9
119.03390	12.6
123.00671	0.7
125.02324	1.5
127.11148	1.4
131.03345	0.8
131.44493	0.6
135.04390	0.9
139.11128	1.6
143.03415	1.6
145.02885	1.0
152.00990	1.2
153.12756	2.9
161.02310	1.1
161.04431	1.6
161.40648	0.7
166.98140	0.8
179.05537	2.7
181.12209	1.0
183.13789	1.3
199.13327	5.3
201.14886	6.9
207.13828	1.0
225.14879	1.6
345.19254	4.2
363.20245	10.1
364.20407	0.7
387.20251	1.6
405.21259	100.0
406.21643	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03325	0.7
58.00457	1.1
59.01252	26.0
61.98693	0.7
69.86864	1.3
70.65615	0.3
71.01254	14.1
71.02755	0.3
72.01580	0.4
72.99185	1.3
73.02812	3.6
80.26973	0.3
83.01254	0.9
85.02824	3.8
87.00748	0.6
87.04387	0.3
89.02321	14.1
89.21816	0.3
95.01254	1.1
95.04909	0.7
99.04376	0.9
101.02326	6.6
111.97265	0.3
112.52216	0.4
113.02317	4.3
114.06882	0.4
119.03399	5.4
121.06518	0.4
131.03436	0.5
135.15646	0.3
137.02328	0.6
143.03398	0.8
149.04492	0.6
161.04463	1.0
163.11212	3.2
179.05574	1.1
181.12265	20.5
182.12605	1.4
183.10214	0.3
207.10172	0.4
225.11276	100.0
226.11624	8.1
243.12419	1.2
248.85260	0.4
269.15436	0.3
405.17648	31.3
406.18094	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	403.1973
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01749	1.9
57.03309	3.5
59.00962	4.0
59.01250	63.3
61.98703	51.4
65.00183	1.5
69.42466	11.6
71.01253	28.6
72.99171	4.9
73.02823	8.6
74.02341	2.1
75.00741	2.0
83.01241	7.0
85.02822	13.1
87.00736	4.6
89.02308	5.3
95.01201	2.6
96.92538	1.6
98.20620	3.0
99.00747	2.9
101.02314	17.6
111.00824	2.1
113.02351	10.3
125.02335	5.0
131.41487	1.5
133.02820	2.7
135.04387	3.7
137.02342	2.9
139.03915	2.1
147.47154	1.5
151.00206	1.9
161.02377	2.1
161.04518	2.3
165.01765	2.1
180.45804	1.6
181.12245	3.9
199.03981	2.0
199.13344	8.7
219.06389	2.5
241.14249	1.7
261.92371	1.9
298.04779	3.8
299.05530	9.9
317.01178	2.8
317.19785	3.7
327.05060	20.0
328.05432	2.8
343.17642	15.9
361.18658	45.2
362.18787	4.3
367.07919	2.2
385.09302	12.8
386.09296	3.0
403.05280	3.1
403.10226	5.9
403.19699	100.0
404.20108	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	403.1973
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
53.97331	0.4
57.03324	0.7
59.01252	12.9
61.98703	8.2
69.03303	0.5
69.70012	1.4
69.70428	1.1
71.01250	8.1
72.09133	0.4
73.02818	1.2
80.02552	1.2
83.01253	0.7
85.02830	2.7
87.00756	1.0
89.02319	5.0
95.01234	1.2
97.02816	0.5
98.03607	8.7
99.00723	0.5
99.04395	0.8
101.02318	4.7
109.02843	1.2
113.02319	2.8
119.03399	1.8
123.04453	0.5
123.08040	2.1
125.02320	1.0
125.09619	2.2
137.02316	2.0
138.03085	0.5
141.09116	0.9
155.21429	0.4
161.02409	0.5
163.11174	1.2
165.01895	1.0
179.03423	0.6
179.14388	2.7
187.92790	0.4
197.11699	0.6
205.12285	0.7
223.13333	10.4
224.13609	0.7
241.14413	50.0
242.14722	3.8
261.04022	0.8
285.13452	0.6
293.06659	1.2
313.22775	0.4
403.19693	100.0
404.20090	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	403.1397
Annotation	Nitidanin
Peak:m/z	Relative Intensity
57.03320	5.0
59.01252	7.4
61.98703	17.2
69.03315	1.5
71.01246	2.4
73.02804	1.6
77.03859	0.8
78.18110	0.9
81.03313	3.1
83.01275	4.7
85.02817	2.0
89.02306	1.9
93.03340	2.0
95.01276	3.7
95.04900	3.0
97.02849	5.0
98.31390	1.0
101.02338	1.7
109.02831	15.7
111.04366	2.3
121.02834	2.2
122.55893	0.8
123.00787	5.7
123.04398	1.7
124.01546	3.4
125.02333	76.6
125.06070	1.0
126.02664	3.4
135.04408	3.7
135.08014	1.8
137.02344	25.8
137.05965	1.0
138.03107	2.2
139.03902	20.4
147.04404	1.7
149.02335	1.4
149.05972	2.2
151.03903	3.6
155.03381	1.6
159.04372	1.5
160.94664	1.1
161.02327	3.9
161.04518	1.3
162.03137	1.1
163.03905	2.0
164.01030	6.2
165.01848	20.6
166.02519	2.7
167.03403	20.9
175.03960	2.8
175.07564	1.0
177.01898	4.5
177.05518	4.7
178.02597	1.8
179.03423	18.7
179.07022	5.2
191.06987	4.8
193.04990	1.1
201.05527	2.3
203.03447	3.5
204.04274	3.1
209.08061	1.2
217.05023	1.1
218.05838	1.3
219.06555	17.3
220.07011	1.2
221.04523	10.0
223.09706	1.0
223.13339	1.5
233.08163	3.1
237.07626	1.3
243.06706	1.3
245.63741	1.1
247.02399	1.7
261.07678	4.4
263.09134	1.4
263.11725	0.9
273.11240	1.4
305.06653	100.0
306.07043	8.0
315.12155	1.4
359.11346	16.7
359.15268	1.6
360.11597	1.7
385.13046	2.3
403.14017	46.1
403.18466	1.7
404.14368	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	402.05
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61242	1.8
59.01247	47.8
67.24822	1.8
71.00894	2.8
71.01247	30.6
71.53052	2.4
72.99192	4.1
74.65538	1.6
83.01268	2.7
85.02824	11.8
89.02316	33.7
95.01264	3.6
96.95881	2.9
101.02321	22.5
109.02807	5.6
113.02332	17.4
116.04944	21.5
119.03362	13.8
125.02336	2.0
130.25365	2.5
151.92758	2.2
153.01833	13.4
160.03935	41.5
161.04265	2.8
174.05537	2.3
174.82756	2.1
175.64992	1.9
179.05362	2.7
191.01903	2.2
202.04993	24.6
232.06178	4.7
239.99744	2.2
259.01300	2.7
262.07150	25.1
263.07281	2.9
269.04959	1.9
322.09320	54.7
323.09534	6.5
331.17386	2.2
346.17023	2.0
402.04944	100.0
403.04684	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	402.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15270	3.6
55.70851	3.3
59.01241	12.8
61.98700	46.4
71.44424	3.7
98.19926	3.8
104.20284	3.7
114.76577	3.6
121.02859	4.0
135.04410	100.0
136.04738	6.1
139.05794	3.7
146.92821	3.5
159.08070	4.8
203.07045	9.8
215.03429	6.7
221.08128	26.0
221.23904	3.8
229.04987	4.4
230.05727	16.2
274.04871	40.7
339.12302	52.6
340.12854	7.9
388.07397	3.8
403.13919	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.8
59.01251	100.0
70.10020	6.0
71.01254	28.4
72.99181	22.6
73.02821	19.1
83.01244	11.6
83.30565	1.8
85.02821	16.2
85.30759	1.9
89.02325	13.6
99.00742	2.5
101.02322	24.2
113.02344	13.4
119.03391	5.3
119.04911	26.0
120.05284	2.8
123.04381	2.4
124.01503	2.7
125.02322	9.0
129.01808	2.7
131.03529	2.2
137.02319	5.8
143.03392	2.6
149.04510	2.3
153.01901	2.4
161.04474	8.3
203.07083	2.8
205.03575	2.4
215.07129	2.9
225.04761	2.1
233.08130	5.1
239.72894	1.8
247.05994	5.6
260.54156	2.3
281.10291	31.0
282.10519	3.3
289.07159	2.2
299.11401	6.2
300.11719	1.8
303.04929	2.6
321.06113	3.9
323.32324	2.2
341.12573	9.6
352.61111	1.8
401.01883	24.9
401.06702	3.7
402.02267	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	401.2694
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01762	1.3
59.01262	1.2
59.10455	0.6
61.45099	0.7
63.61938	0.6
69.03323	11.6
69.51165	3.4
71.01236	0.7
74.46622	0.5
97.06431	0.7
99.03722	1.1
99.04392	21.8
114.36028	0.7
121.02871	3.8
137.09613	0.7
155.30806	0.6
165.12758	1.2
275.23782	7.5
276.23962	0.8
301.21738	10.3
302.22153	1.1
313.07361	0.8
319.22723	8.9
320.22842	0.8
401.26953	100.0
402.27338	15.3
426.68860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
56.11966	1.2
57.73029	1.2
59.01231	1.7
65.10033	1.1
69.03342	10.2
70.72942	2.0
70.73286	2.8
75.80441	1.3
78.95747	1.5
92.59666	1.4
97.06477	2.2
99.04398	36.3
100.04728	1.6
112.93565	2.0
121.02810	6.0
131.25980	1.4
152.99483	1.4
153.06198	1.2
231.48630	1.3
255.57002	1.3
275.23868	7.3
291.96057	1.4
301.21777	14.1
319.22754	7.6
401.08807	2.1
401.26944	100.0
402.27338	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	401.1239
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
54.33337	0.3
57.03323	11.2
57.90374	0.3
58.96527	0.3
59.01250	4.2
65.00185	1.6
67.01764	0.3
69.03316	0.4
71.01243	0.4
83.01246	1.3
89.02318	0.7
95.01236	0.8
98.20625	0.7
101.24148	0.3
104.69071	0.4
107.01276	0.4
107.04894	0.6
107.08548	0.6
108.02057	0.4
109.02815	0.6
109.06473	3.0
111.00777	0.6
121.02857	5.5
123.00763	0.9
124.01559	23.2
125.02452	1.6
125.09618	10.3
126.09922	0.5
133.06476	2.6
136.01578	1.1
137.02345	11.2
138.03142	3.3
139.00208	0.4
148.01585	1.0
149.02368	2.2
149.09641	5.0
150.03152	1.5
150.04765	0.3
151.00276	1.2
151.04045	0.5
151.07559	3.9
152.01013	2.2
161.02367	0.6
163.00278	1.1
164.01060	11.1
165.01862	2.6
166.02620	2.4
170.86278	0.3
175.00238	0.6
175.03914	0.9
176.00961	0.4
177.01842	9.3
177.05460	0.5
178.02281	0.6
178.99850	0.7
179.03436	2.9
182.06827	0.4
188.04640	0.5
189.01836	0.7
190.02658	1.6
191.07086	0.6
192.00594	10.9
192.07834	0.8
193.01183	1.4
193.08632	100.0
194.08987	6.5
201.01852	0.5
201.05437	0.3
203.03444	0.6
204.04187	0.3
205.04950	1.6
207.02934	15.1
208.03654	4.1
214.02715	0.4
219.06567	3.9
220.07291	2.6
221.08069	1.3
227.03456	0.5
230.05719	0.4
231.02916	0.5
232.03743	2.8
233.07986	0.4
234.01630	0.5
243.06610	0.6
245.04286	0.5
247.06094	3.4
248.06599	0.4
255.02895	0.5
271.02481	0.7
300.10019	0.9
313.07132	1.3
314.04080	0.6
315.12433	0.5
324.09985	0.5
325.03552	0.4
341.10593	0.5
342.10971	1.0
357.06204	0.4
357.13428	1.4
368.09018	1.5
373.12930	6.2
374.13068	0.8
383.11374	3.6
401.12469	23.7
402.12817	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77307	2.4
51.91731	2.0
59.01251	12.3
63.34556	2.4
71.01240	15.2
71.51973	3.4
72.99165	4.0
73.02809	3.0
85.02834	21.3
87.00753	55.5
89.02316	9.0
94.95576	2.9
99.00754	2.7
99.15903	2.9
101.02290	6.5
109.02853	2.4
111.00796	3.3
113.02309	8.2
119.03349	2.6
129.01785	3.4
137.02359	5.7
149.02341	2.9
151.03964	5.4
161.02319	4.5
161.92511	2.4
163.03947	4.9
164.04689	9.2
166.02608	4.9
176.04697	5.3
178.06293	5.3
179.03397	8.9
179.05566	2.8
179.07031	24.9
180.07404	2.3
181.04984	12.8
188.21344	2.4
191.01863	4.4
191.03468	6.5
191.05447	4.6
191.07005	4.1
192.03970	3.1
193.05011	6.3
193.54018	2.2
194.05731	7.7
195.06590	6.9
203.07043	2.8
205.05029	6.3
206.05711	4.6
209.02966	10.8
209.08110	15.0
221.04565	4.0
237.07664	6.3
249.05980	3.9
262.04770	3.5
265.07169	73.1
266.07529	6.1
267.07230	13.0
277.07104	10.9
295.08212	36.8
325.09283	11.4
341.10873	13.0
355.10339	10.4
383.09775	4.5
401.01953	4.9
401.10880	100.0
402.11417	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.1
58.00463	0.8
58.63246	0.7
59.01252	13.3
61.98691	2.2
68.99686	1.6
70.39405	2.5
71.01247	15.2
72.99165	3.9
73.02806	2.2
75.00747	16.2
83.01287	1.1
85.02822	18.9
87.00744	7.1
89.02332	3.9
93.03339	0.8
95.01234	3.7
98.20261	1.7
99.00753	9.7
103.00245	1.5
104.88956	0.8
106.04137	1.9
107.04924	9.7
108.02026	1.5
109.02826	1.1
111.00752	1.2
113.02335	25.4
115.00278	2.0
117.01814	2.6
121.02818	1.6
123.04377	4.2
129.01819	1.9
133.02831	8.1
151.03917	18.3
152.04207	1.2
175.02385	3.3
205.07149	1.0
207.05110	1.4
225.07658	1.5
231.05035	2.3
234.00746	0.8
249.06148	29.8
250.06453	2.2
266.00366	0.8
267.07220	53.7
268.07599	2.8
341.08914	1.0
383.09766	2.2
401.10873	100.0
402.11142	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	2.0
61.98700	0.8
71.01253	2.3
71.53287	0.8
80.05765	0.8
85.02820	3.9
96.95908	1.3
101.02311	1.3
103.32605	0.7
111.00750	1.0
121.02838	1.2
125.02330	0.9
129.01868	1.0
133.06493	1.8
149.02373	1.1
153.01698	1.0
176.41620	0.8
177.01883	1.9
219.06544	1.3
223.04478	1.2
237.07709	1.2
261.07721	2.8
279.08725	3.1
284.03122	1.3
285.04230	1.4
399.06992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01252	3.7
63.02251	0.9
64.99854	0.7
65.00197	12.4
68.99678	0.8
70.86977	1.6
71.01242	2.0
72.25655	0.7
73.02822	0.9
73.46963	0.6
74.74985	0.7
79.01767	0.9
81.03342	0.9
83.01257	2.4
85.02818	2.2
93.03350	1.4
95.01252	1.1
96.95850	1.3
97.02840	1.0
101.02320	1.1
107.01316	0.8
107.04870	0.7
109.02820	1.3
109.06474	1.8
113.02325	1.5
121.02782	1.0
123.00736	1.2
124.01555	3.5
125.02303	1.5
125.09470	0.7
128.24973	0.7
130.13696	0.7
133.02826	1.1
133.06494	32.1
134.03551	0.8
134.06841	1.4
135.04417	1.6
136.01543	0.9
137.02353	3.0
138.03088	1.0
147.08102	0.8
148.01564	1.6
149.05922	1.0
149.09639	5.0
149.99518	1.2
151.00305	2.0
151.07544	3.0
153.01743	0.7
161.09785	0.8
163.00255	2.2
163.07709	0.8
164.01041	3.8
165.01817	1.8
165.09120	2.0
166.02666	1.0
166.99673	0.7
175.07574	2.7
176.00998	0.7
177.01799	0.7
181.01256	0.7
187.07593	1.6
189.09146	2.1
191.07057	2.0
192.00601	5.6
193.08644	8.5
193.99129	0.8
205.01418	0.9
205.08646	2.7
217.08655	8.1
219.06566	23.6
220.06892	1.2
222.01637	2.2
223.09650	1.3
231.06575	8.5
232.07161	1.4
233.08133	9.4
235.09634	0.8
237.07645	18.3
238.08043	1.3
238.10339	0.7
247.09732	1.2
249.07646	2.3
261.07660	60.1
262.07968	4.0
273.07629	1.3
279.08728	100.0
280.09085	7.1
284.03235	0.8
291.08749	15.4
292.09119	0.9
309.09802	24.3
310.10089	2.1
311.05707	0.6
381.11917	2.9
398.98520	0.8
399.07959	0.8
399.12918	8.7
400.13278	0.8
403.82397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1085
Annotation	Piscidanol
Peak:m/z	Relative Intensity
59.01251	7.7
66.94358	0.4
67.16415	0.3
68.99664	0.6
69.54220	1.2
69.54625	0.8
71.01228	0.8
72.99151	0.5
77.03812	0.7
79.01749	1.6
79.22708	0.3
81.98603	0.3
85.02830	0.8
93.03307	0.4
96.95840	0.5
97.02792	0.3
105.03280	0.3
109.02810	1.5
116.97643	0.3
119.04888	0.6
121.02814	1.4
125.02309	0.8
125.42319	0.4
133.02847	12.6
135.04425	1.6
137.02336	0.4
145.02818	1.4
148.01552	0.5
149.02370	0.8
151.03854	0.5
161.02290	0.6
163.03912	3.1
165.01837	1.0
173.02443	0.4
175.03905	2.6
177.01776	0.8
189.01868	1.2
190.99759	1.8
191.01660	0.3
191.03348	1.9
193.01346	7.6
194.01518	0.4
199.03975	0.6
201.01857	1.9
204.00566	0.4
207.02824	0.4
211.03807	0.4
213.05579	2.0
225.05536	0.8
227.03394	0.5
227.07144	0.4
229.05135	0.5
237.05499	0.9
237.07661	1.2
239.07065	0.5
241.04671	0.4
253.05162	0.9
255.06622	0.6
256.03867	0.4
257.04456	0.7
265.05069	0.3
269.04623	0.7
271.06000	0.4
280.90262	0.3
281.04553	1.0
283.06210	0.5
285.03955	1.0
297.03970	0.8
298.04758	0.8
299.05600	16.1
300.05850	1.2
311.05539	1.3
312.06409	0.4
323.05557	2.5
325.03528	11.9
326.03949	1.3
327.05078	100.0
328.05423	9.5
338.04333	2.2
353.10178	0.9
381.09775	9.4
382.10141	0.8
399.10849	38.4
400.11374	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	399.1083
Annotation	69306-85-0
Peak:m/z	Relative Intensity
59.01241	1.5
71.19296	1.1
74.27228	0.6
74.35601	0.7
79.01760	3.7
91.05415	1.5
93.03319	1.8
97.26905	0.6
107.04897	0.6
109.02827	5.1
111.04397	1.0
111.06918	0.7
113.41786	0.7
119.04911	1.0
119.26268	0.7
121.02858	4.4
125.05959	1.6
135.04419	8.3
137.05963	1.1
139.03931	1.3
141.61278	0.7
143.46860	0.7
149.02344	2.7
149.05957	1.0
151.03929	0.9
163.03899	1.7
177.01865	1.1
178.02631	1.1
179.03384	7.7
180.60449	0.5
191.03348	3.0
197.04417	0.8
201.05420	1.2
205.08672	0.7
207.02859	1.5
213.05560	0.6
219.02879	0.8
220.03889	0.7
226.06357	0.9
227.07118	0.9
231.06621	1.0
239.07013	1.0
241.05011	0.9
249.07669	2.7
250.26065	0.7
253.05022	0.9
254.05844	4.2
255.02896	1.0
255.06575	4.9
256.03711	1.0
257.04550	4.6
263.09128	0.8
271.03192	0.8
271.06128	15.7
272.06522	1.4
282.05219	4.3
283.06058	2.9
284.03391	0.7
285.04022	3.9
286.04724	0.8
299.05621	26.7
300.05960	4.1
328.05792	11.5
329.06635	32.5
330.06989	2.8
354.10223	0.7
360.04871	2.9
363.08609	1.0
381.09778	6.2
399.10815	100.0
400.11172	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.7
57.03323	17.3
59.01249	5.5
66.52654	1.3
67.52225	1.5
68.99703	1.8
69.93737	1.4
70.40104	4.6
71.01250	11.3
72.99174	2.5
73.02813	2.4
74.99372	1.2
75.00748	3.6
78.13437	1.4
83.01256	12.1
84.02055	3.1
85.02824	100.0
86.03160	3.0
87.00721	2.2
93.03338	5.9
94.03648	1.8
99.00739	1.5
101.02314	8.8
111.00767	40.1
111.04410	1.6
120.96006	1.6
129.01826	34.3
134.03650	17.2
137.02341	2.2
143.03394	2.4
147.02885	3.0
149.02393	3.5
149.05971	2.0
149.73058	1.3
150.02988	1.6
161.04463	2.0
164.04677	1.8
173.04480	11.4
174.04823	5.1
175.04955	6.4
181.73798	1.3
187.02458	2.0
193.05029	8.4
205.03479	35.1
223.04550	95.5
224.04805	2.5
285.03940	3.1
361.85065	1.6
399.07489	4.1
414.97617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1085
Annotation	Lisetin hydrate
Peak:m/z	Relative Intensity
50.87420	0.2
51.39287	0.2
59.01239	0.5
61.96294	0.2
66.91620	0.2
70.09441	0.6
71.01257	0.2
79.01772	0.3
81.79284	0.2
85.02810	0.5
107.01321	0.3
117.03288	0.2
121.02775	0.2
125.02332	0.2
129.01807	0.2
132.02045	0.4
133.02846	17.8
134.03157	0.6
135.04388	0.5
137.33862	0.2
145.02844	1.2
149.02425	0.2
149.05879	0.4
151.00285	0.3
159.04422	0.4
161.02332	0.7
162.03139	0.2
163.03819	0.4
175.03973	0.2
177.01849	0.3
177.05495	0.9
179.03334	0.4
187.03937	1.9
189.00284	0.4
189.01860	5.4
190.02229	0.4
195.06540	0.3
201.01836	0.5
205.05017	0.2
207.02855	0.2
211.03896	0.3
213.05473	0.4
225.05635	0.3
227.07140	0.8
229.04993	2.0
233.05997	0.2
239.07005	0.3
244.11024	0.2
245.08434	0.2
247.06113	0.5
249.05458	0.5
250.06181	0.3
251.07074	0.9
253.05011	0.7
264.04269	0.7
267.06458	0.3
277.05060	0.4
278.05679	0.3
279.06641	1.0
280.04135	0.2
281.04605	1.3
283.05896	0.4
295.06177	1.3
297.03967	0.4
298.04816	1.8
299.02185	0.2
299.05637	0.5
305.04587	0.7
311.05579	0.8
312.06396	1.2
313.07178	2.1
314.07550	0.2
319.09781	0.4
321.04181	0.3
321.07669	0.4
322.04825	0.4
323.05582	33.8
324.05936	3.5
327.05106	1.1
329.06644	0.5
338.04330	1.3
341.06628	3.3
342.07123	0.3
353.10309	0.7
355.07651	0.6
363.08740	3.3
364.09036	0.4
365.06677	0.7
381.09778	16.0
382.10220	2.1
399.10815	100.0
400.11163	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87392	0.7
55.01756	4.3
57.03326	20.5
58.03654	1.0
59.01244	1.8
67.01768	1.9
69.75909	2.5
71.01237	7.6
72.99186	1.6
73.02815	3.0
75.00748	1.8
83.01253	10.6
84.02048	2.2
85.02824	100.0
86.03165	2.3
86.52015	0.7
88.34738	0.6
99.00757	0.9
101.02335	4.8
102.84372	0.7
111.00768	28.1
117.03357	1.8
129.01831	39.4
130.02213	0.8
134.03633	19.1
135.03960	0.9
138.40895	0.8
147.02888	0.9
149.05939	0.9
156.95755	0.7
160.01575	0.7
161.04460	2.4
175.03946	0.9
178.02626	1.3
179.05644	0.7
187.02408	1.8
193.04997	12.6
195.06461	0.8
202.47618	0.7
205.01631	1.4
205.03482	21.2
223.04530	17.3
224.04973	1.6
261.07520	0.8
271.44205	0.7
313.61288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.9
57.03323	14.6
59.01247	4.3
61.98698	3.5
64.04292	1.1
67.15036	0.9
71.01256	7.6
72.99168	2.3
73.02821	1.7
75.00741	3.0
83.01262	8.9
84.02040	2.3
85.02823	80.1
87.00739	1.3
99.00772	1.1
99.28571	1.0
101.02322	6.1
111.00766	30.3
116.56222	1.0
129.01833	33.3
130.02220	1.0
134.03629	9.9
147.02829	1.3
156.89302	1.1
160.01579	1.1
161.04379	1.5
187.02348	1.3
193.04999	6.5
205.03479	33.1
206.03816	1.0
223.04544	100.0
224.04871	3.7
299.44678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43548	0.9
55.01754	3.7
57.03322	15.4
59.01244	1.8
59.07450	1.0
60.63710	1.2
63.41060	1.0
67.01768	1.8
67.55878	0.9
70.10339	3.9
71.01247	7.0
72.99182	1.0
73.02807	2.6
75.00727	1.3
83.01257	10.4
84.02038	2.5
85.02821	100.0
86.03199	2.1
98.20558	1.6
101.02325	6.5
111.00765	28.5
117.03327	1.9
129.01826	37.8
130.02145	1.2
134.03633	11.1
137.02339	1.3
139.34697	1.0
161.04477	1.8
187.02324	1.9
193.04958	7.5
205.03484	22.6
206.03693	1.3
223.04538	24.5
278.07510	1.7
282.81506	1.3
399.09204	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	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.3
57.03323	18.7
59.01241	1.1
67.01756	1.5
68.99670	0.7
71.00891	0.7
71.01252	7.2
71.02328	1.0
72.99181	1.9
73.02819	2.4
75.00743	1.8
83.01255	11.4
84.02053	2.8
85.02821	100.0
85.65733	0.4
86.03129	2.0
87.00730	0.6
99.00789	0.7
101.02305	5.0
101.82149	0.5
103.03905	0.5
111.00761	28.5
112.01126	0.7
117.03339	1.3
129.01828	42.1
130.02155	1.1
133.04996	0.4
134.03630	12.9
135.04002	0.4
137.02440	0.4
149.05966	1.0
160.01544	1.4
161.04436	2.9
175.03853	0.8
177.03925	0.8
178.02617	1.2
179.05476	0.7
185.17574	0.4
187.02446	1.1
193.04971	7.0
205.03470	25.4
206.03822	1.1
223.04536	22.2
224.04866	1.2
240.83490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14882	1.6
56.99567	1.3
59.01260	2.9
78.95751	1.5
79.06427	1.4
79.95595	11.1
96.95889	95.4
100.97829	1.6
118.94838	1.6
122.97469	5.4
123.97097	1.4
146.75708	1.4
152.99484	1.5
176.55057	1.8
246.40604	1.5
313.80124	1.6
397.22644	100.0
397.33023	3.7
398.22968	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	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	9.8
57.03320	13.4
57.77848	2.5
58.00475	3.7
59.01244	50.9
65.00191	2.6
69.03352	3.3
71.01251	67.3
72.99184	13.6
73.02826	10.5
78.95765	2.9
83.01254	39.5
84.02013	4.5
85.02819	100.0
87.00732	5.5
89.02304	24.1
93.03385	4.0
95.01266	5.2
96.95885	19.0
97.42611	2.9
99.00777	9.8
101.02325	28.7
101.02938	4.0
107.01334	3.3
109.02811	4.3
111.00758	28.0
112.01076	3.2
113.02328	16.9
115.00226	4.6
117.01902	3.9
117.03340	10.3
119.03394	5.2
121.02843	8.3
125.02343	7.1
129.01840	41.3
132.02078	4.1
133.01323	6.9
133.12338	3.5
134.03635	77.4
137.02347	8.0
143.03386	23.1
147.02846	5.8
149.05997	9.5
151.00247	5.7
154.99771	10.6
160.01576	11.5
161.02336	8.1
161.04434	21.6
171.10197	6.4
173.00830	44.4
173.04140	2.9
174.27612	2.6
175.03894	19.3
182.46751	3.2
191.01903	34.7
193.04987	77.6
194.05409	3.7
205.03423	5.5
223.04553	24.5
233.08116	3.4
237.07726	4.5
251.11316	84.1
252.11758	4.5
261.07693	12.6
285.03815	3.9
317.01108	7.0
319.01227	6.1
349.05466	5.8
367.06546	4.6
399.08133	3.2
399.12881	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	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.6
59.01241	2.2
71.53207	0.6
72.24844	0.6
81.03295	1.5
82.92410	0.5
83.01244	3.8
101.02383	0.6
107.08573	0.7
109.06454	2.7
109.62531	0.6
113.02338	0.7
123.04388	2.2
124.01546	0.7
125.02343	0.7
125.09586	1.1
133.06447	1.9
135.04445	0.6
136.43401	0.7
149.09604	4.0
151.07562	1.6
155.19179	0.6
164.04707	2.3
166.02592	1.2
177.01921	0.7
179.03432	1.6
180.04166	2.1
182.52829	0.7
191.03445	2.0
191.10718	11.1
192.04175	4.1
193.08614	11.4
194.08911	0.7
194.24121	0.6
217.08699	0.9
219.06561	1.3
235.09705	100.0
236.10081	8.6
259.09598	1.2
277.10818	2.0
309.04294	0.6
397.09180	2.5
397.14935	1.9
397.69000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
57.01247	1.3
59.01248	1.8
69.59180	7.3
71.01235	1.4
78.09581	1.1
82.78481	1.2
83.04903	2.1
85.02815	1.4
89.03862	1.3
91.05357	1.3
93.03326	3.1
102.92643	1.5
105.41291	1.1
106.41347	1.1
111.04385	5.3
117.03342	2.6
121.02848	11.6
132.02094	2.1
147.04395	5.8
149.02339	91.1
150.02655	3.6
155.03432	2.2
164.04703	62.0
165.05020	3.5
173.04443	10.2
179.07056	4.0
191.05496	7.6
223.06068	100.0
224.06381	5.4
310.37747	1.3
319.65686	1.5
397.11255	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10670	0.3
50.37568	0.2
57.03316	1.1
58.00456	0.2
59.01258	1.7
60.99171	0.6
65.03825	0.2
66.53698	0.2
67.01761	5.7
69.03320	1.5
69.30336	1.7
71.01254	3.5
71.04850	0.3
72.99176	0.3
73.02835	0.2
78.34142	0.2
81.03334	0.9
83.01246	0.3
83.04896	0.9
85.02831	1.1
87.00753	0.5
93.03334	30.8
94.03648	1.1
109.02833	0.9
111.00742	1.2
111.04401	4.4
113.02334	0.5
117.03295	0.4
119.04906	0.3
121.02831	2.6
127.03915	0.5
132.02055	0.6
137.02330	4.4
138.02687	0.3
147.04428	1.4
149.02348	18.6
150.02681	0.8
155.03403	4.8
164.04700	9.6
165.05025	0.6
173.04469	100.0
174.04822	4.3
179.07083	0.4
179.89073	0.2
189.23718	0.2
191.05534	0.9
193.01399	1.0
223.06065	14.1
224.06483	0.7
246.46848	0.2
310.65054	0.2
345.83337	0.3
354.98502	0.2
397.11636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01249	2.1
60.99171	0.4
65.03835	0.2
67.01761	5.5
68.15943	0.2
69.03341	1.1
71.01252	4.1
72.99171	0.3
73.02829	0.3
80.56248	0.2
81.03321	1.1
83.01247	0.4
83.04907	1.5
85.02810	2.3
87.00753	0.7
88.47278	0.2
89.02323	0.3
93.03336	28.6
94.03661	1.0
95.01248	0.4
96.02072	0.2
96.95897	0.2
99.00748	0.3
99.04420	0.4
101.02299	0.4
109.02842	1.0
111.00764	1.0
111.04404	5.4
113.02343	0.8
119.03424	0.2
119.04903	0.4
121.02840	2.6
127.03918	0.7
132.02063	0.3
135.04437	0.3
137.02345	4.6
138.02660	0.2
147.04428	1.2
149.02348	17.9
150.02733	0.8
152.00978	0.2
155.03413	4.3
163.03975	0.2
164.04704	12.9
165.05051	0.6
166.02687	0.3
173.04471	100.0
174.04819	4.1
174.06207	0.3
179.07028	1.2
180.07275	0.2
191.05542	3.8
191.07138	0.3
208.03769	0.3
223.06073	14.6
224.06419	0.9
235.09764	0.8
277.07504	0.2
325.12595	0.2
356.54163	0.2
397.02362	0.2
397.11179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.9692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61186	0.3
57.03298	0.3
59.01248	1.1
62.01384	0.3
63.02272	2.3
65.00194	8.4
69.33209	2.5
71.01250	3.3
73.02806	0.5
83.01247	3.8
85.02809	2.1
95.01257	0.5
101.02281	0.4
101.29153	0.3
107.01274	12.2
112.93655	0.4
113.02331	3.6
151.00273	29.9
152.00647	0.8
152.99464	0.4
159.46442	0.3
161.04416	0.6
165.00061	17.2
166.00389	0.7
169.01305	0.6
211.03831	0.3
254.62062	0.3
255.02922	3.8
256.03702	1.5
257.04492	4.3
273.02042	0.3
283.02460	2.8
284.03238	4.1
285.04013	0.9
317.01224	100.0
318.01584	9.6
396.96869	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95516	30.3
55.44978	34.7
65.28188	32.4
65.55917	29.1
98.01291	37.5
98.20564	100.0
112.67279	31.9
115.05836	37.5
131.83937	38.4
206.16374	38.5
233.50568	33.5
233.82056	37.2
245.79768	37.2
415.50067	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.9
59.01249	78.3
68.99710	4.1
69.03328	73.2
70.03658	2.8
71.01256	30.2
71.52858	2.6
73.02811	5.8
81.03307	3.2
83.01272	7.3
85.02824	7.7
87.00768	4.8
89.02351	3.9
93.03326	3.5
95.01255	9.3
96.95874	3.9
97.02836	23.7
99.00751	47.1
100.01120	2.5
101.02299	10.1
108.02064	8.3
109.02833	3.5
111.00767	11.9
113.02307	3.3
121.02859	5.6
122.03613	3.4
123.00762	6.3
123.04378	7.9
124.01536	5.2
125.02364	5.2
131.04878	5.8
132.02083	9.0
133.02864	3.6
134.03600	23.4
135.04401	9.0
136.05128	3.5
137.02344	3.1
140.21277	2.6
141.01808	11.1
145.02843	13.5
146.03632	33.0
147.04451	18.9
148.01538	14.4
148.05231	20.8
149.02304	6.6
149.05997	20.0
150.03149	13.3
151.00218	6.2
158.03610	10.5
158.40425	3.1
159.04472	20.8
160.01587	34.6
160.05199	29.5
161.02345	21.3
161.05983	23.0
162.03120	61.4
162.06749	4.4
163.03897	22.5
163.07585	8.0
164.04671	7.1
165.05447	6.1
171.04398	7.5
172.05260	17.7
172.06477	2.5
173.02365	3.5
173.06000	33.0
174.03091	12.7
175.03928	61.6
175.07530	10.2
176.01071	3.0
176.04657	12.1
177.05482	100.0
178.06197	13.7
179.07025	6.2
184.05186	9.7
185.00824	24.7
185.05984	19.8
186.01329	5.4
186.03165	9.2
186.06796	6.8
187.03964	19.3
187.07564	5.1
188.00999	3.5
188.04707	76.1
189.05510	23.1
190.02625	32.3
190.06201	14.2
191.03337	6.4
191.07065	12.0
192.04160	2.9
193.04950	6.4
193.08669	7.8
194.02133	12.0
199.07570	5.5
201.05521	14.1
202.06306	21.2
203.01906	49.8
203.03546	4.2
203.07053	26.2
204.02303	4.4
204.04213	26.6
205.04993	41.5
205.08594	5.2
207.06554	9.3
209.04475	10.5
210.07912	2.8
211.03972	3.6
213.05515	8.3
214.06261	15.3
215.03447	8.2
216.04124	12.8
217.04947	8.4
217.08635	38.7
218.02176	9.6
219.02902	7.7
219.06572	70.9
220.03760	4.2
221.08125	44.9
222.08427	3.0
223.06085	3.4
226.06464	3.5
229.05058	9.7
229.08636	9.6
230.05688	3.2
231.06570	55.4
232.07181	13.4
233.04512	42.8
233.07970	3.6
234.05011	3.9
235.06087	55.9
236.06345	4.7
244.07207	5.9
247.06021	7.6
247.09735	9.3
249.07658	50.2
251.05580	34.5
252.05910	3.2
258.05280	12.0
259.09741	11.4
261.03934	4.9
261.07657	6.5
265.07062	13.4
273.07642	28.5
274.07904	3.7
275.05618	56.2
276.06119	10.5
291.08765	59.9
292.09067	7.5
293.06662	64.2
294.07001	4.4
309.10016	3.9
317.06598	3.7
333.09790	2.8
335.07709	49.3
336.08075	3.8
351.10913	7.3
353.04581	5.6
353.08798	79.6
354.08954	8.5
395.09940	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18030	0.5
59.01254	14.0
60.01579	0.9
69.03331	5.3
69.35520	0.7
69.65717	3.6
71.01256	3.3
73.02801	1.1
75.00764	0.6
78.62953	0.7
79.95610	4.6
83.01246	0.8
85.02813	1.7
89.02319	0.7
97.02806	1.0
98.07777	0.7
98.19854	0.7
99.00739	1.5
101.02282	1.2
113.02307	1.3
117.60332	0.6
119.04924	0.8
123.00774	0.7
124.01547	0.9
133.05220	1.9
134.03633	3.8
135.03426	1.0
135.04414	15.3
136.07558	1.1
147.04407	2.4
148.05203	58.6
149.02333	1.1
149.05544	4.7
150.03085	1.0
151.00273	1.1
161.02336	1.4
162.02963	0.8
175.03923	0.8
176.03448	5.4
177.04195	2.6
178.05017	37.2
179.05299	1.9
185.00877	2.3
189.14841	0.8
190.05023	15.1
191.05417	1.6
206.04764	0.8
216.03340	1.4
216.72426	0.7
223.06020	1.0
253.08702	2.0
284.03424	1.0
285.04028	1.9
296.09616	0.8
297.10074	17.0
298.10394	1.8
304.79654	0.7
312.12421	100.0
313.12738	9.6
328.12103	0.6
391.27225	0.9
392.08115	43.2
392.27402	0.8
393.08301	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96337	3.7
59.01251	22.2
61.98700	100.0
70.92793	10.2
78.56876	4.0
78.95780	5.2
96.60074	3.8
119.04904	5.1
176.09193	4.1
390.84756	5.5
393.10187	5.1
418.13699	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
59.01249	17.9
61.98683	1.1
67.01730	1.5
68.99690	1.5
69.03319	2.4
69.47250	5.8
69.47657	2.4
71.01247	14.4
72.99163	4.5
73.02827	1.5
75.00738	16.7
79.95607	1.9
83.01261	1.4
85.02827	18.1
87.00733	6.5
89.02304	3.4
91.96124	1.3
93.03349	1.1
95.01250	4.8
96.95914	6.3
98.19807	2.3
99.00753	9.8
101.02316	1.2
103.00237	2.2
111.00716	1.1
111.03692	1.2
113.02328	24.5
115.00203	2.8
117.01820	1.8
119.29306	1.0
129.01775	1.6
143.10680	100.0
144.10994	4.4
157.01343	1.6
165.40924	1.2
175.02347	3.2
231.04941	3.3
249.06120	19.2
267.07193	3.8
287.24899	1.2
298.04614	1.4
343.04779	1.6
347.80307	1.5
375.16534	3.0
378.21445	1.2
393.06277	3.2
393.17627	73.5
394.17758	6.2
395.75827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
57.03320	1.2
58.00444	0.8
58.42918	0.5
59.01250	100.0
60.01585	1.5
61.56437	0.4
61.98711	0.5
66.39643	0.4
69.03332	0.8
69.46333	3.3
71.01252	19.2
72.99185	1.0
73.02819	8.4
83.01277	3.2
85.02824	5.3
87.00754	0.8
87.04419	1.5
89.02311	8.7
89.02821	0.5
95.01260	0.9
96.37243	0.5
99.00774	1.1
101.02319	12.2
112.23315	0.5
113.02334	10.3
114.02666	0.4
119.03400	3.0
130.28630	0.4
131.03487	0.6
143.03441	1.0
149.04497	0.8
153.01877	0.5
161.04472	5.8
179.05544	1.1
187.13303	7.4
207.32436	0.5
243.15749	0.5
271.15833	0.5
331.17575	4.6
349.18674	9.4
350.19196	0.6
391.15851	1.1
391.20401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22531	0.5
59.01250	100.0
60.01594	1.0
63.96117	0.5
66.96568	0.5
68.84596	0.4
69.19271	4.0
71.01263	1.3
73.02802	0.6
74.65038	0.5
78.95778	0.5
79.95612	0.6
83.01251	0.5
85.02810	0.5
101.02353	0.7
102.86320	0.4
119.04950	0.5
125.02383	1.2
151.00313	1.4
152.99500	0.8
198.75259	0.4
237.05487	0.6
257.73853	0.4
265.05130	1.2
309.63373	0.6
391.04434	0.5
391.17987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26428	0.5
59.01250	100.0
60.01587	1.4
69.22452	4.4
71.01252	4.6
71.04980	0.5
73.02831	0.6
76.91060	0.5
85.02833	0.9
88.78707	0.5
89.02316	5.1
91.11899	0.5
98.20588	0.9
99.00735	0.6
101.02317	2.9
113.02345	2.7
119.03384	3.3
133.40483	0.5
161.04352	0.7
179.05508	0.7
234.70168	0.6
235.14856	0.5
331.17883	0.6
341.06070	0.5
370.28223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03326	1.2
59.01249	100.0
59.23101	0.8
69.03316	1.0
70.53971	0.8
71.01252	36.2
72.01573	0.9
72.99178	1.7
73.02820	12.4
74.54417	0.7
79.95617	1.7
83.01253	6.3
85.02824	11.1
87.00738	7.8
88.44354	0.6
88.98669	1.0
89.02310	12.1
89.02836	1.1
95.01273	2.0
97.02836	1.1
99.00755	4.2
101.02322	24.4
102.02664	0.9
107.54777	0.7
111.00775	6.8
113.02325	10.7
115.07549	0.9
119.03388	3.1
125.02299	1.1
129.01811	0.9
131.03394	0.8
135.04439	0.9
141.01735	1.7
141.09111	18.5
142.09514	1.0
143.03442	1.3
143.10695	3.0
153.12769	1.0
159.02869	1.3
159.70419	0.8
161.02347	1.9
161.04434	10.2
187.09680	0.8
203.05571	1.2
205.64890	0.8
253.25726	0.7
253.28775	0.7
259.15613	0.9
265.01535	0.8
301.16531	1.4
331.17651	4.4
349.18637	24.2
350.19040	2.9
391.19672	2.0
393.19098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75582	0.7
56.12837	0.8
59.01249	100.0
60.01581	1.2
71.01238	1.5
71.53130	1.3
71.80650	0.8
73.02769	1.0
80.25890	0.7
80.96382	0.8
85.02833	1.1
96.95903	2.5
101.02319	1.2
134.03680	0.8
189.01501	1.1
204.67345	0.8
391.26517	1.0
404.79379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	29.7
59.18827	2.6
61.98701	100.0
71.01250	4.4
77.53360	2.8
78.95784	2.6
80.96403	3.8
98.20557	8.3
130.95207	2.9
161.94667	2.6
167.25700	2.8
178.45195	2.7
183.20401	2.9
349.18369	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.73961	0.7
60.01573	2.0
63.78033	0.7
63.96105	1.0
69.83126	2.3
71.01250	5.6
72.99194	1.2
73.02811	2.2
80.84911	0.9
83.01266	1.3
85.02807	2.6
89.02330	4.0
93.03326	1.6
99.00779	0.9
101.02319	4.5
113.02306	2.7
116.62304	0.8
117.97155	0.9
119.03409	2.1
135.04393	1.4
135.98256	3.6
153.01747	1.1
159.86946	0.8
177.05617	1.0
179.05595	1.1
188.04941	0.8
191.05528	6.4
192.05884	0.9
207.06677	1.0
251.05464	1.0
285.04132	1.1
321.03055	0.9
331.17676	1.8
343.11646	1.2
349.18536	2.2
353.08755	2.7
392.17917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.7
57.03316	1.5
59.01250	100.0
60.01588	1.3
65.65075	0.7
69.03317	0.9
70.22507	2.3
71.01254	39.5
71.04926	0.8
72.01609	1.0
72.99187	2.3
73.02817	13.0
73.03189	1.0
75.00752	1.9
75.60216	0.6
76.69715	0.7
81.03358	0.7
83.01251	4.9
85.02821	13.1
85.03292	1.1
87.00750	11.0
89.02318	11.0
95.01289	2.4
99.00745	3.7
101.02325	25.3
111.00767	1.9
113.02327	13.7
115.00217	1.4
119.03381	4.8
125.02311	1.3
125.87117	0.6
129.01775	1.2
131.03378	1.0
133.01344	3.0
137.02321	0.8
141.09111	26.0
142.09450	1.0
143.03416	2.5
143.10710	3.3
153.09169	1.5
153.12749	1.4
158.39282	0.7
159.02946	1.6
160.01553	1.1
161.04474	15.3
167.10699	1.2
173.11726	1.5
175.03876	0.8
179.05531	1.2
180.42815	0.7
185.11812	0.7
187.09610	1.2
187.13423	1.9
197.11749	1.1
203.05548	0.9
223.06152	0.9
236.94492	0.7
244.07845	0.9
249.06165	1.4
259.15506	1.9
275.09576	0.7
284.03781	0.8
285.04187	1.3
331.17654	6.6
331.24713	3.1
332.17773	0.8
349.18649	29.3
350.18823	3.4
374.81882	0.8
391.15778	3.5
391.20627	1.5
391.26950	14.2
392.09052	1.4
392.16718	1.0
392.27359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.6
61.98690	0.7
62.50871	0.8
66.00153	0.9
68.79577	0.9
71.01254	2.7
71.53526	0.8
75.44987	0.8
76.49763	0.7
78.95770	0.8
79.95591	1.4
83.04919	0.9
85.02823	1.4
96.95875	1.3
109.81762	0.8
133.02823	0.7
137.09702	0.9
167.03398	1.1
171.10213	1.7
177.40715	0.7
178.98253	0.9
201.11298	2.9
219.75439	0.8
270.38852	0.8
273.54434	0.9
276.94760	0.9
371.24268	2.1
374.07928	2.3
389.12195	0.9
389.16541	1.0
389.20850	1.4
389.25250	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58570	25.8
56.98680	22.8
59.01237	100.0
69.19783	24.5
98.07024	23.7
107.72335	25.0
115.01654	26.6
133.10570	27.3
140.01830	29.6
278.40570	27.1
339.30508	26.2
407.23941	27.8
412.18665	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
82.89967	52.3
84.38550	67.2
94.97884	52.8
151.47075	54.5
252.46651	66.7
313.79126	60.6
383.63611	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60145	6.8
55.94828	5.9
56.55066	5.9
59.01251	100.0
71.52554	6.7
132.38907	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84362	6.3
59.01252	100.0
62.60334	4.9
63.30524	5.4
65.16118	4.9
69.56245	34.6
74.78657	5.3
94.92802	5.0
98.39993	6.0
133.31364	5.8
255.07422	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	389.1242
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
51.89109	1.2
57.03319	15.2
59.01252	11.6
59.73459	1.4
63.20329	1.3
65.00170	3.7
69.03320	1.9
71.01245	2.8
71.53652	1.8
73.02814	1.6
79.95615	1.6
83.01255	5.6
85.02821	3.9
85.06437	1.4
93.03279	1.6
95.86357	1.3
96.95892	1.5
105.18349	1.4
109.02802	4.9
109.06483	3.2
113.02323	1.9
121.02853	3.7
123.04414	8.2
124.01532	2.4
125.09525	1.8
127.07512	6.0
133.02837	2.2
135.04395	3.2
137.02357	3.4
137.05945	2.0
139.03838	2.4
142.45236	1.2
143.10677	28.9
145.02885	2.7
146.03723	1.9
147.04460	3.4
149.02310	6.3
150.03113	5.2
151.03891	8.2
151.07530	3.5
161.02354	3.8
163.03911	3.4
165.01898	7.6
165.05519	2.2
167.10667	1.8
169.08618	8.5
173.05962	2.5
174.03140	5.7
175.03917	39.7
176.04233	1.8
177.01854	13.9
178.99666	2.1
179.03351	13.7
181.87721	1.4
188.04694	3.2
189.05504	6.9
191.03464	2.2
193.04976	8.2
193.08601	3.3
195.10269	1.5
199.03888	4.1
201.01889	4.0
201.65544	1.4
203.03421	3.0
211.09698	100.0
212.10110	7.1
217.04999	8.8
223.09763	2.0
237.07680	11.2
238.08353	4.1
239.09262	6.5
261.11240	1.9
265.07101	12.1
267.08667	6.3
285.11282	4.2
303.12384	3.2
327.12308	7.4
345.13266	9.7
361.12802	13.7
371.11295	49.4
372.11713	7.4
388.24149	1.5
389.12381	73.1
389.25662	7.7
390.12701	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	389.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.03321	11.9
59.01245	6.3
60.17550	0.3
67.01742	0.4
68.99682	0.7
69.84846	0.7
69.85220	1.4
71.01247	3.7
72.55949	0.3
72.99166	2.4
75.00756	1.9
83.01267	2.5
84.02016	2.4
85.02820	100.0
86.03152	2.0
87.00741	1.3
88.76911	0.4
89.02318	1.0
92.80167	0.4
99.00749	0.5
101.02315	1.0
103.00232	2.0
109.02782	0.3
111.00761	4.4
115.00252	1.1
121.02850	2.3
129.00870	0.7
129.01822	10.5
130.02266	0.5
133.01283	0.4
135.04393	1.9
137.02287	0.4
139.03915	0.4
147.02888	15.6
147.04068	0.8
148.03210	0.4
153.05444	1.7
163.02382	0.5
165.05423	0.5
167.03438	0.6
173.00781	1.8
179.10425	0.3
191.01891	25.9
192.02284	0.8
197.04497	3.2
197.30400	0.3
209.02953	12.9
270.06830	0.3
326.89047	0.3
371.05942	0.8
381.31473	0.4
389.07047	2.7
390.11127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65208	0.7
57.03326	1.1
59.01253	16.9
70.29768	2.7
71.01256	6.1
73.02827	4.5
79.09736	0.8
83.01240	1.3
85.02823	2.2
89.02335	2.2
93.03355	1.5
101.02315	5.0
101.48254	0.8
109.02842	1.2
113.02326	1.9
115.07530	0.8
116.37486	0.7
117.03346	34.2
118.03667	1.8
119.04916	90.5
120.05251	3.9
121.02826	4.3
123.04369	1.2
125.02355	1.0
132.05710	3.7
133.02829	1.9
133.06487	1.6
137.02344	5.8
138.03110	2.2
145.02853	100.0
146.03198	4.5
149.02368	1.1
151.00322	0.7
151.03931	1.2
152.04671	2.2
153.01852	3.7
153.05475	1.2
159.04449	1.1
161.02364	1.5
161.04578	1.1
161.06006	1.2
162.01921	0.8
162.03165	1.0
163.03918	95.0
164.04247	6.3
165.01886	2.2
166.02661	0.8
167.03413	1.5
167.10693	3.0
168.04169	3.0
175.29907	0.8
177.01808	6.7
177.05556	1.8
178.02591	1.2
179.03423	5.0
180.04170	2.3
183.06529	5.0
184.03769	1.3
192.04202	4.4
193.04892	1.7
194.05794	2.0
195.06570	3.0
199.63959	0.8
207.06535	1.9
210.05261	1.7
225.07605	5.6
297.07486	1.3
312.10040	2.8
327.12415	10.7
341.10156	4.3
347.17084	1.1
357.71426	0.8
371.11246	9.6
372.11890	1.0
388.24396	1.0
389.12436	16.7
389.17975	6.2
389.25436	12.7
390.12888	2.5
390.18814	1.2
390.24170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02535	0.5
51.35814	0.5
51.45917	0.5
54.44823	0.5
55.01752	0.6
56.34372	0.5
57.03051	0.6
57.03325	9.9
58.00455	1.1
59.01249	4.4
61.98695	0.5
65.00207	0.6
69.39050	1.2
69.39456	3.1
71.01257	2.8
71.04899	3.6
72.99139	0.7
81.03344	1.1
83.04884	2.4
85.02817	1.4
85.06454	1.9
85.22826	0.5
87.04380	3.5
89.02272	0.8
93.03359	0.8
95.04884	1.0
95.13255	0.5
97.06460	1.8
99.04379	1.7
99.08027	7.0
100.16329	0.5
101.02326	0.7
101.05942	0.8
107.04885	0.5
109.06470	2.4
111.08058	4.6
113.02362	0.6
113.05978	1.4
113.09563	0.7
115.07486	1.1
119.03407	0.6
121.02848	0.7
121.06441	1.3
123.08076	3.3
125.09618	8.0
127.07522	1.1
127.11191	1.2
129.09091	1.3
136.01552	0.6
137.02362	1.2
137.09622	1.2
138.06714	0.7
139.07535	1.3
143.10706	3.9
151.00250	0.8
151.11227	0.5
153.09097	2.2
155.10687	4.4
157.12260	4.0
169.12263	2.4
171.10214	0.6
185.11818	1.3
187.13341	7.5
191.14314	0.7
196.10913	0.7
209.15390	5.0
215.12801	0.7
216.13669	3.3
217.14372	1.6
227.16422	1.0
248.12643	0.9
265.29593	0.6
285.03995	0.6
306.04672	2.2
327.34271	0.7
343.24911	4.4
344.25540	0.6
387.23886	100.0
388.24216	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	387.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25763	0.5
54.99688	0.4
55.01769	0.5
57.03328	7.1
58.00466	1.1
59.01254	4.6
59.22720	0.5
70.82433	1.1
71.01250	3.1
71.04886	3.9
71.13618	0.4
71.58585	0.4
72.99174	0.5
73.02796	1.1
83.01237	0.6
83.04894	1.5
85.02827	1.5
85.06478	1.2
86.96972	0.5
87.00787	0.6
87.04358	2.5
89.02318	0.8
95.04932	0.5
96.95873	0.7
97.02816	0.6
97.06480	1.4
99.04404	1.5
99.08040	5.3
101.02325	1.2
101.05972	0.6
101.09602	0.5
104.03632	0.5
107.04857	0.5
109.06470	1.4
111.00766	0.7
111.08060	3.4
113.02271	0.7
113.05975	1.3
113.09601	1.0
115.07551	0.7
121.02850	18.4
122.03245	0.5
123.00736	0.7
123.08050	2.1
125.09626	6.8
127.07553	0.6
127.11191	0.9
129.09099	1.7
135.04424	0.7
137.02382	0.6
137.04218	0.6
137.09602	1.7
138.06741	0.6
139.00256	1.3
139.07547	1.3
139.11134	0.7
143.10657	2.8
149.02322	1.2
151.03909	1.6
151.11186	0.6
152.67336	0.5
153.09132	1.3
155.10696	4.1
157.12242	4.6
161.02383	1.0
163.03911	0.6
166.02661	0.7
169.12263	2.6
175.03973	0.5
181.05023	0.6
184.11038	0.6
185.11731	1.3
187.13332	7.9
191.03397	1.1
193.15936	0.8
197.59421	0.5
199.13293	0.7
207.06537	0.6
209.15436	3.9
215.03561	0.6
215.12773	1.1
216.13628	3.5
217.14354	1.4
225.05566	1.6
227.16505	0.7
235.02487	0.9
235.06142	1.2
248.12639	0.7
250.04878	1.9
265.07217	3.3
281.05643	0.5
283.06107	0.6
283.72229	0.5
297.03955	1.6
311.10303	3.6
312.10492	0.5
325.10779	1.1
343.24902	4.9
344.25314	1.0
355.09332	1.4
359.11249	0.6
369.09683	2.2
369.22421	0.6
372.12311	0.6
387.10724	4.5
387.23880	100.0
388.11026	1.0
388.24222	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17757	70.9
52.39043	60.2
55.78706	54.6
55.98124	53.7
59.01231	100.0
67.25540	50.8
71.53181	66.2
88.02546	60.0
115.96630	62.4
141.05423	63.4
180.74767	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53423	94.2
106.33842	76.2
203.78296	76.4
220.23444	100.0
305.84955	97.4
325.85419	94.0
346.84311	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	387.1087
Annotation	Cimiracemate C
Peak:m/z	Relative Intensity
52.62364	1.0
56.69684	0.9
57.03310	2.5
59.01240	4.1
59.04564	1.0
65.00183	2.4
65.33413	1.0
68.99667	1.1
70.39993	3.1
71.01252	1.5
71.04895	3.6
75.94677	0.9
77.03870	1.4
79.01754	1.0
83.01255	19.1
83.04880	1.0
93.03336	2.4
95.01230	1.5
95.04896	7.8
97.02822	5.5
97.06469	14.7
98.03640	1.8
105.06978	1.3
107.04906	3.5
108.02031	2.5
109.02834	8.4
109.04960	1.0
110.03613	3.8
111.00742	2.0
113.02311	1.4
118.22794	1.0
119.04917	3.7
121.02839	8.4
121.06462	1.2
122.03629	2.3
123.04408	22.6
123.08028	7.2
124.04768	1.4
125.02331	1.3
125.05980	32.7
133.02861	3.4
135.04388	4.1
136.01544	1.3
137.02348	15.8
138.03168	4.9
139.03912	12.6
141.09117	12.6
145.02881	2.4
146.03720	1.7
147.04396	5.1
147.08017	3.0
149.02342	13.1
149.05963	7.7
150.03140	14.6
151.00270	1.2
151.03909	16.1
159.04385	1.3
160.01547	1.3
161.02359	3.4
161.05969	2.9
162.03194	1.1
163.00298	1.4
163.03938	6.4
164.01007	1.1
164.04674	2.1
165.01837	21.9
165.05473	4.1
166.02623	19.5
167.03271	2.3
167.07037	8.6
171.04385	1.4
173.05986	3.3
174.03136	7.1
175.03932	61.8
176.04283	3.7
177.01866	16.6
179.03424	1.8
182.31593	1.2
187.04004	1.3
188.04700	2.5
189.01872	2.4
189.05518	10.8
190.02614	4.5
191.03455	7.1
191.07050	15.9
192.07433	1.3
193.01451	2.3
193.04993	12.0
194.05432	1.0
198.01605	1.2
199.03906	2.6
201.01846	6.7
201.05638	1.4
203.07121	1.9
207.06523	1.4
209.08144	85.3
210.08485	4.7
211.03955	1.2
213.05377	1.1
216.04156	1.8
217.04996	15.2
219.02916	3.9
219.06601	3.1
227.06946	1.4
229.05080	1.2
231.06635	1.3
235.06067	11.4
237.07637	5.0
245.08151	1.1
255.06349	1.6
257.19443	1.3
263.05591	16.8
264.05887	2.0
265.07101	8.5
269.04333	1.2
270.05225	1.4
271.06039	1.4
283.06094	3.8
283.09634	1.4
293.03735	1.1
297.04123	1.8
298.04922	1.5
299.05511	5.9
301.10617	1.6
311.05441	3.8
325.10696	1.8
341.10306	2.1
343.11923	8.1
344.12335	1.5
359.11322	27.5
360.11691	3.5
369.09766	41.3
370.10043	5.1
387.10846	100.0
388.11185	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	385.2229
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01239	13.4
63.08675	2.7
67.91843	2.3
69.51492	2.5
70.63688	2.5
71.01249	3.4
85.02823	13.1
87.00738	2.9
91.55865	2.8
97.41813	3.0
98.20596	9.2
98.88306	2.4
109.02831	7.0
119.04906	7.6
125.02281	6.5
135.04416	11.1
139.03874	2.9
143.65506	2.6
167.14381	3.4
177.01898	4.5
179.03662	2.8
182.93095	2.6
190.02722	2.9
207.17574	2.8
222.82697	2.8
223.20598	4.7
235.06015	3.6
249.18466	7.3
267.19635	100.0
268.19934	7.3
275.16461	13.0
285.03772	3.9
293.17575	70.8
293.20728	3.5
294.17773	10.7
311.18640	15.5
311.22058	5.8
367.11795	5.8
367.21262	8.7
385.08661	15.9
385.12991	13.8
385.17480	2.6
385.22223	74.2
386.09335	4.2
386.22543	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	387.0932
Annotation	Ixoside
Peak:m/z	Relative Intensity
53.33644	0.3
55.74508	0.3
59.01250	5.7
60.60273	0.3
68.99682	0.9
70.76717	0.3
70.86973	0.5
70.87312	0.3
71.01254	5.3
72.99200	0.4
73.02838	0.7
75.00731	0.3
79.01747	0.4
83.01258	0.9
85.02842	1.4
87.00769	0.3
89.02317	4.5
95.01271	0.6
97.02795	0.3
99.00723	0.3
101.02325	2.9
108.58730	0.3
109.02825	1.8
111.00733	0.3
111.04413	0.7
113.02354	2.2
114.38488	0.3
119.03412	1.5
119.07962	0.3
121.02785	0.4
123.04374	0.4
124.05912	0.3
125.02318	0.4
134.03621	0.6
135.04408	0.3
137.02380	1.3
138.03125	28.9
139.03471	0.9
143.03409	0.5
150.03148	0.3
151.03935	0.7
153.05479	37.5
154.05804	2.0
161.04468	1.8
162.03108	0.6
164.01056	1.2
165.01848	4.1
165.05594	0.4
166.02625	26.2
167.03119	1.0
177.05469	0.5
179.03421	6.7
179.05475	0.8
180.04103	0.7
181.04982	100.0
182.05313	5.7
182.06752	0.1
183.02885	0.7
187.53049	0.3
190.02698	0.5
193.04950	0.8
195.06572	0.3
198.01633	0.9
205.05014	1.6
207.02896	3.2
315.11157	0.6
343.10324	6.7
344.10742	0.7
387.09341	6.2
388.09949	0.7
407.49905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	20.1
59.01249	10.6
63.99352	2.6
65.00179	12.1
69.03339	6.1
69.59910	2.3
71.01264	4.6
83.01257	4.5
83.02347	2.6
85.02812	3.1
93.03348	5.7
95.01256	5.2
97.02802	4.1
97.06415	2.9
98.20563	5.3
99.00753	21.1
107.08559	2.7
108.02080	2.5
109.02832	40.1
109.06498	6.8
110.03175	2.5
119.04945	3.0
121.02876	11.3
123.00749	4.8
123.04434	2.4
124.01551	30.4
125.02362	18.8
125.09607	19.4
129.74835	2.7
130.51099	2.6
133.02800	2.9
133.06487	20.3
136.01624	4.8
137.02345	81.5
139.03876	6.0
139.86165	2.3
145.02823	4.4
147.00760	4.2
147.64684	2.4
148.01547	24.3
149.02359	48.7
149.09592	5.4
151.00198	2.5
151.03925	2.7
151.07553	11.6
152.01089	6.9
153.01817	14.3
161.02324	3.1
163.03943	5.2
163.07559	2.7
164.01053	18.0
165.01854	5.8
167.03392	5.0
175.00333	12.5
175.07558	7.0
176.01080	10.9
177.01828	7.0
177.09097	3.0
179.64142	2.6
182.02103	3.0
189.09163	3.7
191.05537	3.1
193.01335	74.5
193.08624	79.6
194.01740	3.2
194.08981	4.6
205.08621	9.5
219.06558	56.6
220.06927	3.6
221.08118	19.9
231.06517	4.8
233.08195	28.2
235.06082	3.3
237.07726	23.0
247.06111	16.3
249.07701	10.0
251.09216	100.0
251.11819	4.9
252.09569	9.3
256.03641	3.5
277.07159	70.5
278.07510	8.3
303.44016	2.7
325.10944	8.9
341.17880	2.5
369.09702	22.7
370.10690	3.0
387.10275	16.4
387.14548	8.4
387.23602	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.24886	0.4
54.17795	0.4
59.01245	3.6
71.01247	0.8
75.39037	0.4
76.23183	0.3
85.02812	1.8
89.02323	1.5
91.03884	2.5
97.06461	0.5
99.08010	0.3
109.02842	0.7
117.03394	0.4
119.04917	1.2
120.39560	0.3
121.02848	1.4
122.03637	1.4
125.02317	1.5
126.03122	0.8
135.04410	4.3
136.05171	0.6
137.02350	0.4
167.14343	3.3
168.04128	0.4
177.01945	0.4
193.15921	1.4
207.17540	1.8
223.20609	2.2
231.17552	1.2
233.15436	1.0
247.06274	0.4
249.07579	1.6
249.18552	8.0
250.19048	0.6
267.19632	100.0
268.19968	9.9
275.16516	13.4
276.16837	1.5
288.60226	0.4
293.17581	74.1
294.17862	7.3
297.07611	2.5
309.07733	1.2
311.18604	13.7
312.19037	1.4
355.67709	0.4
367.21237	9.0
368.21622	1.0
385.08966	1.0
385.13004	7.1
385.22287	58.6
386.13419	1.6
386.22543	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	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77471	1.1
55.01760	2.0
57.03322	11.1
58.00461	2.8
58.57304	1.0
59.01249	100.0
60.01575	1.9
63.42492	1.0
63.97861	1.2
69.03328	1.2
69.43080	4.3
69.43488	1.9
71.01250	42.7
71.04871	1.3
72.99185	4.3
73.02820	4.0
74.50980	1.1
75.00746	2.2
75.46073	0.9
79.61991	0.9
80.92352	1.0
83.01261	3.6
85.02821	30.3
87.00745	4.9
89.01758	2.5
89.02313	44.6
92.29928	0.9
95.01252	3.3
97.02828	1.9
99.00759	2.0
99.04401	5.0
101.02320	25.7
106.06514	1.3
109.02881	2.2
111.00781	2.0
113.02335	17.7
119.03387	22.1
120.68260	1.0
121.02832	1.0
125.02332	1.7
129.01802	3.2
131.03412	2.2
133.02887	2.3
134.03662	1.2
135.04425	4.7
135.12608	1.0
137.02373	2.4
137.09599	3.5
139.03999	1.1
143.03398	3.9
147.02979	2.1
149.02362	3.0
149.04422	1.6
153.05482	4.5
153.09116	1.8
161.02382	1.8
161.04468	5.0
164.04738	1.4
165.01894	1.6
165.09116	39.8
166.09468	2.6
175.07538	2.0
179.03413	2.9
179.05528	4.9
181.05011	11.1
187.11183	4.7
191.01834	5.4
205.12228	3.1
209.03058	3.1
223.04535	3.5
223.06346	1.4
223.13287	4.0
249.06093	1.1
274.63861	1.1
281.04318	1.0
285.03961	1.8
300.01379	0.9
313.03485	6.3
329.16617	1.1
385.08823	1.8
385.18729	3.9
385.22974	1.2
386.19260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01767	2.7
55.23708	0.9
55.74707	0.8
56.75507	1.0
57.03322	18.8
58.00471	5.8
59.01251	100.0
59.18354	0.9
60.01583	2.2
67.01760	0.8
68.99680	1.0
69.03362	1.0
69.51830	5.4
71.01254	84.3
72.01614	1.1
72.99181	7.1
73.02831	7.9
75.00746	2.4
83.01250	6.1
83.04881	2.2
84.02058	1.3
85.02821	34.3
87.00758	10.3
87.99648	0.8
89.02318	93.9
90.02647	1.3
95.01258	4.2
96.95905	0.9
97.02854	1.3
98.08405	0.8
98.19794	1.6
99.00738	4.5
99.04379	7.3
99.04908	0.8
101.02325	50.3
102.02677	1.4
103.00262	1.0
111.00758	5.4
112.74065	1.0
113.02329	34.7
114.02650	1.1
119.03392	40.9
122.03656	1.0
123.08098	2.0
125.02306	1.6
129.01849	3.4
131.03398	3.7
135.04411	1.9
135.08110	0.9
137.02356	1.6
137.09642	5.8
143.03401	5.2
147.02875	1.7
147.13377	1.0
149.04439	3.4
149.06058	0.9
151.07410	0.9
153.09122	3.4
159.02919	1.0
161.04472	10.7
163.11230	1.3
165.09123	86.6
166.09444	4.6
175.07573	1.5
179.05559	8.1
181.05077	1.1
181.08609	7.9
187.11234	12.4
189.09100	0.9
191.01953	2.6
193.12314	1.2
205.03477	6.7
205.12273	7.1
209.02919	1.1
209.09581	1.3
223.04533	24.0
223.13345	5.6
224.05031	1.4
249.06064	2.5
267.07162	5.1
343.13763	1.0
385.06802	1.2
385.11414	1.9
385.18787	9.8
386.19122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01250	100.0
60.01588	1.1
68.67945	0.3
70.82584	0.6
70.82917	0.3
70.84117	0.3
71.01256	1.8
73.02832	1.1
75.33119	0.3
83.01257	0.4
85.02828	2.8
88.13999	0.3
89.02345	0.7
93.61488	0.3
95.01272	0.4
101.02342	1.3
109.02885	0.3
111.00726	0.3
113.02343	0.6
120.51095	0.3
125.02405	0.7
133.02884	0.7
134.03676	0.6
137.02388	1.4
143.03360	0.4
161.02324	0.4
165.01843	0.7
167.03476	0.5
177.01910	0.5
181.05083	0.4
191.01941	0.6
193.73438	0.3
209.03069	0.5
218.04576	0.8
223.04594	1.1
283.02591	0.4
284.03299	0.7
285.04001	0.4
313.03625	2.9
324.02893	0.6
341.06848	0.4
367.08356	0.7
385.09329	0.7
385.13623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08155	0.5
55.01753	1.3
59.01234	1.5
61.12972	0.5
65.00159	0.8
79.01761	15.9
85.02814	1.8
95.04903	1.7
97.02838	1.1
107.04930	1.2
109.02815	3.0
110.03613	1.3
119.04915	0.6
123.00760	0.9
123.04390	0.5
124.12839	0.5
125.02302	1.2
125.05982	16.1
133.02879	0.6
134.03593	2.6
135.04413	100.0
136.04747	5.0
136.06520	0.5
137.09607	1.1
149.02353	1.3
149.05977	8.2
150.03105	2.2
151.00284	4.6
151.03778	0.9
159.04390	0.6
161.02382	0.7
163.03937	0.6
164.04787	0.7
177.01875	2.6
178.02600	0.8
179.03424	2.2
179.06995	0.6
181.07329	0.6
181.08669	5.7
183.21336	0.5
187.07545	0.9
192.04196	0.8
193.04926	2.3
205.04994	3.1
205.08658	7.2
223.09665	3.6
224.03209	0.7
231.06596	1.9
234.99065	0.6
245.08194	0.7
249.07652	59.4
250.08026	4.1
263.09344	0.5
283.15381	0.6
287.05576	0.8
313.06848	0.5
339.55972	0.6
340.05856	0.5
356.58313	0.5
367.11774	0.8
385.12912	58.2
386.13242	9.0
409.55258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.0
59.01239	2.2
62.16269	0.6
65.00188	1.6
68.99673	1.1
71.01261	1.2
71.04891	21.8
71.05291	1.1
71.53046	0.9
72.05211	0.9
72.08663	0.6
74.85227	0.6
77.03824	1.6
79.01756	5.9
81.03310	0.7
83.01241	1.3
83.04877	0.8
85.02817	6.6
93.03323	2.9
95.04896	2.2
97.02849	2.3
105.03341	0.9
107.01229	1.9
107.04893	1.0
107.08552	0.8
108.02058	1.2
109.02834	7.4
109.06486	4.8
109.99957	0.9
111.00736	0.8
119.04913	1.5
121.02827	7.6
122.03612	3.0
123.00821	0.8
123.04410	15.5
124.04722	0.8
125.02322	1.9
125.05959	0.8
133.02873	0.8
133.06445	5.3
134.03598	1.5
135.04408	21.1
135.05435	1.2
136.01604	1.0
137.02325	3.0
138.03122	39.1
139.03940	8.1
139.11182	13.3
145.02849	1.0
147.04411	1.5
149.02342	12.8
150.03094	2.5
151.00270	8.5
151.03900	11.1
151.07518	1.6
159.04430	1.2
160.01549	1.6
161.02298	1.9
161.05952	1.8
161.09599	1.1
162.03145	1.0
163.03911	4.6
163.07468	0.7
163.11208	4.3
164.01035	1.9
164.04663	4.1
165.01859	4.1
165.09117	12.0
166.02602	7.6
167.03157	0.9
170.02046	0.9
173.02412	1.2
173.05995	0.7
174.03143	2.3
175.03937	4.4
175.07587	0.8
177.01840	29.9
177.09053	0.8
178.02309	1.6
179.03401	3.6
180.04135	1.5
185.06029	1.9
187.03905	1.6
187.07549	1.2
188.04666	1.5
189.01833	2.2
189.05447	1.6
189.09140	5.3
190.02632	3.6
191.01945	1.1
191.03406	19.4
191.10626	1.5
192.04102	2.1
193.01302	4.9
193.04977	1.2
198.03172	0.9
201.01875	3.0
201.05534	1.5
202.06323	1.9
203.03415	2.1
203.07047	2.7
205.05023	6.0
205.08684	4.0
206.09265	0.8
207.10196	100.0
208.10539	6.0
211.03981	1.4
212.04617	0.9
213.05504	5.4
214.02638	0.8
215.03445	2.7
215.07123	1.2
216.04227	0.8
217.08678	1.4
219.06592	3.4
219.10167	2.0
225.05527	1.6
226.06277	1.2
227.03429	1.2
227.07013	1.2
228.07927	1.2
229.04993	0.9
230.05685	1.2
231.06535	3.2
231.10036	1.0
232.10956	0.9
233.08150	26.2
234.08701	4.2
235.09695	19.9
236.10135	1.9
242.02139	1.5
242.05824	1.8
243.06577	1.8
244.07436	1.5
245.08151	3.3
247.06142	0.9
249.07675	6.3
251.09315	0.9
254.05862	5.5
255.06364	0.8
257.04443	1.0
258.08984	1.9
259.09665	2.1
261.07654	31.7
262.07986	2.2
263.09210	9.0
264.09396	1.2
265.04984	0.8
267.10184	2.9
270.05325	12.1
271.05743	0.9
272.06876	3.5
285.11227	1.2
287.05603	1.9
297.14673	1.0
298.04794	4.8
311.22171	1.6
313.14362	1.2
323.12888	5.2
341.10291	1.3
341.13901	8.7
342.14059	1.7
357.13358	20.9
358.13791	2.4
367.11823	93.6
368.12192	12.1
385.12921	43.0
386.13229	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	385.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	11.5
59.01244	4.0
61.03230	1.2
63.54334	1.1
65.00198	5.6
68.99707	1.6
69.51287	6.4
77.77076	1.1
85.02822	6.6
95.01268	3.0
104.39004	1.2
107.01280	1.4
107.04832	1.3
108.02022	1.7
109.02864	3.9
109.06487	6.2
111.00711	2.2
115.48978	1.2
121.02846	2.6
122.03618	4.6
123.00765	3.0
124.01552	22.8
125.02357	2.4
125.09602	12.0
133.02841	3.1
133.06474	9.7
135.04408	1.5
136.01494	1.4
137.02336	3.8
141.05504	1.2
146.03613	1.8
148.01569	1.6
149.02357	12.0
149.05946	1.8
149.09593	4.0
150.03111	4.4
151.00272	4.7
151.07530	9.3
152.01074	13.5
152.07944	1.3
161.02332	2.9
163.00287	1.2
165.01794	9.4
171.10226	2.2
175.00356	1.8
175.04095	1.7
175.07581	2.0
176.01003	2.4
177.01849	52.4
178.02235	2.9
178.99760	4.0
187.04071	1.5
188.04683	2.0
189.05461	1.4
191.01842	1.5
191.07039	3.4
192.04222	7.5
192.07899	1.6
193.08623	64.7
194.08925	4.5
203.07121	2.4
204.07773	1.9
205.05005	7.0
207.06558	5.7
215.03502	1.4
216.04167	1.5
219.06584	19.3
220.07355	14.0
221.08185	2.2
231.06699	3.0
233.04500	1.6
233.08188	2.9
247.06058	7.3
267.19669	21.3
268.20010	1.7
293.17572	3.2
299.12915	4.5
311.18622	11.7
311.22253	4.6
313.14374	2.0
341.13898	12.9
342.10699	1.5
342.14435	1.6
357.13400	82.6
358.13754	9.8
367.11932	2.5
385.08667	4.6
385.12930	100.0
386.08972	2.0
386.13293	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	385.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52495	1.2
55.01750	1.7
55.32719	1.1
57.03311	2.1
57.62258	1.4
59.01233	7.3
61.98698	1.7
62.32813	1.4
71.01252	3.1
71.04898	6.1
79.01775	5.7
83.01244	1.5
85.02831	5.9
89.02309	1.4
91.03902	1.4
93.03334	1.9
95.04904	2.3
97.02813	7.5
97.06480	2.1
102.23626	1.3
109.02823	9.5
109.06526	1.6
110.03638	1.3
111.00738	1.5
111.04373	3.5
113.26345	1.4
119.04916	18.3
121.02841	2.7
122.03584	1.5
123.04435	3.3
125.02330	2.2
125.05950	11.5
125.06681	1.2
127.07558	1.3
131.04907	2.1
133.02840	11.3
134.03674	1.4
135.04417	9.6
137.02345	5.8
137.05995	3.7
137.09651	1.8
138.03122	3.6
149.02347	4.0
149.05934	2.2
150.03093	7.0
151.00325	1.6
151.03934	7.5
151.07584	1.4
152.04726	4.8
153.05470	8.4
155.10733	1.5
159.04442	2.1
161.09590	2.0
163.03952	3.6
163.07524	1.9
164.04630	2.0
165.01756	1.9
165.05415	1.8
167.03293	1.6
175.03960	3.8
177.01805	7.5
177.05539	2.5
178.02580	3.3
179.03404	23.7
179.07033	1.2
180.04193	15.9
181.05023	1.3
181.08627	4.8
183.13898	1.5
185.06093	2.0
187.07559	3.0
191.01938	2.3
203.03532	1.8
204.04198	1.4
205.08603	8.2
207.02957	5.7
207.06630	1.9
207.10181	13.7
215.07159	3.9
219.02863	1.6
219.06642	4.5
223.09697	18.5
225.09285	2.0
229.08678	1.7
231.02805	1.5
231.06735	2.6
233.08194	2.6
235.06116	1.6
241.08788	2.5
247.06062	2.4
249.07785	3.8
269.08188	2.9
270.08939	1.3
271.09793	4.2
275.09265	4.1
277.07242	3.0
285.07687	3.4
287.09384	2.5
297.07739	6.1
311.22186	12.8
312.22449	1.5
323.13120	1.9
339.08820	2.2
339.12418	9.0
340.12881	1.8
341.06201	1.4
341.14044	5.2
357.13443	43.7
358.13715	3.5
367.07983	3.3
367.12048	6.0
385.13022	100.0
386.13312	14.8
388.09964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	SCHEMBL3183521
Peak:m/z	Relative Intensity
55.01747	0.4
57.03334	0.3
59.01250	1.6
61.98697	0.3
64.28373	0.3
69.18263	0.6
69.18670	2.3
69.99007	0.3
71.01244	0.5
79.01762	3.5
85.02826	2.2
89.02325	0.4
89.11619	0.3
98.85671	0.3
99.75394	0.3
99.92455	0.3
107.04902	0.3
109.02854	1.3
109.99709	0.3
119.04887	0.9
121.02829	0.8
123.00756	0.5
125.02322	0.8
133.01845	0.7
133.02846	12.4
134.03705	1.7
135.04416	3.1
137.02345	0.7
139.03929	0.4
141.26942	0.4
148.30409	0.3
149.02263	0.5
149.05980	1.0
150.03131	0.5
151.03917	0.5
151.07564	0.9
161.02379	0.3
163.00290	1.1
163.03873	0.3
165.01746	0.4
166.99757	0.4
167.03410	0.5
175.03893	1.8
177.01822	2.0
183.10149	0.3
187.03897	0.4
189.05475	0.3
191.01854	0.5
191.03438	0.5
197.06165	0.4
198.03114	0.3
201.01904	0.8
205.08591	0.4
207.10194	0.9
211.03931	0.4
212.04744	0.7
213.05505	1.6
217.08527	0.3
223.04669	0.3
225.05496	0.6
228.46913	0.3
229.04953	0.4
235.06026	0.7
239.07155	0.4
241.04985	0.4
249.07637	0.7
249.11366	0.4
251.09276	1.6
253.04959	0.5
254.05891	0.9
255.06509	0.5
257.04324	0.4
267.06616	0.8
268.07095	0.4
269.04413	0.5
280.94318	0.4
283.06143	0.5
297.04001	1.5
298.04807	9.5
299.05505	4.2
309.07855	0.3
311.05634	5.8
312.06305	7.6
313.06830	1.3
327.08786	0.6
338.36966	0.4
341.13965	1.0
357.13675	0.7
367.12015	2.6
385.12924	100.0
386.13232	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03322	3.3
58.00460	0.8
59.00956	0.8
59.01250	14.7
59.01536	0.9
67.01785	0.7
68.99706	1.0
69.03343	1.1
71.00903	0.9
71.01250	23.6
72.01591	0.5
72.99184	4.0
73.02820	1.0
75.00745	12.4
76.07185	0.4
83.01253	1.2
84.02036	0.8
85.02821	31.3
86.25822	0.5
87.00743	8.5
89.02316	6.0
91.03889	0.5
91.05411	4.7
95.01266	4.7
99.00748	6.9
101.02349	1.1
101.15831	0.5
103.00279	2.4
109.02849	0.6
111.00777	0.8
112.01526	0.7
113.02330	28.1
114.02685	0.8
115.00274	1.5
117.01850	2.4
117.03355	4.7
121.02837	0.6
122.93268	0.5
124.01543	0.5
129.01842	1.6
131.03377	0.8
135.04395	3.8
136.05222	2.4
137.02411	0.7
139.00302	0.4
149.04497	0.8
150.06746	0.8
151.07617	0.7
157.01317	0.8
160.49083	0.5
162.06769	0.8
163.07460	0.5
163.80159	0.4
164.04727	0.6
175.02380	2.5
180.07852	1.0
181.08618	3.9
191.01862	3.0
205.05089	0.5
205.07094	1.5
207.05038	1.0
209.02992	0.5
223.04367	2.8
224.62201	0.4
249.06131	8.7
267.07193	100.0
268.07526	5.1
367.10767	0.5
385.11334	16.1
386.11661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	0.3
59.01248	4.9
65.00182	0.3
69.61497	1.0
71.01240	0.5
76.13648	0.2
83.01233	0.7
85.02809	1.2
89.02293	0.2
92.90823	0.2
93.03337	0.4
99.00688	0.2
100.09659	0.2
101.02291	0.3
103.01778	0.2
109.02819	0.6
113.02322	0.4
117.03349	0.4
121.02818	0.5
125.02332	0.6
131.01266	2.5
132.02129	0.3
133.02844	20.5
134.03165	0.7
135.04385	0.7
137.02328	1.6
145.02858	0.2
148.05168	0.4
149.02383	0.5
163.00311	0.4
163.03891	0.9
163.07535	0.4
164.01070	0.3
165.01828	0.9
167.03445	0.3
167.58276	0.2
173.02351	2.5
175.00291	7.4
175.03851	0.7
177.01714	0.3
185.06210	0.3
187.07524	0.5
189.05424	0.2
191.03438	0.3
193.01344	0.5
199.03847	0.4
200.04697	0.2
201.01839	0.7
201.05472	0.2
209.02907	0.2
209.06000	0.7
210.02808	0.2
211.03867	0.6
213.05470	1.0
215.03467	2.0
223.04083	0.2
225.05406	0.4
229.08643	0.3
231.06577	0.3
233.04550	1.2
235.04013	0.5
236.04587	0.4
237.05479	1.1
239.03459	0.5
240.04082	0.3
241.04889	0.5
251.03311	0.2
253.05038	0.9
256.03571	0.3
263.03464	0.3
264.04236	0.4
265.04996	1.7
267.02890	2.2
269.04517	0.4
277.08603	0.3
281.04602	1.2
284.03168	1.9
285.04001	0.7
291.02945	0.9
297.03967	1.0
298.04630	1.4
299.05524	2.1
305.08032	0.5
307.06076	0.6
308.03101	0.6
309.04034	35.5
310.04367	3.8
311.01901	0.2
313.03500	1.3
324.02704	0.8
325.07281	0.3
327.05072	3.6
339.08661	0.9
340.09195	0.3
349.07129	3.7
350.07639	0.2
351.05054	0.6
367.08185	16.9
368.08582	1.9
385.09271	100.0
386.09598	10.7
386.14691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	13.7
66.59364	2.2
67.39690	1.8
69.43665	13.3
71.01257	16.9
75.00747	11.8
76.40208	1.9
85.02824	17.7
87.00754	6.7
89.02319	6.7
91.05411	12.4
95.01273	4.9
98.20513	3.2
99.00758	9.2
103.00230	2.9
105.40425	2.3
108.06150	2.0
113.02326	30.7
117.01824	2.7
117.03343	2.7
121.02819	4.9
135.04456	11.3
175.02312	2.6
180.34288	2.2
231.05101	3.3
249.06140	42.2
250.06514	3.5
263.12512	2.2
267.07202	100.0
268.07541	6.1
309.20776	2.2
368.25375	2.3
385.11395	36.8
386.11560	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	385.0928
Annotation	Versicolorone
Peak:m/z	Relative Intensity
53.09963	0.3
55.36163	0.4
57.03328	0.6
59.01242	3.1
62.19477	0.4
64.77763	0.3
65.00228	0.9
67.01797	0.5
67.89101	0.3
68.99706	0.7
69.43055	1.2
69.43468	0.8
71.01289	1.4
83.01301	1.3
85.02827	3.0
89.00214	0.4
89.02359	1.1
93.03369	0.4
101.02367	0.6
107.01337	0.9
109.02868	1.2
111.00771	0.5
111.51917	0.3
113.02357	0.7
119.03405	0.7
119.04960	1.1
121.02866	0.7
123.00787	0.5
123.04438	0.6
124.01547	0.4
125.02322	2.6
129.01849	0.5
131.01259	0.3
132.02042	0.4
133.02843	13.6
135.00821	1.0
135.04446	0.8
137.02336	3.6
138.03082	0.5
139.03947	1.0
145.02864	0.5
149.02342	3.0
150.03026	0.3
151.00246	1.7
159.04462	0.3
161.02373	0.8
161.09592	0.4
163.03909	0.6
164.01112	0.5
165.01929	1.6
165.09198	0.7
167.03456	0.9
175.00340	1.5
175.03888	4.0
176.98276	1.4
177.01865	3.4
177.05374	0.5
178.99788	5.5
179.03397	0.5
181.05006	0.4
191.01961	1.0
193.01396	1.1
193.04951	0.5
199.03891	2.5
199.13429	0.5
201.01907	2.5
201.71883	0.3
205.08727	0.6
209.03001	0.6
217.05055	0.9
217.08517	0.4
219.06583	0.5
221.04451	0.7
223.04140	0.6
227.03401	0.6
231.06599	0.7
233.04469	0.4
239.03641	0.7
241.05037	1.0
243.02989	1.9
245.08246	0.8
255.02983	0.5
259.09750	0.5
267.02969	1.1
269.01123	0.4
269.04581	1.1
283.02444	0.4
284.03278	0.9
285.04031	14.1
286.04434	1.4
288.06509	0.4
297.04059	1.3
298.04779	1.4
299.05438	0.5
309.04074	1.4
311.01981	13.2
311.05322	0.4
312.02316	0.9
313.03522	64.8
314.03864	6.2
324.02966	1.5
324.06317	0.6
325.06909	0.4
341.13788	0.5
367.08109	3.6
367.11966	1.0
368.08240	0.5
385.09207	100.0
386.09570	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	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47759	0.8
57.03325	1.9
58.15863	0.7
59.01247	1.9
63.02266	1.2
65.00188	7.8
68.99690	1.8
73.01538	0.7
83.01263	3.0
85.02810	3.8
91.01785	1.0
93.03315	0.9
95.01238	1.6
99.40912	0.7
107.01279	2.4
107.04919	1.4
108.02033	3.6
109.02835	100.0
109.06464	2.7
110.03168	3.7
121.02888	1.2
122.03619	1.0
123.00751	0.9
124.01524	6.2
125.02379	1.1
129.06947	0.8
131.08569	2.2
133.02827	3.0
133.06482	13.7
135.00780	2.4
135.04439	1.2
137.02348	9.7
139.04060	0.8
148.01541	2.1
149.02357	2.4
149.05965	2.0
150.03154	1.9
151.00275	1.3
151.07530	6.7
152.01021	5.4
153.00647	1.3
153.01848	17.8
153.89285	0.7
155.02385	0.7
157.06497	0.9
159.04451	2.5
159.08051	0.9
161.02336	2.8
161.06021	0.8
163.00273	4.3
163.07487	0.9
164.01054	0.9
164.76591	0.7
165.01840	7.9
172.05183	1.5
173.05835	0.8
175.00317	1.7
175.03992	1.9
175.07573	8.0
176.01070	23.7
177.01851	22.8
177.05479	1.1
177.09225	1.2
178.02379	1.4
178.99777	3.3
185.05988	1.6
187.03976	1.6
187.07500	1.3
188.01035	1.6
188.04628	1.6
189.01851	2.7
189.05515	0.8
190.99791	35.2
191.07130	2.2
192.00203	2.7
193.08649	7.8
198.03160	1.5
199.03940	1.0
201.05537	1.4
202.02782	0.9
203.07069	6.8
205.05002	3.3
207.02852	1.2
211.03966	0.9
215.03410	1.1
216.04124	1.8
219.06575	38.3
220.07195	6.5
221.08141	8.5
226.02722	2.8
227.03435	1.1
229.01315	1.1
229.05052	2.7
230.02071	1.0
231.06584	47.3
232.06963	3.8
237.07674	1.7
242.02188	2.3
243.02875	1.4
247.06116	19.3
248.06387	1.0
249.07709	2.2
252.04245	2.1
254.02220	2.8
257.04492	2.5
267.03070	1.1
271.02304	0.9
272.03152	1.4
275.05600	36.4
276.06271	12.1
277.06784	1.0
279.10187	1.2
280.04028	1.4
288.06400	1.2
295.09698	6.9
298.01083	4.3
299.09308	0.9
313.10855	1.1
323.05707	1.6
323.09253	13.8
339.08701	2.9
341.10272	3.9
357.09656	1.0
367.08179	19.3
368.08563	2.3
385.09106	13.5
385.13257	1.6
386.09589	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41742	0.4
59.01235	1.5
65.00201	1.6
69.39140	3.2
75.00750	11.8
83.01266	0.9
85.02826	1.6
93.03334	5.5
95.01259	0.7
100.84679	0.4
102.55860	0.5
109.02845	2.3
111.00784	0.5
119.01260	1.1
119.04916	0.6
121.02848	24.5
122.03200	0.4
123.00755	0.6
125.02300	0.7
125.05982	1.1
132.29501	0.5
133.02850	1.9
135.00777	4.1
136.01558	0.7
137.02348	5.4
139.03935	3.1
147.00719	0.4
149.02339	8.0
149.05933	0.6
150.03143	3.4
161.02347	1.3
163.00282	39.5
164.00703	2.3
165.01825	1.8
167.07086	1.1
175.00325	0.7
176.01053	1.7
177.01891	3.2
190.99864	1.0
191.01895	0.8
191.07062	1.4
193.05042	0.6
205.01488	0.7
213.05536	0.7
217.04909	0.8
223.04100	0.5
235.06085	59.3
236.06374	4.0
239.03609	0.6
241.05101	3.4
253.07033	0.7
257.04584	1.3
259.06122	0.7
263.05627	1.5
269.04663	0.8
276.19577	0.6
277.07190	0.8
285.04056	1.4
309.20612	1.1
313.03488	8.1
314.03983	1.5
332.35022	0.5
357.09723	1.4
368.08783	0.7
385.09271	100.0
386.09601	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	385.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38804	0.2
57.03336	0.3
59.01257	0.6
63.93342	0.2
65.00204	0.9
66.73364	0.3
70.39641	0.4
70.39980	0.4
71.01263	0.2
71.58495	0.2
73.71933	0.2
77.03828	1.4
79.01762	2.8
85.02821	1.4
93.03339	1.1
97.02836	1.2
105.03368	0.5
107.01247	0.2
107.04890	0.4
108.02074	0.4
109.02836	6.8
119.04928	0.7
119.25343	0.2
121.02843	9.6
122.03646	0.3
123.04370	1.2
125.02404	0.3
125.06003	0.7
133.02831	1.2
135.04414	0.3
136.01604	0.5
137.02328	0.8
139.03917	1.6
145.02844	0.3
146.03636	0.5
147.04440	0.4
149.02342	3.0
149.06041	0.5
150.02971	0.2
151.03893	0.3
157.06454	0.4
159.04446	0.5
161.02341	0.7
161.16447	0.3
163.00281	0.5
164.01080	0.4
165.01843	10.4
165.03242	0.5
166.02209	0.5
167.07047	0.4
173.05988	0.7
174.03101	0.3
175.03917	0.4
177.01855	4.0
178.02429	0.3
183.02936	0.9
185.05937	0.3
187.03893	0.6
187.07614	0.5
191.07085	0.5
193.01329	2.7
195.04430	0.3
197.06021	0.9
199.03923	0.3
199.07605	0.4
201.05493	0.3
202.06294	0.3
203.03421	0.5
205.01355	0.4
206.02045	0.4
207.03012	0.5
211.03992	0.4
212.04773	1.0
213.05513	1.3
215.07115	0.6
217.04999	0.8
224.04692	0.3
225.05627	1.4
226.02745	0.5
227.03473	0.5
228.04158	0.3
229.05026	1.0
230.05713	0.5
231.06409	0.3
235.06137	0.7
239.03386	0.7
240.04218	5.1
241.04982	4.9
242.02107	0.4
242.05594	0.6
243.06560	0.5
253.04950	0.4
255.03072	0.4
256.03754	0.5
257.04535	11.2
258.04874	1.3
259.06046	2.2
263.05444	0.4
267.03000	0.3
268.03738	3.5
269.04529	5.7
270.04974	0.7
271.02524	0.8
281.04608	0.3
283.02441	0.3
285.04028	38.9
286.04532	5.2
287.05539	0.5
295.02438	0.9
295.09634	0.4
297.04007	1.3
298.04745	0.6
311.05518	0.4
311.09201	0.4
313.03363	0.3
314.04315	9.6
314.07968	0.5
315.05087	35.7
316.05405	3.7
321.07843	0.3
339.08704	0.7
346.03317	2.9
347.03696	0.4
349.07007	0.6
367.08170	6.2
368.08463	0.8
385.09219	100.0
386.09558	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
63.02262	0.7
65.00199	1.9
68.88313	0.3
70.20383	0.3
70.29835	0.3
71.01264	0.5
75.00748	2.8
77.11695	0.3
83.01257	0.8
85.02823	1.2
91.01766	0.6
93.03339	4.7
95.01287	0.4
98.19810	0.6
101.02381	0.3
107.01264	0.4
109.02841	3.2
119.01250	1.0
119.04906	0.8
121.02842	22.4
122.03164	0.8
123.00809	0.4
125.02337	0.6
125.05956	1.0
133.02864	2.4
135.00766	3.4
136.01524	0.8
137.02319	4.7
139.03903	2.5
147.00716	0.3
149.02350	6.4
149.05962	1.0
150.03133	3.4
151.00366	0.3
153.01855	0.3
159.04411	0.6
161.02339	1.8
162.77406	0.3
163.00273	38.5
164.00681	1.8
165.01854	1.7
167.06961	0.8
171.04433	0.3
173.05946	0.4
175.00240	0.8
175.03860	0.4
176.01114	1.9
177.01833	3.5
179.03381	0.3
185.06165	0.4
189.01817	0.5
190.99786	1.0
191.01906	0.3
191.07097	0.9
193.04947	0.7
197.06015	0.7
199.03778	0.3
201.05562	0.4
205.01314	0.7
213.05513	0.8
217.04968	1.0
219.06577	0.6
223.04118	0.3
227.03496	0.3
231.06641	0.3
235.06082	53.5
236.06406	4.2
241.04996	2.7
243.02936	0.4
251.03447	0.4
253.07062	1.2
257.04590	0.9
259.06100	0.6
263.05600	1.7
269.04517	1.6
270.04999	0.4
277.07199	0.9
285.04010	1.3
288.06433	0.3
311.01993	0.4
313.03513	8.3
313.47382	0.3
314.03983	0.8
331.31143	0.3
357.09671	0.8
385.09253	100.0
386.09592	12.7
386.14624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03049	1.0
57.03322	16.4
59.01250	7.7
68.99693	0.9
69.24532	0.6
70.39040	0.5
70.65667	0.8
71.01252	6.8
72.99181	2.5
75.00733	2.0
80.89317	0.6
83.01260	4.0
84.02053	3.1
85.02821	100.0
86.03139	3.0
87.00755	1.5
89.02301	0.7
101.02329	1.4
103.00245	1.9
110.84335	0.5
111.00771	6.6
129.01840	10.4
133.01312	1.0
134.03650	4.7
137.73828	0.5
147.02892	11.7
149.02443	0.6
149.05980	0.5
149.81155	0.5
151.73401	0.5
173.00815	1.6
191.01894	27.8
192.02266	1.1
193.05011	2.0
205.03459	3.1
209.02963	17.5
210.03539	0.7
217.64226	0.6
223.04541	13.1
224.04863	0.6
278.97827	0.5
317.17093	0.5
324.04800	0.7
341.53467	0.6
385.07559	1.2
386.13892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
57.03321	10.5
59.01245	4.8
68.99700	0.9
71.01205	3.6
72.99184	0.9
75.00737	0.8
83.01263	2.3
84.02041	2.0
85.02823	100.0
86.03161	2.9
87.00760	0.8
101.02297	0.9
103.00233	1.9
111.00768	4.2
115.00301	0.7
116.76707	0.6
129.01839	12.0
134.03654	1.8
147.02901	18.4
173.00851	2.4
175.76431	0.6
191.01901	38.2
192.02229	1.0
193.05028	2.0
205.03575	0.9
209.02966	15.7
223.04533	3.8
259.93726	0.7
385.07907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03328	13.8
59.01249	9.5
68.99685	1.8
71.01253	10.0
71.10474	1.3
71.10835	1.0
72.42087	0.7
72.42510	0.7
72.99170	3.0
75.00758	3.4
83.01257	4.5
84.02044	3.5
85.02822	100.0
86.03162	2.3
87.00739	1.1
89.02316	2.7
101.02299	1.7
103.00263	2.5
111.00789	7.1
115.00263	0.8
118.26497	0.8
129.01830	9.5
133.01303	2.9
134.03621	4.6
147.02901	10.3
158.05930	0.9
164.04665	0.9
173.00835	1.4
191.01897	30.4
191.03625	1.7
192.02235	1.2
193.05002	2.1
205.03485	1.7
209.02966	51.4
210.03304	2.4
223.04549	7.9
225.87181	0.8
381.57626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.8
57.03320	20.0
59.01240	8.0
71.01252	9.0
71.32348	2.3
75.00742	3.6
78.91278	1.8
82.35696	1.3
82.66492	1.4
83.01262	7.6
84.02027	4.3
85.02823	100.0
86.03168	1.6
87.00736	2.8
101.02309	4.1
103.24139	1.4
104.88940	1.5
111.00753	22.7
112.38627	1.6
129.01855	17.1
134.03664	3.8
135.04256	1.6
136.03949	1.5
138.16006	1.8
147.02907	8.5
159.25961	1.5
185.81511	1.5
191.01901	19.8
191.05539	4.9
205.03456	25.3
206.03665	1.9
209.02950	12.3
223.04530	77.8
224.04811	1.9
282.39243	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76546	0.5
55.01753	2.2
57.03048	0.8
57.03321	14.4
59.01246	7.1
68.99696	0.7
70.28406	0.5
71.01246	5.0
71.52098	0.7
71.93078	0.5
72.99175	2.4
73.02805	1.0
73.78171	0.5
75.00741	2.6
81.46563	0.5
83.01247	3.4
84.02051	2.8
85.02820	100.0
86.03164	2.1
87.00751	1.7
89.02302	0.5
96.95911	3.3
99.00787	0.6
101.02319	3.9
103.00262	1.0
111.00757	10.6
112.01136	0.9
115.00200	0.6
121.02855	0.8
122.03599	1.1
126.84357	0.5
129.01823	12.9
133.01334	0.8
134.03632	2.7
135.04381	1.7
139.51584	0.6
147.02896	9.9
157.08830	0.6
158.05989	0.6
165.03824	0.6
173.00739	0.8
179.03419	0.8
191.01897	20.3
192.02171	0.8
193.04980	1.9
203.75244	0.5
205.03499	10.3
209.02948	7.2
223.04535	37.8
224.04848	1.2
385.07773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24873	0.9
55.01762	1.4
57.03328	12.5
57.64127	1.0
59.01249	7.2
59.83339	0.9
62.03881	0.8
68.99715	1.2
70.06666	3.4
71.01250	4.5
72.99194	1.1
75.00761	2.0
83.01260	2.7
84.02041	3.0
85.02825	100.0
86.03149	2.3
87.00756	1.5
89.02326	1.2
89.39865	0.9
103.00233	2.2
111.00786	4.9
120.19934	0.9
129.01831	8.4
133.01318	1.2
134.03638	3.4
147.02907	12.4
148.42345	1.1
149.05919	0.9
173.00871	1.2
174.44641	0.9
189.58331	1.0
191.01888	27.4
192.02205	1.1
193.05009	1.7
195.22417	1.0
209.02931	13.7
223.04622	1.7
307.10983	1.1
307.83609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	9.1
59.01252	49.7
68.99712	5.7
70.73382	7.4
71.01258	55.8
71.04898	13.5
72.99178	42.0
73.02824	10.6
74.02339	6.8
74.98978	11.4
75.00753	30.9
83.01279	6.4
85.02816	57.9
87.00754	29.6
87.04391	6.8
89.02317	29.0
90.90021	4.6
95.01246	5.9
96.95879	12.0
99.00737	20.9
101.02335	14.8
101.05918	6.1
103.00259	14.5
113.01625	7.3
113.02332	74.6
115.00251	6.4
115.03884	28.6
117.01797	6.8
118.97950	13.2
129.01836	14.4
133.02792	10.8
133.04924	6.8
135.04390	11.2
141.06508	7.0
165.01889	6.1
171.90503	4.7
175.02367	8.6
177.01968	29.6
177.73541	4.8
178.02298	8.3
179.02266	14.4
189.85031	4.6
191.01855	6.9
193.03461	15.0
195.03012	6.0
249.06140	45.7
250.06560	4.9
263.09335	4.6
267.07217	100.0
268.07498	9.4
311.09354	4.6
323.09644	5.7
381.22681	5.6
383.11929	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80836	0.7
59.01251	100.0
60.01590	1.2
61.39025	0.7
62.96566	0.6
63.51502	0.6
64.44045	0.7
69.03336	0.9
70.91113	1.1
71.01238	3.4
73.02836	0.8
80.24522	0.6
85.02843	2.1
87.00764	1.0
89.02332	1.4
96.39489	0.7
96.95911	1.1
101.02341	1.8
113.02359	1.6
119.04916	32.0
120.05260	1.5
124.10539	0.7
135.04468	1.0
137.02345	1.0
153.35081	0.7
161.04517	0.7
164.04744	0.7
179.07042	0.7
234.72569	0.7
241.39876	0.7
285.04010	0.7
311.05624	1.1
355.08289	0.9
383.07819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1133
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
53.93803	0.3
59.01240	0.6
69.47077	2.2
79.01748	1.5
90.26494	0.3
91.51777	0.3
107.04893	0.5
109.02863	0.8
122.03665	0.4
123.00726	0.5
133.02841	9.4
133.06471	0.3
133.24831	0.4
134.03647	4.0
135.04431	2.7
147.04411	0.4
149.02341	2.1
150.03055	1.1
151.03905	0.9
159.04329	0.4
161.02306	0.8
162.03085	0.4
174.03160	0.5
175.03896	1.6
177.01846	6.4
177.05408	0.8
178.02487	0.8
179.03374	1.5
201.01842	0.7
203.03389	0.4
213.05507	0.6
225.05551	0.6
227.07053	0.7
228.07993	0.4
239.07095	1.3
240.07669	0.4
241.04965	1.1
243.06596	0.4
255.06740	1.8
256.07309	0.5
267.06564	1.8
269.04517	1.3
283.06046	4.0
284.06741	1.4
285.63538	0.4
296.03195	0.4
297.04056	1.4
298.04739	1.0
309.20718	0.5
311.05569	20.6
312.06357	72.1
313.07047	22.2
314.07584	1.7
319.42630	0.3
344.05481	0.7
365.10260	3.8
383.11325	100.0
384.11697	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	383.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.6
65.00168	0.3
70.86129	0.5
70.86453	0.3
71.01234	0.8
73.02821	0.4
79.01762	0.4
83.01252	0.3
83.22792	0.2
85.02833	0.3
87.00724	0.3
89.02314	0.7
91.36858	0.3
101.02314	0.4
101.69811	0.2
107.04934	0.4
109.61214	0.3
113.02328	0.7
119.04913	0.5
121.02805	0.5
123.04404	0.3
125.02336	0.3
131.04889	0.5
133.02846	14.7
134.03188	0.8
135.04370	1.3
137.02315	0.7
147.04405	1.2
149.02338	1.9
151.00313	0.3
157.55650	0.3
161.02292	0.4
161.04422	0.4
165.05399	0.5
167.60397	0.3
174.03101	0.4
175.03908	8.0
176.04195	0.4
177.01854	9.7
178.02148	0.5
187.03860	0.3
187.35762	0.3
198.03085	0.3
199.03860	0.4
201.01843	1.2
211.03928	0.3
211.07549	0.7
213.05576	0.4
224.04730	0.5
225.05426	0.5
226.02692	0.4
227.03426	0.6
237.05406	0.7
239.07089	3.6
240.04242	0.5
240.07745	0.4
241.05019	1.7
247.05902	0.3
248.06726	0.3
252.04141	1.1
255.02939	0.8
255.06635	1.2
265.04843	1.6
267.06631	2.5
268.03726	0.6
269.04459	1.4
283.06104	6.3
284.06656	0.8
293.04672	0.7
296.03259	0.3
297.03818	0.4
311.05600	59.1
312.06122	9.9
313.07068	1.7
323.09726	0.4
325.06723	0.5
341.10825	0.6
365.10315	1.4
383.11331	100.0
384.11673	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	383.1133
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.01759	0.5
57.72237	0.3
57.80400	0.3
59.01257	2.7
65.00192	1.3
68.99698	0.5
69.81237	0.9
69.81619	0.5
71.01262	1.8
73.02808	0.4
77.03836	3.9
79.01759	10.1
81.03371	0.3
83.01262	0.5
85.02819	0.8
87.00777	0.7
89.02309	1.3
93.03331	4.8
97.02845	0.4
98.19873	0.7
101.02336	0.7
105.49416	0.3
107.04903	0.8
109.02816	3.4
109.06476	0.8
113.02308	0.7
116.25444	0.4
119.03358	0.4
121.02839	18.2
121.23242	0.4
122.03117	0.5
123.04439	0.8
125.14785	0.3
127.08526	0.4
133.02806	0.4
133.06493	5.8
134.03629	0.4
135.04401	0.4
136.01535	0.4
139.03911	2.6
145.10133	1.5
146.03589	0.6
147.04411	0.5
148.01500	0.4
149.02347	3.2
151.03912	0.9
161.02269	0.4
161.09692	1.7
162.03142	0.9
162.15031	0.4
163.03764	0.4
163.07565	0.5
164.01073	1.3
165.09082	5.4
173.05945	0.5
174.06732	0.6
175.03937	0.7
177.01813	1.2
177.09142	0.8
187.07516	0.5
189.01863	1.0
189.09128	9.6
190.02644	5.5
190.09596	0.4
191.03337	1.2
201.17044	0.4
203.07043	0.6
205.08635	4.3
217.08501	0.4
225.05426	0.7
231.03001	1.0
231.06598	0.6
233.08144	37.4
234.08459	2.8
240.04370	0.5
241.05005	1.1
243.02930	0.3
245.08157	0.5
251.09224	1.5
254.05754	0.5
255.06676	1.7
256.07205	0.4
257.04575	0.6
261.07639	7.5
261.29922	0.3
262.08090	0.5
269.04559	0.7
271.06055	2.2
275.09323	0.9
281.04611	0.4
282.05310	0.6
283.06046	1.9
285.03854	0.7
291.19516	0.5
295.06149	1.0
297.04044	0.8
297.07300	0.4
298.04214	0.4
299.05457	2.5
311.05603	0.7
311.09216	0.7
311.12991	0.4
312.06186	0.6
313.07190	2.7
322.04849	0.8
323.09772	1.0
327.12253	0.7
328.05920	0.5
339.04935	1.0
339.08698	1.5
341.10931	0.8
355.11691	0.8
368.09015	0.6
383.11349	100.0
384.11707	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	383.1134
Annotation	Oxyisocyclointegrin
Peak:m/z	Relative Intensity
59.01246	2.3
65.00174	0.5
68.99669	0.7
70.16489	0.3
70.64310	0.3
71.01236	1.2
71.98704	0.5
73.02805	0.5
78.95766	0.8
83.01289	0.5
89.02306	0.5
95.01247	0.5
96.95856	0.5
97.61126	0.4
101.02306	0.7
107.04900	0.9
109.02828	9.4
113.02325	0.9
115.16773	0.4
117.03342	18.7
118.03706	0.7
119.04868	0.7
121.06514	0.4
129.64297	0.4
131.04878	0.8
133.02817	1.1
135.00829	0.5
135.04434	0.6
145.02824	2.2
149.05963	1.6
152.99506	2.1
153.01836	3.5
159.04428	0.8
161.02319	0.8
163.00229	0.7
166.15785	0.4
173.06030	1.1
174.06325	0.4
175.03851	0.6
177.05502	1.5
185.02382	0.5
185.06013	0.7
187.03902	5.3
189.01857	8.4
189.05493	0.7
190.02242	0.4
190.06223	0.7
190.99750	3.4
191.06966	0.7
203.03365	0.6
207.02910	0.6
217.04994	4.8
218.05687	1.6
219.06516	1.8
221.08105	3.9
227.07030	2.3
229.05022	4.7
229.64314	0.4
235.07532	0.5
239.07117	0.5
245.04509	1.0
245.08147	0.5
246.05203	0.9
247.06226	0.8
251.07086	1.2
263.07025	0.7
273.03967	2.1
274.04828	2.0
278.05920	0.6
279.06601	1.1
281.04333	0.5
282.05347	1.7
284.03363	0.9
293.08160	0.5
295.06110	0.8
296.06812	0.9
297.07614	1.8
306.05322	0.5
307.06097	50.7
308.06497	4.3
321.07648	1.3
322.04681	1.4
325.07150	1.6
337.10709	1.1
339.08771	0.6
341.10666	0.7
347.05328	0.6
347.09210	6.6
349.07053	1.1
365.06497	1.5
365.10312	20.3
366.10599	2.8
383.11343	100.0
384.11658	14.1
385.58234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77358	0.3
58.91975	0.3
59.01260	2.3
67.01768	0.4
69.18878	1.7
69.19308	0.9
71.01249	0.8
73.02821	0.4
79.01768	0.6
89.02328	0.9
97.56090	0.3
101.02284	0.6
107.01269	0.3
113.02324	0.9
117.03358	0.5
119.03390	0.3
119.04907	1.2
121.02859	0.4
123.04422	0.7
132.02049	0.6
133.02847	16.2
134.03088	0.6
135.04413	0.3
145.02896	0.4
147.04420	1.3
149.02283	0.3
151.00276	0.9
154.69440	0.3
161.02409	0.4
161.04579	0.4
161.06010	0.5
163.00372	0.4
163.03943	0.6
175.00122	0.3
175.03938	1.7
177.01877	0.7
180.44307	0.3
185.05867	0.3
187.03897	0.6
189.01807	0.6
189.05415	1.9
191.03444	2.2
201.01884	1.2
211.03853	0.3
213.05547	1.1
215.03409	0.5
216.02084	0.3
225.05359	0.7
225.16631	0.3
229.08623	0.5
231.06631	0.5
239.07143	0.3
241.05161	0.3
247.72754	0.3
249.07726	1.0
252.91656	0.4
253.08640	0.4
255.03004	0.7
265.04956	0.4
266.05807	0.4
271.06085	1.0
281.08084	0.7
283.06195	0.7
285.04034	0.8
298.04803	1.2
307.06094	4.1
311.05579	2.9
312.02789	1.1
312.06390	1.1
313.03592	0.5
322.04703	0.4
323.05627	4.9
323.09521	0.7
324.06201	1.3
325.07150	10.5
326.07449	0.9
338.99203	0.4
341.10764	0.7
349.07025	0.6
350.07968	0.4
353.10269	0.7
353.89166	0.4
355.07584	0.4
365.02982	0.3
365.10263	5.1
366.11017	0.5
383.11371	100.0
384.11752	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	383.0769
Annotation	Sanguinolignan B
Peak:m/z	Relative Intensity
55.39864	0.5
57.03339	0.6
57.95893	0.6
59.01242	4.8
63.92742	0.6
71.01259	1.9
71.19597	0.5
71.19957	0.7
73.02841	0.5
74.85641	0.5
83.01263	0.8
85.02835	1.1
87.00742	0.7
89.02348	1.5
93.03328	7.5
101.02333	1.4
103.05459	0.7
109.02860	2.2
113.02348	1.5
119.04938	1.1
121.02837	32.6
122.03206	1.5
123.04411	0.6
125.02296	1.2
133.02896	0.7
135.04480	0.7
139.03922	2.4
143.04912	1.7
147.00819	0.7
147.04419	0.8
149.02345	2.6
151.69907	0.5
163.00214	0.8
171.04411	16.7
172.04771	0.7
175.00183	0.8
177.01813	1.2
189.05528	2.5
215.03432	63.6
216.03777	3.7
221.08150	0.8
228.04231	1.1
233.04497	72.7
234.04840	5.0
246.05379	1.6
251.05576	1.6
254.05775	0.5
257.04456	1.0
261.03986	2.8
263.09171	3.0
281.04327	0.7
283.02542	0.6
285.03864	0.9
293.07813	0.7
297.03885	0.9
309.07626	0.8
309.20764	1.5
311.05518	3.1
311.09222	1.5
312.06445	0.9
321.07730	0.7
323.09778	1.0
327.08704	1.3
339.08746	1.0
341.10803	1.0
355.08282	1.5
365.06470	0.7
383.07605	100.0
383.11224	5.3
384.07996	12.7
384.12152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	10.0
64.78320	1.2
67.25694	1.0
68.99692	1.2
69.17561	10.9
71.01252	7.5
73.02816	1.8
83.01232	1.7
85.02814	2.0
85.89533	1.1
87.00767	2.2
89.02310	4.8
93.03307	1.5
98.19810	2.1
98.75793	1.1
101.02307	3.4
109.02818	5.6
112.57533	1.0
113.02295	2.8
119.03376	1.3
119.04852	1.2
119.39385	1.1
121.02843	100.0
122.03173	4.2
133.02800	1.8
135.04337	1.3
139.03853	1.2
140.14124	1.0
147.04468	2.4
149.02328	2.6
151.03871	2.3
156.79915	1.2
160.64453	1.1
161.09621	1.8
175.00159	1.5
177.01842	3.2
179.05608	1.4
181.06425	3.2
191.03432	8.8
205.08607	4.8
211.13153	1.2
225.05530	6.9
229.08699	1.6
231.06525	1.9
244.57108	1.2
251.06970	1.9
255.06615	7.6
261.07645	1.5
273.07617	1.8
278.81555	1.2
283.06116	4.2
295.06073	11.0
296.06451	1.6
311.09222	15.8
312.02756	1.3
312.06259	2.8
312.09454	1.6
313.07150	27.5
314.07617	1.2
323.09671	4.2
325.03461	1.4
339.08743	16.0
339.12527	2.1
341.10941	2.7
355.11786	4.8
365.10333	6.6
368.08786	3.2
383.07477	22.0
383.11407	24.4
384.07785	2.8
384.12051	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96259	0.6
59.01253	1.4
71.53909	0.6
72.18646	0.5
78.89803	0.7
78.90270	0.7
78.95774	2.7
87.22414	0.5
108.03048	0.6
122.03674	0.6
148.01471	0.5
151.11139	0.7
152.99474	4.2
153.12749	2.8
155.14380	0.8
163.11258	1.4
165.12761	3.1
167.14975	0.7
170.05852	2.9
179.10695	13.3
180.11060	0.7
181.12263	35.2
182.12617	2.1
195.10191	2.7
197.11832	1.5
199.13332	100.0
200.13663	7.4
215.12808	2.4
219.43719	0.6
349.19080	0.7
363.25360	5.8
381.26602	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.8
62.23631	0.8
71.08501	1.2
78.95773	4.7
89.09607	0.8
94.14648	0.8
96.95907	0.8
109.06460	0.8
128.78777	0.7
137.06049	1.2
138.06731	1.1
151.07585	1.3
152.99481	6.9
169.92986	0.8
170.05788	5.0
191.00099	0.8
199.13345	2.6
233.19119	1.7
251.20148	3.7
261.18512	0.9
277.18085	67.1
278.18427	6.8
279.16519	1.5
279.19611	27.1
280.20178	1.2
295.19128	100.0
296.19516	8.5
309.54761	0.8
363.25388	16.6
364.25763	2.8
381.26724	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79476	1.1
55.46475	1.1
59.01251	100.0
68.11028	1.0
69.81572	5.1
71.01231	3.3
83.09193	1.0
89.02319	2.1
101.02351	1.3
113.02316	2.0
149.32846	1.2
289.31497	1.1
323.09747	1.6
341.10754	2.5
369.82538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0977
Annotation	Artonin K
Peak:m/z	Relative Intensity
59.01244	1.0
59.34868	0.3
64.46177	0.3
70.26347	0.3
72.11388	0.3
76.91107	0.3
78.95782	0.4
95.19262	0.3
96.95901	0.6
109.02782	0.3
113.62679	0.3
132.02103	0.6
133.02843	20.0
134.03201	0.7
163.03780	0.4
172.03987	0.4
185.06004	0.9
187.03958	0.4
189.01791	0.8
201.01823	0.5
201.58159	0.4
207.83153	0.3
212.04768	0.3
214.46275	0.3
215.89156	0.3
227.07051	3.4
228.07584	0.5
229.05006	7.6
230.05440	0.4
239.58115	0.3
247.06064	1.3
249.05516	0.4
251.06924	0.4
255.02950	0.4
279.06470	0.5
281.04437	0.7
289.18030	0.8
304.07367	0.7
310.04974	0.4
319.06244	0.4
319.09732	1.4
321.07660	1.8
323.05585	15.8
324.05991	2.1
335.09259	0.9
337.10886	0.6
339.08856	0.5
345.07770	0.4
353.10132	1.0
363.08728	13.6
364.09134	1.2
365.06531	3.1
366.06927	0.5
381.09769	100.0
382.10098	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72041	0.6
59.01253	100.0
60.01601	1.2
69.21948	0.6
69.22267	5.5
101.02341	0.7
101.22775	0.8
108.50084	0.6
148.41248	0.7
154.59857	0.6
195.37520	0.7
218.28474	0.6
243.20009	0.7
366.21228	0.7
381.07227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.31284	0.9
71.45290	1.4
96.71309	0.9
106.78040	1.1
131.93912	0.9
147.18626	1.0
162.82130	0.9
190.38603	1.1
202.27666	0.9
250.65494	1.0
268.19406	1.0
343.45047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27699	0.2
55.24445	0.2
56.40183	0.2
59.01244	1.9
68.99667	0.3
69.03317	0.3
71.01250	1.1
71.23613	0.2
71.23960	0.2
72.99181	1.3
74.02313	0.3
75.00737	0.6
79.80058	0.2
81.03336	1.0
85.02824	1.0
87.00755	1.3
89.03837	2.3
93.03342	0.3
99.00723	0.5
99.05479	0.2
101.02309	0.4
101.05986	1.0
101.62202	0.2
103.00299	0.2
104.02574	0.4
105.03349	4.3
111.00748	0.3
113.02318	0.8
117.01805	0.2
129.01793	0.6
133.02849	10.4
134.03134	0.4
138.03761	0.3
141.06604	0.7
148.01550	0.7
149.00920	0.2
149.02293	1.2
151.03893	0.2
159.02876	0.3
170.05002	0.2
176.01074	1.5
177.01848	100.0
178.02187	5.7
185.05589	0.6
191.01936	0.3
249.06219	0.4
267.07217	0.5
285.04111	0.2
343.88739	0.3
349.11340	0.3
381.08282	6.0
381.13660	0.7
382.08136	0.2
382.10861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22735	0.8
55.01752	3.1
56.61975	0.8
59.01249	10.8
67.01748	0.8
69.03325	100.0
69.75065	2.5
70.03662	2.6
71.01266	4.3
71.01604	0.7
72.99178	2.3
73.02803	3.8
75.00748	0.8
76.71442	0.6
79.01795	0.8
85.02824	1.4
87.00687	0.9
89.02346	0.9
95.01256	1.9
97.02829	22.8
99.00754	23.8
101.02303	1.7
111.00786	1.0
113.02341	1.9
123.00797	1.4
134.03644	5.1
135.04411	0.9
141.01826	6.4
149.96703	0.7
159.02898	0.7
178.02750	0.8
185.00847	40.3
186.01205	1.5
193.05043	3.1
203.01907	18.8
203.03651	1.2
227.76997	0.8
237.29779	0.7
250.11884	0.7
285.04123	0.9
379.07166	1.1
379.19717	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	378.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90288	1.6
59.01244	7.9
61.98705	100.0
68.09489	1.8
70.75594	1.9
71.53049	1.9
85.62260	1.9
109.58605	1.9
121.33061	1.9
140.37941	1.8
182.28546	2.0
204.87672	1.8
270.38492	1.7
275.26944	1.9
277.10898	2.1
299.05630	3.0
315.08850	2.3
329.99026	1.9
364.37601	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	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.8
56.18217	0.5
61.95352	0.5
67.01759	0.9
67.73712	0.6
69.03325	100.0
69.68125	0.5
70.03655	2.1
71.01250	1.4
71.30361	0.5
72.99187	2.1
79.01747	4.1
85.02827	1.0
95.01263	2.1
97.02826	19.8
97.28876	0.7
99.00752	25.2
123.00791	1.1
125.81593	0.5
132.38551	0.5
134.03648	5.3
139.03766	0.5
141.01820	12.5
178.02597	0.6
185.00838	49.0
186.01204	1.8
192.51202	0.6
193.04984	5.6
203.01927	1.5
255.33612	0.6
290.30051	0.6
379.06561	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	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	27.2
68.43232	1.5
71.01250	1.7
71.53500	1.8
78.95728	1.8
79.95576	1.5
85.18784	1.5
89.02343	3.7
95.04896	1.7
96.95888	1.9
102.67210	1.5
119.03436	1.7
125.09613	2.1
131.20668	1.4
143.03477	1.9
171.10178	32.5
179.05408	3.3
180.94174	1.5
183.10187	2.8
192.28958	1.3
209.07941	2.0
215.03302	1.6
217.05983	1.6
277.21692	40.5
278.21872	3.6
295.22769	100.0
296.23108	9.3
317.20996	29.3
318.21078	2.5
341.10934	9.3
361.19934	5.4
377.08548	5.7
377.23047	21.9
378.23285	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	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94126	2.2
55.71479	2.4
57.03313	5.8
59.01001	2.2
59.01255	34.9
68.99694	3.4
69.03307	2.1
71.00886	3.4
71.01250	33.1
72.99171	11.7
73.02812	3.2
75.00354	3.2
75.00745	37.1
83.01249	3.8
85.02826	46.2
87.00755	12.4
89.02308	8.7
95.01245	8.1
98.19815	6.8
99.00751	19.4
100.22456	1.7
103.00225	3.4
103.78157	1.8
107.25320	1.7
109.02811	4.8
113.02328	48.8
115.00267	3.3
117.01778	6.6
125.02324	2.1
127.07544	90.3
128.07896	2.4
129.01825	4.6
135.04329	2.7
157.01239	3.1
161.02296	3.4
175.02385	5.0
194.86934	2.0
229.45450	2.2
231.04996	7.8
249.03499	3.0
249.06114	56.2
250.06435	2.5
267.07166	17.1
341.10812	5.4
359.13419	4.4
377.14444	100.0
378.14828	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	377.1453
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01754	1.1
57.03315	2.5
59.01247	15.9
61.98697	0.9
67.01756	1.1
68.99669	0.8
69.03333	1.4
69.87261	2.0
69.87648	1.7
71.01253	16.2
72.90693	0.8
72.99191	4.6
73.02818	2.0
75.00745	22.7
76.53780	0.8
81.03314	0.8
83.01256	1.9
85.02829	21.2
86.03158	0.7
87.00746	7.2
89.02306	4.9
93.03322	0.9
95.01263	5.0
97.02856	0.9
99.00754	11.2
103.00231	2.1
111.00779	1.9
113.02325	27.7
115.00256	2.6
117.01854	4.7
127.07539	100.0
128.07880	3.1
129.01863	1.3
133.02855	1.0
139.00252	1.3
157.01331	1.9
161.02386	1.5
173.04550	0.8
175.02354	4.0
205.07057	0.8
231.05038	3.5
249.06122	29.4
267.07269	4.6
341.10947	1.7
347.13724	0.9
359.13412	2.7
377.14499	66.5
377.29050	3.9
378.14801	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	376.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.95572	1.2
60.01585	1.9
61.98701	1.4
76.46023	1.0
112.41997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95291	0.4
55.01754	0.5
56.57247	0.5
58.00436	2.0
59.01249	35.0
63.83784	0.4
71.01251	32.2
71.52221	0.9
72.01567	0.7
72.99181	2.6
73.02795	0.7
75.00726	0.5
83.01231	1.0
85.02813	4.9
87.00742	4.6
89.02312	47.1
90.02608	0.6
95.01257	2.4
99.00712	1.4
101.02319	17.0
102.02663	0.4
111.00742	1.1
113.02331	14.2
114.02610	0.6
119.02604	1.0
119.03385	16.5
123.00732	0.6
125.02205	0.6
129.01775	1.6
131.03377	2.7
133.41621	0.4
141.01787	1.6
141.02913	0.4
143.03369	4.1
143.51126	0.4
149.04414	1.5
159.02866	1.1
161.03423	0.5
161.04474	4.9
168.57347	0.5
179.05528	25.5
180.05832	0.6
196.01616	0.5
197.02110	3.4
199.24849	0.6
215.03212	18.9
216.03535	0.6
221.06635	0.5
231.95158	0.5
339.09439	0.6
341.10852	100.0
342.11166	7.1
377.08536	47.9
378.08844	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	376.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98696	49.9
70.72900	33.2
71.52494	28.7
76.23700	28.4
79.95604	63.5
172.18947	27.2
219.52998	36.8
232.29526	33.1
258.70145	30.8
298.05017	41.3
313.06927	75.5
376.21628	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	40.3
61.98680	3.2
64.68301	2.6
99.92464	3.6
109.06460	2.6
115.91932	2.7
121.10105	21.8
146.94466	2.4
171.08768	3.6
171.10170	53.7
183.13734	9.7
231.21204	3.3
275.20139	74.1
276.20511	6.2
278.11423	6.9
293.21207	100.0
294.21521	10.6
315.19397	48.9
316.19638	8.2
332.15488	3.0
359.18231	8.2
375.12000	3.3
375.21292	27.0
375.29285	3.0
376.20987	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	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74869	8.3
59.01242	58.4
70.73730	18.1
71.01252	100.0
89.02315	37.8
96.59076	7.0
140.84676	7.6
160.73146	7.9
180.77901	8.0
310.70071	7.8
375.25455	9.3
393.83029	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
55.70184	2.1
57.03309	7.8
59.01249	69.7
71.01256	54.6
71.19923	3.0
72.99171	4.5
73.02814	9.6
83.01244	10.5
85.02814	29.3
87.00752	4.5
89.02312	35.0
95.01262	7.0
96.95921	2.7
99.00737	5.2
101.02322	45.3
113.02338	16.6
119.03389	18.9
125.02329	3.0
125.04109	3.0
154.02750	2.3
161.04462	6.1
167.03386	2.9
177.09087	9.6
179.05515	4.3
195.10107	3.0
208.74330	2.3
211.33868	2.5
212.08221	3.1
231.66652	2.5
255.08717	11.7
326.13754	2.7
357.15509	28.2
375.16577	100.0
376.16684	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83428	1.0
68.35077	0.9
71.77268	1.0
74.98942	3.2
76.15118	0.8
93.31571	0.9
97.66752	1.0
98.20666	2.1
142.13696	0.8
159.08401	8.9
161.06302	3.1
161.80609	1.0
180.58067	1.0
209.01167	2.0
217.07019	1.7
277.07642	2.5
289.07520	2.6
291.09097	100.0
292.09146	12.2
309.10126	2.5
340.79889	0.9
351.20108	1.0
357.13904	2.5
359.15338	99.0
360.15549	18.8
375.18616	5.1
376.18390	1.7
377.16406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21797	0.5
66.15128	0.6
70.38818	1.4
70.41331	0.8
74.98946	2.4
79.99782	0.5
93.00014	1.6
149.00862	0.5
159.07179	0.7
159.08388	9.6
160.08456	0.7
161.06316	2.4
178.77728	0.5
192.98065	0.8
202.27905	0.5
209.01192	1.9
217.07146	1.3
275.05954	1.1
277.07541	2.3
289.07614	2.2
291.09094	89.8
292.09238	13.1
309.10187	1.0
357.13800	1.5
359.15344	100.0
360.15488	18.8
375.18451	5.5
376.18524	1.6
377.16428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
57.03312	1.6
58.00462	1.7
58.98576	0.7
59.01249	28.4
63.63435	0.7
68.36742	0.6
69.03315	2.2
70.01917	2.9
71.01249	23.7
71.04883	0.9
72.99177	2.2
73.02819	4.8
76.46904	0.7
83.01252	2.7
84.38922	0.7
85.02827	7.2
86.86265	0.8
87.00740	1.4
89.01756	1.0
89.02319	18.3
90.02634	0.7
95.01254	1.6
95.04893	5.1
97.06470	2.4
98.03616	6.5
99.00742	1.5
101.02320	10.8
107.04890	7.1
113.02308	8.6
119.03397	7.7
125.02302	1.2
125.09582	1.2
135.04367	1.1
135.08032	1.4
136.08827	1.0
143.03430	0.8
149.09612	3.3
151.11186	77.0
152.11487	4.6
154.09877	1.0
161.04483	2.6
169.12218	12.9
179.03392	0.9
179.05658	0.9
193.34343	0.7
195.10188	100.0
196.10530	4.9
213.11253	0.9
217.14417	0.9
285.99564	1.0
304.60352	0.8
375.08530	1.3
375.18320	0.7
375.27524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.8
57.03312	2.8
58.00451	5.6
59.01250	100.0
69.03315	1.7
71.01254	56.5
71.15100	1.5
72.01598	1.5
72.99173	5.0
83.01265	2.8
83.04873	2.0
85.02833	10.2
87.00735	3.7
89.02315	63.0
95.01261	4.3
95.04879	6.7
97.06432	2.2
101.02321	32.1
107.04908	7.1
113.01639	1.7
113.02338	22.0
115.07523	5.8
119.03387	29.6
125.09636	1.3
131.03403	1.8
135.08118	1.7
136.05154	2.2
139.11151	3.3
143.03394	2.5
149.04442	1.3
149.09523	2.2
151.11192	56.2
152.11490	2.1
152.52954	1.3
153.12668	1.5
161.04456	2.0
164.08327	3.1
167.10715	3.0
168.45726	1.3
169.12236	5.5
177.09122	9.2
179.05486	4.1
183.51865	1.6
183.53500	1.3
185.11768	4.4
193.12314	6.7
195.10199	96.7
196.10536	5.3
211.13289	4.3
213.11256	17.7
226.20772	1.3
226.23398	1.3
255.12163	1.5
325.12067	1.3
375.11386	1.8
375.16394	2.6
375.27615	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	375.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	67.5
60.99169	14.8
69.59801	10.2
71.20469	22.7
79.01762	10.9
83.01280	16.1
88.98672	100.0
125.02326	10.9
133.02890	13.4
135.04424	17.6
139.00272	24.5
151.00275	14.8
175.00275	10.7
178.47136	11.7
179.03444	14.0
182.53490	11.4
190.31734	10.4
221.00844	11.9
222.92532	25.4
285.04001	85.1
349.15717	11.5
355.96848	11.5
359.93188	12.1
374.26227	23.4
374.93646	36.3
375.20013	13.9
375.27316	47.9
394.30438	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03315	2.0
59.01254	6.2
66.27810	0.4
69.29417	1.5
69.29840	1.8
69.85073	0.5
71.01244	1.1
71.04900	0.7
72.16765	0.5
85.02806	0.6
89.02334	0.9
96.95883	1.1
97.03707	0.4
97.06446	1.5
101.02327	0.6
108.90169	0.5
113.09599	1.4
119.04948	0.6
120.23642	0.4
120.99551	1.5
121.02798	0.6
123.08070	3.6
125.02276	0.7
127.11243	0.5
137.09642	0.5
139.11182	1.6
141.12746	0.7
145.02907	0.7
153.01765	0.5
157.12234	0.9
169.12276	1.1
171.10141	0.8
171.13841	0.7
185.11761	11.2
186.12000	0.6
213.11252	0.6
214.12018	1.0
215.12860	0.8
228.14452	0.6
268.92328	0.5
327.21777	0.6
343.24796	0.6
355.24991	1.5
371.24316	1.3
373.13126	1.7
373.25928	100.0
374.26251	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88354	0.2
57.27565	0.2
57.33025	0.2
59.01247	1.7
64.01756	0.2
65.01301	0.2
68.66755	0.2
69.99680	0.2
71.01228	0.2
71.52407	0.2
77.65394	0.2
96.95872	0.3
98.56388	0.2
101.05951	1.2
107.22200	0.2
109.08852	0.2
124.07519	0.5
141.15070	0.2
145.30377	0.3
154.99777	0.3
189.10275	0.6
216.99977	0.2
232.10857	10.4
233.11304	0.7
272.17245	0.2
274.15765	0.3
276.09952	0.3
289.17877	1.6
290.18716	2.6
291.19000	0.3
316.16605	2.0
318.18124	0.4
358.21411	0.8
374.24460	100.0
375.24786	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	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.41065	0.4
59.01250	100.0
60.01585	1.1
69.71432	0.7
69.71840	1.7
71.01250	4.0
73.02833	1.4
74.02375	0.8
77.98714	0.4
78.86319	0.3
83.01263	0.7
85.02846	1.6
89.02326	2.7
101.02325	2.3
101.85760	0.4
113.02318	1.5
119.03401	1.3
125.02383	0.6
129.10324	0.4
137.02350	1.2
169.09818	0.5
173.04449	0.8
183.56810	0.4
207.52905	0.5
224.87465	0.4
254.37286	0.4
373.14261	0.4
373.19125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34005	0.2
55.22592	0.3
57.03318	0.3
58.00449	0.3
59.01252	100.0
60.01584	0.9
71.01256	7.8
72.99194	0.6
73.02823	5.7
83.01277	1.4
85.02809	2.3
89.02312	3.6
95.01257	0.5
97.02827	0.4
101.02319	5.5
109.02869	0.6
113.02324	3.7
119.03402	0.8
121.02863	0.7
131.03430	0.7
135.04440	0.4
143.03450	0.6
149.02469	0.3
152.01189	0.4
153.01883	0.3
161.04512	0.7
167.03506	0.5
179.05496	0.6
196.49377	0.3
285.11435	0.6
373.18109	0.4
373.25974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.37074	1.2
57.03307	3.0
58.00461	3.9
59.01250	100.0
70.67470	3.3
71.01254	64.3
72.99175	5.8
73.02814	3.2
75.00739	1.3
77.26867	1.1
78.92796	1.2
83.01256	5.1
85.02827	11.7
87.00749	3.9
89.02312	63.0
90.02689	1.8
94.05347	1.1
95.01241	3.1
99.00760	1.8
101.02315	45.9
113.02323	25.1
119.03386	33.2
121.02802	1.5
125.02327	1.8
131.03401	2.1
133.02777	1.6
135.04367	2.7
139.00276	1.3
143.03453	2.1
147.69640	1.3
149.04422	2.3
151.00351	1.7
161.04507	2.8
163.03830	1.4
179.05522	4.3
193.12218	7.6
285.03943	9.8
293.39963	2.1
311.05334	1.3
331.17413	1.7
373.05566	2.0
373.18631	37.1
373.25998	3.1
374.19037	4.6
383.52554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01251	100.0
60.01592	1.0
69.24847	1.9
69.25275	1.6
71.01247	3.5
72.99155	0.5
73.02821	1.2
73.22138	0.4
73.35520	0.4
74.98977	0.5
83.01262	1.0
85.02830	2.0
89.02328	2.1
95.01279	0.6
97.02792	0.5
98.19711	0.9
101.02346	2.0
109.02863	0.5
113.02341	1.7
119.03438	0.6
121.02812	0.5
124.01581	0.8
125.02360	1.3
135.04446	0.7
136.01643	0.6
137.02362	1.2
139.03900	0.5
151.03906	0.8
153.01860	0.5
161.04478	1.0
167.03448	0.9
169.37645	0.6
285.11349	0.7
299.53619	0.5
302.26859	0.5
309.11444	0.5
311.36404	0.5
373.13211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90394	0.4
55.01749	1.0
58.08618	0.5
59.01244	1.3
62.81078	0.5
65.00188	0.7
68.99680	1.6
70.09683	1.7
71.04891	5.3
77.03818	0.7
79.01764	3.6
81.03340	1.0
83.01276	2.3
85.02821	0.6
93.03319	0.4
94.57375	0.5
95.04899	2.1
95.94046	0.4
97.02827	10.8
98.03152	0.6
103.34990	0.4
105.03316	0.5
106.06481	1.0
113.02325	0.5
115.90401	0.4
121.02830	4.1
123.04393	6.1
125.02307	1.3
137.02390	0.5
138.03098	0.7
139.03905	57.8
140.04245	2.3
149.02415	1.0
151.03902	0.8
161.04465	0.8
163.03943	2.6
165.01842	18.4
165.05469	0.6
166.02409	0.9
167.03404	100.0
168.03738	4.5
168.06604	1.0
181.04993	1.5
183.02873	0.8
191.03427	3.1
193.01331	2.6
209.04366	2.2
246.37529	0.5
249.07574	1.2
301.09222	2.0
329.08746	10.2
330.09116	0.9
349.95276	0.4
355.06726	1.9
373.02423	1.2
373.07675	8.9
374.07870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83238	1.5
57.28112	1.4
58.00458	1.9
58.02828	1.7
58.67817	1.5
59.01231	4.5
59.01501	1.4
60.04414	13.3
60.57000	1.4
70.02857	16.1
70.86880	3.3
71.01257	1.9
72.00774	3.3
73.02791	1.5
86.02355	11.4
88.03915	100.0
100.03922	99.2
101.04265	2.8
104.03373	1.6
253.25287	11.2
254.25830	2.0
269.24918	2.9
276.26843	1.9
281.24911	10.3
283.26474	19.3
284.26764	1.8
295.26447	31.5
296.26620	3.9
306.28009	5.1
308.29492	3.1
312.29126	6.7
322.27615	2.2
336.28998	21.7
340.28473	7.4
344.31729	11.2
354.30066	1.9
372.31195	62.0
373.31268	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	373.0565
Annotation	Melinervin
Peak:m/z	Relative Intensity
59.00994	1.0
59.01250	10.5
65.23809	0.7
69.58482	3.5
71.01235	1.8
73.02818	1.7
83.01242	1.7
85.02824	2.0
87.04367	1.4
91.01744	0.7
93.03465	0.8
97.20886	0.9
98.19846	1.3
101.02347	1.7
107.01219	1.1
108.02044	1.6
109.02855	1.6
124.01573	1.3
125.02246	0.9
127.61820	0.8
135.00737	2.0
135.04404	1.9
136.01575	0.8
147.89354	0.7
150.03131	6.9
151.00256	3.5
151.03893	0.9
153.01826	1.0
161.02318	3.7
162.03142	2.9
163.03935	1.2
176.01054	1.5
177.01849	42.3
178.02536	5.4
184.75166	0.7
193.01286	1.1
204.00557	1.6
205.01358	12.2
210.01649	3.8
243.02907	3.4
259.02438	1.8
267.03122	0.7
269.04605	1.0
271.02533	9.5
272.02905	1.0
285.04102	2.0
286.04855	5.9
295.02484	1.7
296.03223	0.9
297.03912	2.2
300.02820	1.2
312.99850	0.9
313.03537	35.1
314.04297	78.4
315.04639	7.3
329.06662	100.0
330.03305	0.6
330.06982	10.4
331.17783	1.6
355.24686	0.8
373.05392	4.0
373.13147	1.3
373.18686	0.8
373.25952	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	1.7
60.33500	0.7
60.58710	0.7
69.03336	1.3
70.33503	0.7
71.10857	1.3
73.16484	0.7
85.02821	2.3
95.08553	0.7
112.00455	0.8
132.30669	0.9
139.19478	0.8
166.02609	3.1
167.03406	2.6
200.23712	0.9
209.03001	3.3
268.74030	0.8
269.54916	1.0
280.40854	0.9
305.11301	0.9
305.90985	0.8
308.35437	0.9
326.85757	0.9
348.81827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1135
Annotation	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
Peak:m/z	Relative Intensity
51.62215	1.2
57.03323	16.1
59.01248	7.7
63.13124	1.1
65.00207	4.9
68.96415	1.1
69.03328	4.7
69.64572	4.1
69.64983	2.0
71.01247	2.9
81.03326	1.4
83.01244	3.5
85.02833	8.6
89.83288	1.2
93.03326	2.2
95.01266	2.3
97.02825	1.6
98.20518	2.2
103.00305	1.2
106.76702	1.1
108.02037	1.8
109.02853	5.2
109.06458	6.3
111.00763	1.4
119.04924	2.8
121.02840	3.9
123.00786	2.0
123.04408	12.1
124.01550	28.8
125.02318	4.3
125.09616	14.0
133.02859	1.3
133.06480	6.1
135.04436	2.2
137.02348	3.5
139.03929	4.4
145.06386	1.7
146.03593	2.0
147.04433	3.9
149.02362	9.8
149.09656	5.4
150.03171	11.6
151.00262	2.0
151.03937	9.1
151.07549	9.6
152.01062	4.6
152.99483	1.5
159.04422	1.7
160.01596	1.4
161.02351	2.8
163.03874	2.3
165.01888	2.6
165.05487	1.6
166.02594	1.7
170.03654	2.2
173.02312	2.1
174.03023	2.0
175.00288	1.9
175.03925	12.5
175.07533	2.9
176.00974	1.9
177.01857	38.8
178.99750	1.6
185.00909	3.1
185.05812	1.2
187.03853	1.6
188.04732	2.4
189.01813	1.4
189.05490	4.2
191.01866	1.8
191.03479	2.7
191.07008	2.0
193.05017	3.6
193.08640	99.8
194.08998	4.9
199.03938	5.2
201.01840	4.4
203.03436	1.1
203.06947	1.7
205.04950	2.2
205.08643	1.6
209.02953	9.7
212.04837	1.2
214.02731	2.0
215.03404	1.6
216.04297	2.1
217.04910	4.2
218.08945	1.0
219.06560	15.3
220.07138	1.8
221.08119	12.6
228.04207	1.5
229.05133	1.4
230.05798	1.4
240.04236	8.6
243.02899	1.3
247.03728	2.0
247.06094	18.7
248.06303	1.4
249.07640	6.6
256.03760	10.4
257.04239	1.8
258.05530	1.2
267.10208	4.7
284.03250	3.8
285.03796	1.9
285.11310	3.1
290.02542	1.2
299.05612	1.9
309.11328	4.0
327.04919	1.7
327.12381	9.8
327.25256	1.5
343.11856	14.0
344.12079	2.1
353.10291	100.0
354.10559	11.4
371.07413	1.4
371.11359	25.7
371.15021	1.1
371.24307	13.7
372.11688	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1136
Annotation	2,3-Dehydrokievitone hydrate
Peak:m/z	Relative Intensity
53.55465	0.8
54.41586	1.0
57.03313	2.7
59.01240	7.7
69.37412	8.0
71.01256	3.2
75.00765	0.9
85.02820	9.9
89.02354	2.1
91.80556	1.1
93.03322	1.8
98.20635	1.0
101.02312	1.6
108.02071	2.0
109.02831	65.1
110.03186	2.2
119.04929	2.7
121.02847	5.6
121.03642	1.0
123.04443	1.5
125.02325	1.4
129.01740	1.1
131.36043	0.9
131.86479	0.9
135.04369	1.9
136.01556	23.8
137.09593	1.0
145.02858	8.1
146.03682	0.9
147.04407	1.5
149.02342	2.9
151.03917	32.3
151.07527	1.0
152.04266	2.7
158.03644	2.0
159.04422	11.7
160.05203	47.1
161.02461	1.8
161.05780	1.7
163.03955	2.2
164.04683	2.4
165.09146	3.2
167.10735	2.5
174.03163	1.1
175.03897	2.6
175.07561	30.9
176.07916	1.9
177.01808	1.0
189.05347	1.3
191.01891	3.7
191.07147	1.5
209.02946	8.9
209.08057	6.5
209.15477	2.0
211.07579	3.0
221.06129	2.0
221.08142	1.1
223.07550	2.8
233.08154	1.7
239.07098	19.2
240.07498	1.0
249.05553	2.9
250.06337	7.3
251.09288	1.2
266.05911	3.8
267.06601	100.0
268.06970	10.1
276.38022	1.0
281.08170	1.5
282.08963	72.4
283.09265	8.8
297.11304	78.2
298.11661	9.2
312.09970	13.3
327.12354	89.0
328.12631	8.6
353.10315	2.3
360.68283	1.0
371.04059	2.0
371.11252	18.2
371.24371	10.1
372.11823	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	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66550	0.5
55.01759	1.0
57.03328	1.9
58.00472	0.7
59.01247	15.0
63.80735	0.5
67.01758	1.1
68.99673	1.4
69.03313	1.4
71.01250	12.0
71.30235	0.8
72.99176	4.7
73.02816	1.2
75.00741	17.7
77.93034	0.6
81.03341	0.6
83.01244	1.5
83.04868	0.7
85.02819	22.5
86.35136	0.5
87.00741	5.5
89.02319	3.5
91.03872	0.8
93.03336	1.6
95.01266	5.7
99.00752	9.1
103.00230	3.4
111.00770	1.3
111.04419	0.9
112.34495	0.5
113.02325	26.5
114.02631	0.8
115.00254	1.6
117.01838	3.8
121.02838	100.0
122.03179	4.1
129.01833	2.3
139.00206	0.5
142.06473	1.0
157.01324	1.1
175.02393	2.6
189.03925	0.9
191.01891	1.2
199.75291	0.5
209.02962	4.4
223.02441	0.8
231.05046	8.0
249.06123	77.5
250.06453	3.7
311.07611	0.9
353.08780	1.7
371.09802	47.8
372.10095	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	371.1134
Annotation	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
Peak:m/z	Relative Intensity
54.86157	0.5
57.03322	17.8
62.34956	0.4
63.02272	0.9
65.00190	5.3
68.99693	1.3
69.72266	0.5
72.58382	0.5
77.16299	0.5
81.03329	1.2
83.01252	1.7
85.06338	0.5
93.03355	1.9
94.36514	0.5
95.01262	1.5
96.02027	0.5
98.19706	0.9
105.03319	1.1
107.04944	0.9
107.08498	0.6
108.02075	1.5
109.02831	4.8
109.06496	5.2
109.99974	1.4
111.00772	1.5
119.04910	1.4
121.02856	4.1
122.03636	1.8
123.04408	11.6
124.01555	33.4
125.02450	2.3
125.09605	15.7
126.09908	0.7
131.08591	0.8
133.02852	1.3
133.06485	6.8
135.04375	0.8
137.02348	2.2
139.03899	3.8
143.04913	0.6
145.02838	0.9
146.03622	1.5
147.04420	2.7
147.08067	0.6
149.02342	11.5
149.05983	0.9
149.09607	4.4
149.99570	0.7
150.03130	13.8
151.00258	1.2
151.03918	10.1
151.07532	11.9
152.01050	5.5
152.07881	0.5
159.04419	1.8
160.05161	0.6
161.02339	2.4
161.05988	1.4
162.03149	1.4
163.03888	1.3
163.07523	0.6
164.04694	0.6
165.01837	2.7
165.05469	2.0
170.03659	1.4
171.04393	1.4
172.05197	0.9
173.02319	1.2
173.06006	0.5
174.03128	3.3
175.00291	0.5
175.03915	13.5
175.07536	3.2
176.01122	2.4
177.01851	42.2
177.05298	1.2
177.09192	1.0
178.02248	1.8
178.99773	1.6
183.04424	0.6
187.03914	1.9
188.04662	2.7
189.05490	3.4
191.03412	1.9
191.07071	1.1
193.05032	4.8
193.08627	100.0
194.08942	6.2
196.05130	0.6
198.03151	1.4
199.03899	4.6
200.04449	0.6
201.01836	4.5
201.05368	0.6
203.06918	1.4
205.05026	1.4
205.08600	2.4
211.03893	1.1
212.04688	2.1
213.05383	1.5
214.02719	3.2
214.06174	1.2
215.03455	1.8
216.04201	2.3
217.05019	3.4
219.02927	1.5
219.06566	17.1
220.07187	2.7
221.08141	13.2
222.08513	1.0
227.03441	0.8
228.04149	1.0
229.04979	2.2
230.05780	1.7
231.06508	1.6
240.04216	10.3
241.04688	1.3
242.02214	1.1
243.02946	0.8
243.10324	0.9
247.06081	18.6
248.06421	1.0
249.07629	6.4
256.03720	11.3
257.04211	1.2
257.11655	0.8
258.05148	2.4
267.10257	4.2
268.10867	0.7
284.03146	3.5
285.11328	3.2
299.12866	1.4
309.11169	4.0
311.09171	0.6
325.10773	1.5
327.12329	9.4
328.12778	1.5
343.11826	16.3
344.12341	2.4
353.10284	99.3
354.10635	11.6
371.11307	22.8
372.11725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03315	3.8
58.00467	1.2
59.01249	21.3
69.03345	1.0
70.86082	1.8
71.01251	21.9
72.99179	8.2
73.02805	2.5
75.00745	20.8
79.95590	1.3
83.01266	2.2
84.02061	1.0
85.02824	31.7
87.00756	7.6
89.02319	8.2
93.03346	2.1
95.01262	7.2
99.00761	10.8
101.02296	2.0
103.00247	5.4
107.01241	0.9
111.00748	2.1
113.02327	26.7
115.00239	2.7
117.01828	2.7
117.47218	0.9
121.02842	100.0
122.03110	4.8
123.05582	0.8
129.01785	4.7
137.05910	1.0
140.22301	1.0
142.06520	11.1
143.06865	13.8
147.02855	1.4
150.03128	3.9
152.01111	1.3
165.05441	2.1
166.02718	1.2
167.03403	3.2
175.02414	2.8
191.01903	5.2
193.03421	1.9
209.02937	17.1
209.04601	4.0
222.02232	3.5
223.02576	10.0
224.01833	1.5
231.05052	3.0
249.06125	25.7
311.07584	1.2
353.08801	1.2
371.09799	54.5
372.10120	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03331	3.1
59.01247	3.2
68.60605	0.5
70.65180	1.4
71.01264	3.2
72.99167	0.8
75.00729	0.9
83.01218	0.5
84.02042	0.7
85.02819	30.1
86.03125	0.7
89.02312	1.3
103.00218	0.8
111.00748	1.9
115.00288	0.5
118.25325	0.5
129.01822	2.5
133.01331	1.6
135.04385	0.9
140.11098	0.5
147.02873	3.9
168.44598	0.5
173.00838	0.9
179.03378	1.2
191.01898	18.7
206.87100	0.5
209.02962	100.0
210.03273	3.4
250.25369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14785	0.8
55.01753	0.9
57.03316	9.1
59.01248	8.9
68.99699	1.2
70.28229	1.4
71.01244	9.9
72.99163	2.2
73.97137	0.8
75.00737	2.4
83.01277	1.4
84.02022	1.9
85.02817	83.5
86.03166	1.8
87.00739	2.1
89.02322	4.0
103.00227	1.1
111.00743	4.0
129.01828	7.1
133.01317	6.9
134.03607	0.9
135.04390	3.2
147.02910	5.0
150.39668	0.9
172.73924	0.8
173.00841	1.5
179.03384	2.0
191.01894	28.0
192.02200	1.8
209.02956	100.0
210.03250	2.9
263.17700	0.9
302.30820	0.8
383.05258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03046	0.6
57.03326	12.1
58.00454	0.5
59.01248	9.8
68.99687	1.2
69.48650	1.7
71.01253	12.3
72.99181	2.6
73.02802	1.3
75.00751	3.5
78.45605	0.4
83.01252	2.7
84.02039	2.8
85.02823	96.7
86.03161	2.1
87.00734	2.6
88.14541	0.4
89.02314	6.2
91.40098	0.3
93.03311	0.5
97.23508	0.4
99.00741	0.7
101.02324	1.0
103.00238	2.7
111.00764	5.6
115.00251	1.4
129.01822	7.7
133.01318	7.2
134.03621	0.5
135.04413	5.6
135.40857	0.4
147.02881	5.6
147.03928	0.6
149.05948	0.5
154.68871	0.5
161.02348	0.5
173.00815	2.1
179.03410	1.4
183.06424	0.5
191.01900	32.6
191.05499	4.7
192.02310	1.0
209.02965	100.0
210.03281	3.2
314.55466	0.4
371.09656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80239	0.4
58.94117	0.4
59.01250	4.7
62.77454	0.4
70.85902	1.0
71.01228	1.1
81.03338	0.5
83.04895	0.5
86.54928	0.4
89.02318	2.3
91.03883	9.1
98.95093	0.5
99.07979	0.4
100.44843	0.4
113.09585	2.2
142.06438	0.5
169.12132	0.5
170.03889	0.5
179.14261	0.9
195.12030	0.9
195.13835	16.4
196.14157	1.2
199.00665	0.6
218.31161	0.4
220.74669	0.5
277.18137	2.3
277.21674	14.5
278.22089	1.3
295.22763	100.0
296.23120	11.3
308.27643	0.4
369.09830	1.0
369.17410	1.7
369.22556	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.7
60.39735	0.3
62.70863	0.2
64.14697	0.3
71.49569	0.5
79.95600	6.2
79.96032	0.6
85.02843	0.4
96.95866	1.4
103.00249	18.8
104.00567	0.3
116.04932	0.4
124.73860	0.4
128.04892	0.4
130.06415	0.3
142.06522	100.0
143.06862	6.6
158.06036	3.5
168.95949	0.3
186.05615	2.0
204.06590	2.3
209.11217	0.3
222.02246	70.7
223.02547	4.9
238.01775	4.5
239.02043	0.4
246.07729	1.1
266.01279	9.1
267.01550	0.6
283.20590	0.3
284.02298	4.4
326.03333	1.6
352.01282	4.3
370.02350	2.1
371.02942	0.4
386.55807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12299	0.3
55.01753	0.9
57.03319	5.1
59.01246	4.2
61.55778	0.3
68.48492	0.4
68.99684	0.9
69.40850	0.3
71.01250	6.5
71.09641	0.6
72.99173	1.8
73.02798	0.4
75.00741	1.7
78.27541	0.3
83.01256	1.5
84.02036	1.3
85.02822	51.1
86.03150	1.1
87.00735	1.2
89.02316	3.0
101.02314	0.9
103.00227	1.4
105.48824	0.4
111.00751	3.0
115.00285	0.7
129.01828	4.0
133.01331	4.6
135.04410	0.9
145.01328	0.4
147.02910	3.6
173.00842	1.7
179.03436	0.6
189.68324	0.4
191.01895	25.2
192.02229	1.0
196.21164	0.4
209.02968	100.0
210.03328	3.5
214.50211	0.4
232.08725	0.4
371.05972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.228
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
53.91204	0.3
57.03350	0.3
59.01255	2.5
70.15499	0.3
70.27586	0.7
70.27985	0.6
71.01260	0.6
89.02310	0.7
91.03888	2.3
97.26949	0.3
104.87295	0.3
109.06520	0.5
123.04414	0.4
124.94509	0.3
137.05917	0.4
138.06868	0.3
142.06557	0.5
151.07573	1.4
164.08255	0.5
170.05774	4.2
171.06085	0.4
171.10138	3.2
195.13812	1.2
199.00618	0.5
217.15768	0.3
221.15421	0.5
222.02292	0.3
233.19090	1.8
249.18481	0.7
251.20108	2.4
277.18085	100.0
278.18430	10.7
278.21558	0.5
295.19135	51.7
295.22733	17.0
296.19470	6.0
296.23105	2.1
300.92661	0.3
312.50116	0.3
369.22797	71.3
370.23157	9.1
380.84521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00698	0.4
55.01767	0.5
58.04390	0.4
62.86998	0.4
63.81711	0.3
65.00201	2.8
71.10300	0.8
77.03831	2.1
79.01302	0.7
79.01765	9.1
89.02637	0.4
107.04936	0.6
108.02055	0.7
109.02847	2.4
109.06432	0.7
115.26954	0.4
133.06490	9.8
134.03670	2.8
135.04416	100.0
136.01538	1.0
136.04750	3.9
151.03888	0.6
154.68370	0.4
161.02303	2.1
161.09569	0.4
164.01070	3.9
165.09094	2.1
189.09137	7.6
190.02628	1.6
190.09578	0.6
194.68735	0.5
202.89946	0.4
205.08560	1.1
207.10138	3.8
209.18770	0.5
233.08153	62.6
234.08501	4.0
247.09695	0.8
251.09331	0.7
307.13608	0.4
350.93384	0.4
369.13434	18.5
370.13739	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	369.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48744	0.2
59.01245	0.8
59.18427	0.2
61.98687	0.3
65.00191	2.7
67.01728	0.2
71.01240	0.3
71.04897	0.3
77.03832	1.8
79.01759	9.9
80.02093	0.2
82.74126	0.2
85.02808	0.4
89.02319	0.2
93.03336	2.4
95.01258	0.2
95.38308	0.2
98.19816	0.4
101.82990	0.2
107.04932	1.4
108.02055	0.6
109.02841	2.7
109.06464	0.9
112.74176	0.2
117.03345	5.2
119.04905	0.4
121.02847	0.9
133.02856	0.6
133.05478	0.4
133.06487	8.8
134.03633	2.9
134.06766	0.4
135.04408	100.0
136.01550	1.0
136.04735	4.1
136.53891	0.2
137.02359	0.6
138.03113	1.0
142.06531	0.3
145.02872	0.2
145.10109	0.5
149.02316	0.3
149.05969	0.4
150.03065	0.3
151.03928	0.3
159.04347	0.2
161.02332	3.3
161.09583	0.5
162.03001	0.3
164.01042	4.5
165.01788	0.3
165.09114	2.3
166.09395	0.2
173.02367	0.2
173.06044	0.2
177.01746	0.4
177.09195	0.2
189.01878	0.3
189.09132	7.9
190.02661	2.0
190.09468	0.5
191.03394	0.6
193.01376	0.3
205.08662	1.2
207.10193	5.5
208.10487	0.4
219.06610	1.0
222.02255	0.3
231.10158	1.0
233.08142	55.8
234.08498	3.9
247.09785	0.8
251.09213	1.4
259.09668	0.4
261.70200	0.2
275.09302	0.7
285.04074	0.3
300.06558	0.3
330.22897	0.2
351.12323	0.5
369.09644	2.4
369.13477	18.0
369.16879	0.8
370.06207	0.2
370.09995	0.3
370.13831	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	369.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.35724	0.6
59.01241	2.7
59.28286	0.6
60.31070	0.7
61.98706	0.9
65.00207	1.4
70.09299	1.5
70.09686	1.3
71.01233	0.8
71.04894	11.0
77.03831	2.0
79.01759	5.6
81.87725	0.7
85.02837	0.8
87.58287	0.7
89.15121	0.7
93.03329	2.8
95.04900	2.7
97.02841	2.4
98.01360	0.8
98.28032	0.8
101.02296	0.8
107.04910	2.7
109.02804	1.3
109.06451	4.2
117.03355	1.3
119.04897	3.2
121.02831	2.9
123.04433	5.2
124.01592	0.9
125.02309	1.1
131.04942	1.2
133.02844	4.3
133.06471	3.6
134.03622	2.2
135.04404	3.8
137.02315	1.6
138.03125	20.0
139.03851	1.8
139.11179	8.1
145.10121	0.9
147.04515	1.2
149.02356	4.3
150.03107	0.9
151.00258	1.5
151.03926	2.3
151.07582	1.5
161.02350	1.0
162.03061	1.2
163.03960	4.1
163.11195	6.3
164.04683	4.0
165.01895	2.4
165.09140	11.5
166.02628	5.2
168.98787	2.1
171.08105	0.8
175.03926	2.0
177.01714	1.2
177.05498	2.6
179.03395	3.9
180.04172	0.9
187.07590	1.1
189.09157	4.2
190.02699	4.9
191.03433	16.1
191.10616	1.4
192.04036	1.1
193.01399	5.7
203.03412	1.3
203.07054	1.4
205.05011	1.4
205.08444	1.0
207.10194	60.9
208.10532	4.1
213.05458	1.5
215.07054	5.3
217.08617	2.6
219.02937	0.9
219.06525	2.4
229.08719	1.1
233.08142	12.2
234.08867	5.5
235.09688	2.7
244.07317	1.0
247.06071	1.0
247.09703	1.6
252.07881	1.1
256.07483	3.0
261.07666	6.2
269.11765	1.9
271.06113	2.4
281.15460	2.3
283.13342	2.6
295.13443	1.3
296.06900	1.5
297.04172	1.3
297.14972	2.4
323.12872	1.9
325.10895	1.2
325.14404	15.9
326.14877	1.3
341.13904	70.6
342.14316	9.2
351.12369	5.2
369.10004	4.6
369.13416	100.0
369.16922	3.8
370.13831	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	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03160	0.5
57.03324	0.8
59.01241	2.6
62.31532	0.4
69.03339	0.7
71.01248	1.6
71.52757	0.6
72.99158	0.7
73.02814	0.7
75.20496	0.5
75.82402	0.4
79.01773	0.5
79.93681	0.4
85.02833	3.6
87.00751	0.5
87.04380	0.7
96.95900	0.5
98.30521	0.5
99.00783	0.6
103.01717	0.6
107.32891	0.4
117.03347	17.9
118.03687	0.5
119.04926	3.3
121.02817	0.6
131.01276	3.2
133.02811	1.8
135.04382	1.2
137.02344	0.6
142.06497	1.6
143.03479	0.4
149.02341	0.6
161.02332	1.3
163.03912	1.8
173.02379	5.9
175.00294	9.9
176.00644	0.9
177.01825	1.9
181.04607	0.5
189.05515	0.5
191.01904	0.7
193.01381	2.3
213.05455	2.7
215.03479	3.3
216.51563	0.4
222.02278	0.6
233.04521	1.3
237.05466	0.7
249.05463	1.1
252.04156	0.4
265.05066	2.0
268.03745	1.6
269.04318	0.6
280.03812	0.5
282.05246	1.6
283.06308	2.2
285.04028	0.6
293.04556	50.7
294.04959	4.0
297.03937	0.8
308.03119	1.3
311.05627	2.8
323.09177	1.1
333.07626	6.5
335.05685	0.7
351.08737	22.1
352.08994	3.1
369.09744	100.0
370.10034	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.9
59.01248	1.7
60.00929	0.4
69.03326	100.0
69.66109	2.4
70.03669	1.9
70.77273	0.4
71.01255	1.8
72.99199	2.2
79.01750	2.0
85.02824	3.7
95.01258	2.7
97.02828	18.1
98.03155	0.6
99.00758	24.4
100.01084	1.0
111.00790	0.5
113.02361	1.0
117.59525	0.4
123.00776	1.6
133.02888	1.2
135.04448	1.1
140.81383	0.4
141.01836	8.2
142.06529	1.8
151.79442	0.5
161.02367	2.0
179.06949	0.4
181.85422	0.4
183.10223	0.8
185.00851	44.6
186.01225	1.9
190.02599	0.7
191.01784	0.7
195.06520	0.4
203.19724	0.5
209.02971	0.8
222.02292	1.3
245.44337	0.4
287.09332	0.6
297.04175	0.6
369.11887	9.4
369.16159	0.5
370.12299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	0.9
69.93562	1.3
77.03846	1.1
79.01759	1.8
87.99632	0.3
89.03832	0.4
89.37276	0.3
93.03325	0.6
97.02819	0.5
109.02889	1.7
116.75004	0.3
119.04881	0.7
121.02839	2.4
132.02051	0.8
133.02855	11.6
134.03641	3.8
135.00752	1.1
135.04410	3.2
136.01541	1.2
137.02356	0.8
145.02817	0.6
147.07849	0.3
161.02338	2.3
162.03145	0.7
163.00266	5.0
163.03871	1.5
164.01027	0.5
165.01822	4.7
168.80341	0.3
174.03127	0.5
175.03961	1.8
176.01125	0.6
177.01855	0.8
185.06032	0.3
187.03951	0.4
189.01823	0.6
197.05943	0.8
198.03185	0.6
199.03914	1.5
200.04446	0.3
201.01866	1.4
201.05447	0.4
202.02507	0.5
211.03886	0.6
213.05507	1.2
214.06200	0.7
215.03439	0.5
217.04890	0.4
219.06625	0.4
225.05542	1.7
226.06133	0.6
227.03429	1.4
228.04060	0.4
229.04970	0.9
233.04460	1.1
239.03391	0.4
240.04091	0.6
241.05009	3.1
242.05704	0.8
253.05019	1.9
254.12680	0.3
255.02982	1.1
256.03641	0.6
269.04483	4.4
270.05258	2.4
271.06104	0.4
281.04532	1.0
297.04028	20.7
298.04807	69.5
299.05542	38.6
300.05887	2.9
330.03879	3.9
336.06201	0.5
351.08701	5.8
351.12793	0.6
352.08899	0.6
356.04483	0.4
356.25851	0.4
369.09763	100.0
370.10095	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0978
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
55.90379	0.3
59.01249	0.7
65.00194	1.4
68.99703	0.4
69.43957	2.3
71.01250	0.5
71.07124	0.3
85.02821	0.8
87.04379	0.4
87.99635	0.3
91.01748	0.5
91.41514	0.3
93.03348	0.4
98.19801	0.7
102.60914	0.4
107.01248	0.4
109.02812	0.8
111.00791	0.5
117.03336	8.2
119.04881	0.4
129.30670	0.3
131.01335	0.4
132.02089	0.5
133.02834	6.2
135.00766	1.9
135.04346	0.6
136.01535	0.4
142.06499	1.4
149.02333	5.6
149.05966	0.5
151.00240	1.3
159.04443	1.6
161.02348	1.1
163.00261	1.4
175.00276	2.5
175.03984	0.5
176.98218	1.2
177.01851	9.0
178.02208	0.5
178.99776	4.9
181.06564	0.4
183.04437	1.1
185.02330	1.1
188.01070	0.5
193.01224	0.4
201.05522	0.8
205.04982	0.4
211.03925	0.5
222.02296	0.6
223.04063	0.4
225.05608	1.3
227.03563	1.6
229.04932	1.2
231.06529	1.1
251.03528	1.2
253.05133	0.4
256.03735	0.5
267.02939	0.4
268.03687	0.8
269.04517	9.3
270.04865	0.7
281.04404	1.5
282.05283	0.8
284.03275	3.5
285.03690	0.5
293.04330	0.4
295.02457	13.4
296.02802	0.9
297.04022	55.2
298.04456	6.1
308.03375	1.8
309.00659	0.6
309.03961	3.6
310.04849	0.5
323.09274	0.6
330.03824	0.7
337.07217	0.6
339.08746	4.3
340.09109	0.6
341.50891	0.3
351.08719	5.5
352.08984	0.9
369.09747	100.0
370.10068	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	369.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
65.00187	0.5
71.01257	0.2
71.52196	0.3
73.02806	0.3
85.02840	0.5
86.30610	0.2
93.03337	0.2
95.01259	0.2
109.02755	0.2
113.02386	0.3
117.03354	0.9
119.01321	0.3
121.02839	0.3
132.02090	0.3
133.02853	14.1
134.03162	0.4
135.00816	1.0
135.04417	0.2
137.02286	0.2
142.06558	0.3
143.04924	0.2
149.02248	0.2
161.02361	7.6
162.02725	0.3
163.00288	12.1
166.04085	0.2
168.96202	0.2
174.46443	0.3
175.03922	0.9
181.06406	0.2
183.04446	0.3
187.03955	0.8
187.07703	0.3
193.01390	0.3
197.06024	0.5
198.03099	0.3
199.03911	0.6
201.01866	1.2
201.05562	0.3
211.03952	0.8
213.05466	0.3
216.54787	0.2
216.59964	0.2
224.04675	0.4
225.05539	3.1
226.02614	0.5
226.05933	0.3
227.03430	2.2
228.34178	0.2
229.05006	0.6
235.03935	0.3
241.05051	1.3
248.08670	0.2
251.03474	0.9
253.05025	3.9
254.05316	0.4
255.03015	4.0
256.03522	0.5
268.03775	0.2
269.04553	4.2
270.05011	0.6
279.02945	0.5
284.03070	0.2
297.04037	57.4
298.04553	9.4
299.05502	2.0
308.03311	0.3
311.05701	0.6
311.09335	0.3
351.08847	1.6
369.09775	100.0
370.10107	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	369.0978
Annotation	Shuterone A
Peak:m/z	Relative Intensity
59.01237	2.7
65.00182	3.0
68.99673	5.1
69.81288	2.8
69.81667	2.8
71.01234	1.5
72.34203	1.1
78.24951	1.3
79.05376	3.7
81.06941	2.0
83.01241	3.3
85.02800	2.6
93.03320	3.6
97.96635	1.2
105.06943	8.6
107.04910	20.4
109.02789	3.1
109.99986	3.2
111.00733	1.8
119.04914	5.9
121.02832	4.3
123.03649	1.3
123.04415	12.3
123.08003	4.2
131.04909	7.0
133.02798	2.1
133.06433	2.8
135.04372	4.6
139.03900	3.5
142.06473	3.8
145.02734	2.2
145.06451	2.4
147.04396	4.9
147.08055	34.2
148.08340	2.9
149.02342	10.4
149.05995	24.4
149.99477	1.3
150.03140	6.6
151.00270	1.7
151.03868	6.8
157.06363	1.4
159.04445	1.3
161.02315	3.0
161.05888	1.6
163.00275	2.9
163.03825	2.5
165.05447	2.0
173.02365	2.0
173.05998	6.1
174.03098	2.5
175.00308	2.5
175.02534	1.8
175.03935	29.2
177.01837	24.8
178.02318	1.6
187.03828	1.5
189.05518	7.9
190.06194	6.0
191.03407	3.5
191.07060	100.0
192.07343	4.9
193.01367	2.2
193.04987	3.4
199.03891	5.0
201.01875	14.5
203.03468	2.0
217.04991	22.6
218.05746	10.9
219.02933	2.7
219.06535	15.0
220.07117	1.5
222.02090	2.0
233.08150	1.6
237.09384	1.5
241.08664	1.5
242.05783	1.5
245.04497	11.0
246.05089	5.4
247.06009	12.3
249.07732	2.2
253.08131	1.2
265.08557	2.9
271.06143	1.4
279.10162	1.3
297.03937	1.4
299.05566	1.3
307.09613	5.8
313.17831	1.6
323.09103	1.8
325.10641	5.7
341.06235	2.1
341.10248	37.2
342.10458	4.3
351.08731	92.7
352.09058	12.5
369.05191	2.7
369.09607	42.9
369.13196	4.2
369.17380	3.4
370.10010	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	369.0977
Annotation	Lupinol C
Peak:m/z	Relative Intensity
57.03307	2.2
59.01242	2.4
63.02246	1.3
65.00188	4.8
65.62692	0.8
66.18324	0.9
68.99671	2.3
69.80382	1.5
69.80773	1.9
79.01764	1.2
85.02769	1.1
89.02264	0.8
92.54012	0.8
93.03324	16.5
95.01251	1.7
95.04881	1.4
105.06960	1.9
107.04906	5.6
108.02061	1.5
109.02803	3.0
109.06461	2.2
112.12626	0.8
119.04906	36.9
120.05244	1.7
121.02839	18.0
121.60854	0.8
122.03114	1.0
123.04399	4.8
123.08060	0.8
124.01518	4.2
125.09597	2.2
129.07004	1.4
131.04875	2.9
131.55801	0.8
133.02818	3.0
133.06499	6.8
135.00726	0.8
135.04425	7.9
137.02371	4.7
139.03865	2.6
142.06477	1.0
145.02800	2.5
147.00702	0.9
147.04419	4.3
147.08040	4.6
148.01619	0.9
149.02347	8.8
149.05977	4.6
149.09633	1.9
150.03113	1.3
151.00255	1.3
151.03902	3.3
151.07491	4.8
159.04378	3.8
161.02322	2.5
162.03017	0.9
163.00208	1.3
163.03856	3.3
163.07481	1.2
165.01773	1.9
172.05109	1.1
173.05920	2.7
174.03099	1.4
175.03897	2.5
175.07513	3.8
176.01013	3.1
177.01883	6.7
183.01093	1.1
187.03947	2.4
187.91786	0.8
189.05463	2.7
190.06212	1.4
191.03397	6.0
191.07065	15.2
191.08786	0.7
193.08612	7.3
199.00685	1.0
199.03870	1.8
201.01714	1.5
203.07019	1.2
205.04962	1.4
212.04683	1.1
214.02568	1.1
215.03409	3.3
216.03874	1.0
217.04980	9.1
218.05673	2.3
219.06560	20.6
220.07054	2.2
222.02003	1.2
224.04893	1.0
225.05492	1.0
226.02562	1.4
227.03278	1.3
227.10580	1.1
228.04176	1.9
233.08061	1.5
240.04192	1.0
244.03618	0.9
245.04572	1.4
245.08134	1.0
247.06116	5.6
249.05310	1.5
249.07646	14.8
251.03351	1.0
251.10654	1.2
253.05005	0.9
255.10234	1.8
263.06915	0.9
265.08630	1.1
267.10144	1.1
279.06451	1.2
279.10159	2.5
283.09808	1.8
295.09677	3.8
297.11368	2.2
307.09778	1.4
313.10867	2.1
323.09229	4.9
324.09644	1.0
325.10776	2.2
341.10251	26.7
342.10568	2.3
351.08606	3.7
369.09641	100.0
369.13531	13.5
370.09946	13.2
370.13852	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	369.0978
Annotation	8-Hydroxygalangin 7-methyl ether 8-butyrate
Peak:m/z	Relative Intensity
52.68682	0.5
59.01241	1.9
63.96756	0.5
65.00188	0.8
65.05352	0.5
67.95875	0.6
71.01250	0.8
77.03843	1.7
85.02828	1.6
93.03336	3.5
105.09233	0.5
108.02030	0.8
109.02917	0.6
121.02831	3.6
123.04423	2.6
131.04921	0.7
133.02837	1.6
133.06514	1.8
136.01653	0.6
137.02470	0.6
142.06525	1.0
143.04985	0.6
145.02832	0.7
147.08080	0.8
149.02328	6.8
157.06389	0.6
159.04459	1.4
161.02367	1.6
171.88606	0.5
175.07454	0.8
176.01074	0.9
177.01823	2.7
185.06010	0.7
187.03923	1.1
193.01347	1.0
197.06020	1.7
199.03825	0.6
199.07591	1.5
201.05742	0.6
209.06303	0.7
213.05486	0.7
215.03604	0.6
219.06610	2.3
225.05594	3.1
225.07491	0.5
227.07021	0.9
239.03432	0.7
240.04128	0.7
241.05019	31.8
242.05432	2.8
243.06628	5.0
251.03433	0.7
253.05090	1.4
255.02931	0.7
256.11743	0.5
269.04547	34.0
270.05173	4.8
271.06128	1.9
281.04562	1.0
297.03970	2.1
298.04831	8.6
299.05606	38.1
300.05969	4.3
330.03909	4.0
351.08801	8.1
352.09219	0.7
367.08337	0.8
369.09778	100.0
370.10132	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
58.47101	0.9
59.01250	2.9
60.99176	1.9
61.98704	5.0
67.01765	4.3
69.03303	1.6
71.01254	2.7
79.95621	1.0
81.03351	1.0
85.02813	14.6
85.15446	0.8
87.00749	8.7
87.54621	0.9
90.11777	0.9
93.03331	32.5
94.03661	1.5
103.00259	3.4
104.50108	0.9
105.03365	1.6
109.02847	2.7
111.00757	1.6
111.04425	4.3
112.24552	1.0
122.03590	1.5
123.04414	39.5
127.03941	2.7
129.01814	2.4
133.02840	11.5
137.02333	1.1
139.03902	1.1
142.06522	16.8
149.02345	1.3
151.03937	2.9
155.03354	1.3
171.02856	1.0
173.04463	28.6
174.04915	0.9
177.01831	6.1
178.02205	1.0
191.05540	100.0
192.05864	5.1
194.63335	0.9
195.02907	13.9
197.00819	1.1
206.02130	1.0
215.05530	1.0
222.02213	10.6
223.04558	1.9
224.25772	0.9
238.01755	1.9
266.01349	1.8
284.02676	1.0
351.07162	1.9
369.08185	20.5
370.08420	1.1
394.67896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09224	0.2
63.02271	1.6
65.00191	6.0
67.01743	0.4
67.11485	0.2
68.99684	0.5
70.72527	0.3
70.72837	0.3
79.05354	0.2
93.03343	3.3
104.02509	0.3
105.06948	0.4
107.04893	0.6
108.02061	0.3
109.02833	5.6
109.06464	2.3
110.03180	0.3
114.42379	0.2
119.04905	0.3
121.02842	12.4
122.03182	0.6
124.01550	0.2
129.07008	0.5
131.04970	0.2
131.08543	1.6
132.02037	0.3
133.02904	0.3
133.06487	13.9
134.06821	0.7
135.04373	0.3
136.01480	0.4
137.02325	0.5
139.03883	1.4
145.02879	0.2
147.04457	0.2
147.08057	1.1
148.01555	0.6
149.02341	2.7
149.05980	0.9
149.99458	0.3
150.24380	0.2
151.00223	0.3
151.07544	4.6
152.00981	0.2
152.07915	0.3
158.51523	0.2
159.04433	0.4
160.05194	0.3
161.02338	0.9
163.00261	0.7
165.01915	0.2
172.05197	0.3
173.02415	0.3
173.05937	0.4
174.03178	0.3
175.00244	0.6
175.07555	5.1
176.01053	4.5
176.07855	0.4
177.01851	1.4
184.05133	0.2
185.06009	0.4
187.03902	0.5
187.07523	0.2
189.01752	0.5
191.07069	2.6
193.08566	0.4
203.03488	0.3
203.07072	0.5
211.03937	0.3
212.04700	0.5
213.05496	0.5
214.06195	0.3
215.03299	0.3
217.01312	0.8
217.05014	0.4
219.06570	30.9
220.06926	2.0
224.04684	0.4
225.05481	0.5
226.06317	0.2
227.03474	0.4
228.04172	0.4
229.04958	0.3
231.06503	1.6
232.07201	0.2
237.07658	0.8
239.03511	0.5
240.04224	1.4
241.04984	1.2
242.02164	0.5
243.02873	0.3
247.06076	5.7
248.06581	0.6
251.03345	0.3
252.04329	0.5
253.05035	0.9
254.05653	0.4
255.03049	0.5
256.03677	0.8
257.04501	4.1
258.05084	0.5
261.07718	0.4
267.03033	0.4
268.03870	1.0
269.04517	2.3
269.11673	0.3
270.04797	0.3
271.02475	0.3
279.03000	0.7
279.10223	0.2
280.03619	0.5
281.04520	1.1
282.05151	0.4
283.02512	0.3
285.04019	7.5
286.04575	1.0
295.02524	0.3
295.09763	0.8
296.03055	0.3
297.04080	2.1
297.07449	0.4
297.11240	0.5
298.04669	0.6
308.03271	0.8
308.06567	0.2
309.07629	0.4
313.10724	1.3
314.04279	1.0
323.09274	1.2
325.03482	2.1
325.07202	1.1
325.10513	0.3
341.10263	1.0
346.03323	0.3
351.08719	0.4
353.06543	0.3
354.07370	0.3
367.08365	0.3
369.09750	100.0
370.10104	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
55.62496	1.2
62.51836	1.1
69.87514	4.0
76.47053	1.3
89.00607	1.2
115.56236	1.4
133.06465	9.6
143.26431	1.5
149.09627	78.9
150.09952	2.6
205.15924	49.4
206.16270	3.6
295.17105	3.0
367.26419	100.0
368.26819	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	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35097	1.5
61.98704	100.0
63.20225	1.5
70.90966	1.8
70.91302	2.0
71.01264	2.9
78.83346	1.4
83.76393	1.5
85.02829	4.8
93.03354	4.8
122.03639	3.9
123.04424	5.0
125.02341	2.5
132.83940	1.3
137.02338	2.9
147.50060	1.6
152.17746	1.6
173.04507	4.8
177.01863	3.0
191.05537	18.5
194.02002	1.8
195.02940	2.7
267.30704	1.6
305.06766	2.1
369.08084	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44134	0.3
55.01741	0.4
67.92992	0.4
70.54153	0.5
70.54488	0.7
72.63123	0.3
77.03852	0.7
79.01755	1.5
90.98074	0.4
109.02813	0.6
115.52122	0.4
132.02016	0.9
133.02840	24.5
133.06470	0.8
134.03206	0.6
135.04459	0.6
149.02371	0.6
165.09067	0.8
175.03906	2.6
177.01866	1.9
184.88245	0.4
189.01880	0.6
189.09160	0.6
190.02615	0.8
201.01855	0.9
203.10713	0.6
213.05434	0.7
225.05370	0.5
231.10181	0.5
233.08131	2.3
239.07143	0.8
241.04945	0.7
253.05086	0.6
267.02975	0.4
267.06546	1.3
283.06088	1.8
293.78458	0.4
295.05856	0.5
297.04092	0.6
298.04810	1.2
309.03873	0.4
311.05585	13.2
312.06134	2.6
320.71307	0.4
323.05597	12.5
324.06097	3.4
337.07135	0.6
365.10394	0.7
367.11829	100.0
368.12131	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	367.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.3
61.98690	0.3
62.83875	0.3
67.97241	0.3
70.72665	0.9
71.01261	0.5
77.03846	0.3
79.01781	1.5
84.62331	0.3
93.03325	0.5
101.02255	0.4
107.04902	1.5
108.01987	0.4
109.02823	0.9
110.45044	0.3
117.03329	0.4
121.02836	0.8
122.03647	0.4
131.04930	0.4
132.02092	0.3
133.02855	7.7
133.06482	0.6
134.03676	2.0
135.04414	13.0
136.04756	0.9
145.02849	0.7
149.02400	1.9
150.03111	0.7
151.03929	0.4
159.04401	0.3
161.02377	0.9
162.03149	0.6
163.03880	0.7
165.09158	0.6
173.02344	0.4
173.05931	0.5
175.03949	1.5
177.01857	3.6
177.09119	0.5
178.02660	0.4
187.03853	0.4
187.07594	0.6
189.01866	2.4
189.09134	0.7
190.02589	1.3
191.03363	0.3
201.01802	0.8
203.03520	1.5
209.06030	0.4
213.05428	0.7
215.03456	0.8
217.05032	0.8
221.06419	0.3
223.07558	0.6
223.66389	0.3
225.05484	0.8
227.03462	0.3
231.06607	0.7
233.08153	1.3
237.05600	0.4
239.07162	1.2
241.05043	0.5
243.06723	0.4
251.07137	1.1
253.04991	0.8
254.05580	0.4
255.06552	0.6
256.06854	0.4
265.05090	0.4
267.06635	1.7
267.09311	0.3
268.07382	0.4
269.04501	0.4
277.04956	0.4
279.06635	1.0
281.04630	1.1
283.06137	1.0
295.06219	1.4
296.06821	0.8
297.04141	0.4
298.04898	1.6
307.10385	0.6
309.04233	0.4
311.05600	6.3
312.06253	3.2
323.05591	16.2
324.06241	5.8
325.06903	1.0
337.07181	1.2
339.08759	0.5
339.12494	1.0
344.05487	0.3
351.08646	0.8
352.09509	1.4
365.10403	0.4
367.11850	100.0
368.12186	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	367.1182
Annotation	curcumin
Peak:m/z	Relative Intensity
57.03331	0.5
58.08011	0.3
59.01252	1.4
60.85329	0.3
71.52513	0.2
71.52972	0.3
79.01762	4.5
79.05401	0.4
103.05427	0.4
107.04894	2.2
109.02825	1.1
112.80997	0.3
113.09606	2.1
117.03289	0.3
119.08550	0.8
124.41202	0.3
131.04932	1.5
133.02818	0.3
134.03635	2.3
135.04408	100.0
136.04727	4.8
143.08537	1.2
144.08937	0.3
145.06471	1.0
156.17615	0.3
159.08012	0.5
161.02324	0.6
161.09583	0.3
163.07549	2.7
171.04396	0.4
172.05203	1.1
175.03888	0.4
185.05983	0.4
185.56639	0.3
187.07573	6.6
188.07948	0.4
189.05472	1.1
195.13779	0.4
205.08545	1.4
231.06577	36.8
232.06870	2.7
245.08105	0.6
293.21207	11.3
294.21570	1.0
345.29895	0.3
349.10849	0.4
367.11829	23.5
368.12189	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	367.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.5
65.00198	0.9
70.58184	1.4
83.16241	0.6
85.02835	0.8
93.03310	3.4
106.73080	0.6
107.04922	0.6
117.03342	9.5
118.03693	0.9
119.04916	14.0
120.05213	0.8
121.02847	1.1
131.04936	1.2
135.04399	0.8
139.97336	0.6
143.45079	0.6
147.04422	1.8
149.02287	3.0
165.05385	0.8
173.06024	1.0
175.03918	18.3
176.04298	0.8
177.01851	11.3
183.01138	0.8
185.02357	1.1
185.05965	0.9
199.04257	0.7
216.96936	0.6
217.04926	1.4
223.07661	1.1
229.05017	12.1
230.05302	1.1
243.06619	0.9
247.06071	5.5
251.07173	0.9
261.07895	0.8
267.06598	0.9
293.21176	4.2
295.06097	56.3
296.06589	9.7
309.07559	0.9
325.53201	0.7
339.08487	1.3
349.10791	1.9
367.08383	5.1
367.11868	100.0
368.08020	1.2
368.12177	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	367.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95597	0.5
59.01247	3.8
59.33573	0.5
65.00166	0.8
69.93949	0.5
77.03836	0.6
79.01769	2.7
83.04865	0.6
87.23489	0.6
90.32181	0.6
93.03326	0.6
96.95889	0.6
109.06474	0.6
119.04915	0.6
121.02837	1.6
121.93633	0.6
131.04916	0.6
133.02841	25.9
133.06505	0.9
134.03212	0.7
135.04384	1.4
145.02834	0.6
149.02310	1.4
149.05914	0.9
162.03105	0.7
165.09206	0.9
173.05984	1.0
175.03952	4.2
177.01852	3.1
187.07603	0.6
189.01831	1.1
190.02609	1.0
201.01917	1.2
217.05043	1.9
221.15425	0.8
233.08138	2.0
239.07071	1.3
241.05087	1.1
265.05029	0.7
269.04507	0.6
283.06125	1.5
285.30869	0.6
293.21176	1.5
297.04068	0.7
298.04770	1.3
307.10388	1.0
311.05600	11.3
312.06204	2.3
323.05612	11.7
324.06155	3.8
339.08685	0.9
367.08401	4.5
367.11868	100.0
368.07898	0.9
368.12201	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	367.1181
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
54.40754	0.5
59.01248	3.5
61.98689	0.8
64.10855	0.5
72.48817	0.5
75.73021	0.5
79.01772	0.9
85.34441	0.5
93.03333	0.9
96.95861	3.1
98.19797	1.8
100.73428	0.5
102.55334	0.5
107.04947	0.5
117.03342	16.7
118.03708	1.0
119.04883	1.3
121.02843	1.3
123.04473	0.6
123.55103	0.6
128.41693	0.6
131.04971	0.7
133.02838	1.3
147.04404	2.3
149.02289	0.7
149.06018	1.2
161.05960	1.5
163.03937	0.9
175.03903	1.5
177.01862	1.2
183.01193	0.8
189.05498	6.2
191.03391	3.5
217.04985	2.6
229.98112	0.7
249.07706	2.3
265.08621	0.9
295.02942	0.8
295.06079	3.1
296.06876	1.4
304.12540	0.7
307.06198	5.5
307.09814	1.1
308.06799	1.7
309.07654	13.2
310.08008	1.4
333.07620	0.6
339.08649	1.4
349.10709	2.6
367.08200	8.3
367.11893	100.0
368.08493	1.1
368.12219	13.8
371.85602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03324	11.6
59.01239	7.1
69.07834	1.5
70.30583	1.6
71.01251	6.7
71.32480	1.9
71.32824	2.5
71.94347	1.4
72.99190	5.4
77.27809	1.5
83.01247	1.9
84.02035	1.6
85.02824	100.0
86.03181	3.1
93.03351	3.3
103.00306	1.5
111.00751	4.9
115.87929	1.5
121.02834	2.6
129.01808	12.4
132.02049	2.7
134.03639	16.2
137.02356	3.0
147.02885	45.0
149.02336	3.1
149.05984	2.4
160.01569	12.8
163.03947	1.7
173.00905	2.3
175.03902	19.7
191.05502	3.4
193.05016	10.2
203.89084	1.6
297.50287	1.8
323.07828	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	367.0822
Annotation	Velloquercetin
Peak:m/z	Relative Intensity
51.01501	0.6
59.01250	2.7
61.74725	0.5
61.75052	0.6
62.71482	0.5
65.00190	6.3
71.01235	0.6
75.15088	0.5
75.36715	0.6
78.47612	0.5
79.05396	0.7
92.73359	0.5
93.03339	5.2
98.19849	1.6
103.05379	1.7
105.06947	2.2
107.04900	7.2
109.02792	1.4
117.26470	0.5
119.01199	0.6
119.04883	0.9
121.02842	26.5
122.03160	0.9
129.06981	3.4
130.04198	0.6
131.04926	9.0
133.02849	2.6
139.03905	4.6
145.06409	1.0
149.02365	5.0
149.04863	1.0
149.05981	15.9
150.06306	1.0
158.03645	1.0
159.04312	0.8
161.02367	1.1
163.00322	0.6
163.03758	0.6
172.05159	1.0
173.05986	17.0
174.06348	0.8
175.00226	1.2
175.03918	3.7
187.03943	0.8
189.05461	1.4
191.71935	0.6
198.74942	0.5
203.03482	0.6
211.03995	0.7
217.05009	67.7
218.05342	4.4
230.05962	0.8
243.77858	0.6
245.04530	9.0
267.02945	0.9
268.03656	0.7
269.04413	0.8
281.04431	1.1
283.02554	0.6
292.19925	0.9
295.09549	1.0
297.03879	3.4
307.10239	1.1
309.04053	12.2
309.07455	0.6
310.04138	0.8
311.09058	0.8
324.09900	1.1
339.08533	1.7
352.09412	3.3
367.08099	100.0
367.11981	13.9
368.08429	9.6
368.12354	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52990	0.9
54.76906	0.9
59.01250	7.3
71.04888	17.9
83.04874	1.0
96.95860	1.3
97.06473	3.2
104.51946	1.0
111.08002	1.1
133.02850	3.4
135.04411	4.3
181.12263	1.5
187.07567	1.7
195.13844	1.6
201.06277	1.0
207.13826	1.8
213.05531	1.1
219.13940	2.3
235.17027	2.4
273.18536	1.2
291.19662	100.0
292.20071	9.4
309.04288	2.4
309.07822	1.2
310.05185	1.3
316.56076	1.2
365.10297	50.3
366.10553	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01240	2.2
64.67213	0.5
70.10246	1.2
70.10640	1.1
72.99195	0.5
85.06454	2.5
98.20462	0.8
101.02317	0.7
172.32851	0.6
192.63277	0.6
199.13298	1.1
219.17471	2.5
261.18573	1.0
279.19656	17.3
280.19986	1.6
347.25830	7.3
348.26135	1.1
363.25162	0.7
365.26944	100.0
366.27255	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	366.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18217	0.4
55.01743	0.5
55.46952	0.3
57.03321	0.6
58.00467	0.6
59.01252	16.9
66.42602	0.5
68.99697	0.4
71.01254	11.8
72.99174	4.0
73.02836	1.3
73.95863	0.4
75.00751	4.5
82.92896	0.4
83.01250	1.3
85.02822	4.0
87.00742	2.6
89.02309	7.3
95.01252	1.2
96.95879	0.6
101.02315	6.0
101.05957	3.9
102.02676	0.6
102.06306	2.1
104.59731	0.4
111.00774	0.5
113.02348	4.1
115.18059	0.4
116.04945	9.0
119.03399	2.2
128.04933	2.0
130.06525	2.2
132.04491	0.6
138.17769	0.5
140.04968	0.6
142.06525	100.0
143.06874	6.1
144.04442	0.5
149.64870	0.5
158.06032	10.8
159.06445	1.0
161.04468	0.5
161.12019	0.4
161.66489	0.4
186.05527	52.3
187.05873	3.6
195.49561	0.4
204.06599	31.5
205.06981	2.3
218.08133	0.6
219.03357	0.4
237.06133	0.9
246.07645	3.1
366.11887	80.2
367.12177	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01567	0.6
60.58027	0.4
64.99940	0.5
69.58992	3.2
69.59384	0.9
71.01254	0.6
78.95787	1.1
96.95899	1.1
107.62917	0.5
109.02839	0.6
133.79117	0.5
152.99519	0.7
168.52898	0.5
226.62428	0.5
365.16296	0.6
365.20276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	29.9
60.46843	1.4
61.84875	1.2
69.03300	1.4
71.01258	12.2
71.53298	1.5
72.99197	1.9
73.02809	1.7
85.02800	3.8
87.00745	2.0
89.02305	8.3
101.02332	8.2
113.02332	6.0
119.03370	6.2
127.11180	3.2
155.10753	1.4
157.12257	12.3
161.04497	1.5
185.11839	2.1
187.13304	1.5
199.13316	1.9
203.10960	2.3
203.12819	33.5
279.23428	1.3
365.18124	100.0
366.06189	2.2
366.18607	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54727	0.8
57.03326	0.8
59.01251	6.5
59.60847	0.7
60.83606	0.9
71.01241	1.0
79.95571	0.7
85.02869	0.8
89.02283	0.8
96.95885	3.7
97.03694	0.9
97.06478	1.1
98.19753	1.8
102.66701	0.7
111.08080	0.8
121.10123	10.4
122.91582	0.8
123.08064	1.1
125.09606	5.5
127.71354	0.7
147.08102	1.9
154.15469	0.8
185.11772	12.1
197.11790	3.1
211.13293	1.4
273.18643	2.3
291.19669	100.0
292.20007	10.4
297.64294	0.8
365.10297	1.7
365.19815	2.3
365.23376	2.2
365.27261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93313	0.5
57.03312	0.7
58.07040	0.5
59.01251	7.8
64.25874	0.5
71.01248	0.6
71.04890	17.7
83.04891	1.1
89.02320	0.7
91.03876	0.7
96.95861	1.1
97.06464	7.6
98.20667	1.0
123.08026	0.5
126.49963	0.5
147.88510	0.5
163.14764	0.6
181.12303	1.4
187.90811	0.5
195.13803	0.7
207.13846	2.7
217.15843	0.7
219.13829	3.0
235.16994	3.5
239.64429	0.5
247.20601	1.2
273.18567	1.3
291.19650	100.0
292.19980	11.0
305.21475	0.6
365.23517	2.2
366.23276	0.8
374.54980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03318	2.7
58.00451	0.9
59.01250	13.0
61.98697	1.6
67.01761	0.5
68.99674	1.0
69.03281	0.5
71.01252	13.3
72.99184	4.5
73.02824	1.3
75.00745	15.4
83.01280	0.8
84.38698	0.4
85.02822	14.7
87.00746	5.8
89.02312	3.0
95.01259	3.8
96.77966	0.4
97.02866	0.4
99.00759	7.9
101.02335	0.7
103.00252	2.0
109.02906	0.4
111.00785	0.6
113.02332	21.8
115.00259	1.5
115.07534	100.0
116.07886	3.9
117.01854	2.9
129.01825	1.8
139.00241	0.6
157.01282	1.0
175.02383	2.6
192.97910	0.4
205.07135	1.3
231.05014	2.2
249.06113	15.6
250.06320	0.5
267.07217	2.0
278.68204	0.4
285.03937	1.4
305.12363	1.0
316.55038	0.4
321.88721	0.4
347.13467	2.9
351.04178	0.4
356.93509	0.4
365.14490	53.4
366.14841	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03330	2.6
59.01250	15.8
67.01749	0.9
68.99684	1.1
69.03316	0.6
71.01250	14.4
71.49089	0.5
71.49438	0.7
72.01575	0.5
72.99175	4.2
73.02815	1.8
75.00745	17.0
75.42056	0.4
81.03328	0.6
83.01250	1.7
85.02821	19.2
87.00744	6.4
89.02312	3.7
95.01270	5.3
97.02827	0.8
99.00758	9.1
101.02328	1.3
103.00263	1.6
111.00761	1.9
113.02332	21.1
115.00246	1.3
115.07534	100.0
116.07882	3.6
117.01840	2.8
121.02881	2.8
123.00792	0.7
125.02336	0.6
129.01863	2.8
133.02823	1.1
134.50996	0.5
135.04399	1.3
137.02364	0.6
139.00264	1.0
147.02852	0.8
153.05434	2.0
154.02638	0.6
157.01360	0.5
161.02388	2.4
161.04480	0.6
175.02388	3.3
179.03404	1.7
182.02095	0.9
189.04013	0.5
197.04489	4.5
203.06973	0.7
205.07098	1.1
231.05106	2.1
249.03471	1.0
249.06125	20.3
250.06462	1.1
267.07202	2.6
305.12448	1.3
347.13467	3.5
365.14484	65.0
366.14743	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79682	0.6
57.03312	1.8
57.20335	0.7
59.01248	9.6
68.99707	1.1
71.01249	10.3
72.99181	4.0
73.02815	0.9
75.00744	13.1
81.15070	0.6
85.02820	14.1
87.00739	6.3
87.06889	0.7
89.02324	3.2
95.01250	4.6
99.00746	7.5
103.00231	1.5
113.02331	20.2
114.02651	0.6
115.00235	1.8
115.07534	100.0
116.07894	3.5
117.01829	2.2
144.05240	0.7
156.14751	0.8
165.27615	0.7
175.02412	3.0
194.10738	0.7
231.05032	2.5
249.06117	19.7
292.09253	0.7
305.12463	1.3
347.13385	2.0
365.14496	67.0
366.14835	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01249	8.7
62.80375	0.4
67.01747	1.2
68.99701	0.7
69.03327	0.9
71.01248	6.2
72.99176	1.3
73.02812	0.5
75.00745	1.3
79.95629	0.5
83.01257	1.2
85.02824	7.1
87.00764	2.4
89.02312	1.8
95.01256	1.7
96.95908	0.4
99.00763	0.9
101.02316	1.8
101.05961	100.0
102.06293	2.3
111.00761	1.9
113.02325	6.1
114.02672	0.4
115.07513	1.7
116.04961	1.6
119.03397	0.9
123.81823	0.5
129.01839	0.9
130.06516	0.6
136.75266	0.4
139.00296	1.5
142.06525	26.3
156.57416	0.5
157.01340	0.9
158.06035	2.3
161.04427	0.5
186.05527	11.4
199.62964	0.5
204.06613	8.4
205.07062	1.0
246.07639	0.6
263.07748	5.4
333.11948	0.8
365.14493	22.0
366.11774	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	365.1027
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
55.01749	0.3
56.66784	0.2
59.01235	0.8
64.43688	0.2
70.90860	0.3
70.91197	0.2
79.01758	1.6
86.42412	0.2
96.95890	0.2
107.04880	0.6
109.02854	0.6
114.24623	0.2
119.08536	0.4
125.87457	0.2
131.04962	0.2
131.19492	0.2
132.02036	0.9
133.02846	25.2
133.81334	0.2
134.03217	0.8
135.04410	0.3
143.08554	0.7
145.06467	0.4
147.04442	0.4
159.08099	0.2
161.02385	0.2
162.03247	0.2
163.07539	1.3
169.06502	0.3
172.05202	0.5
173.02361	0.4
174.03082	0.3
175.03940	1.4
185.06082	0.5
185.09579	0.4
187.07555	2.6
189.05515	0.6
198.03279	0.3
199.03862	0.3
201.01880	1.3
201.09134	0.6
202.02200	0.2
203.06943	0.2
211.07695	0.3
213.05501	1.5
213.89523	0.3
229.08638	1.7
231.06596	2.3
234.54628	0.2
237.05432	0.3
257.04538	0.2
263.07147	0.3
265.05161	0.2
265.08624	0.5
277.08755	0.4
277.11807	0.2
282.05054	0.3
288.08047	0.2
291.06564	0.3
293.04633	0.2
293.08444	0.2
293.11911	0.3
305.08170	0.6
306.08859	0.3
307.06128	0.7
310.92099	0.2
319.09827	0.3
321.07623	0.7
321.11401	0.7
322.08319	0.5
333.07605	0.5
335.05588	3.4
336.05887	0.4
337.10913	0.5
347.09091	1.5
348.09595	0.3
349.07166	6.5
350.07867	4.3
351.08203	0.4
365.10266	100.0
366.10602	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	365.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91674	1.7
51.03342	1.8
55.01746	3.5
57.03320	1.8
59.01249	46.5
60.61426	1.9
61.03540	2.1
68.99680	1.9
69.02953	3.9
69.03326	73.2
69.54204	11.1
71.01249	25.9
72.76716	1.9
72.99165	12.0
73.02813	2.5
75.00731	3.7
85.02814	8.8
87.00755	6.3
89.02310	14.0
95.01266	6.4
96.95888	2.3
97.02828	25.2
99.00752	17.2
101.02332	10.8
101.05931	2.1
104.82906	1.9
110.09319	1.8
113.02325	8.2
115.00237	4.5
115.03873	4.2
119.03400	6.5
135.04422	22.8
137.68672	1.9
140.31139	1.9
141.01837	9.4
179.03427	14.1
179.04852	1.9
179.05440	1.7
185.00839	23.5
188.69984	2.0
203.01913	100.0
203.46977	2.2
204.02350	2.8
214.24118	1.9
245.08942	1.9
249.06137	5.7
267.07156	2.1
317.09592	2.0
365.11078	4.6
365.18143	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39633	0.3
59.01249	1.2
69.03326	1.0
69.84785	1.2
69.85187	0.7
71.01247	2.2
72.99179	1.0
79.88994	0.3
79.95608	3.7
80.96403	1.6
85.02818	0.7
87.00748	0.5
94.97995	0.5
95.01305	0.6
96.95888	100.0
97.02844	0.3
98.19859	0.4
101.02329	0.4
107.01271	0.9
108.02026	3.8
109.02827	8.5
109.47386	0.4
113.02298	1.0
122.88520	0.4
122.97467	8.1
123.00689	0.4
123.04405	0.3
125.02357	1.0
135.00781	2.6
135.04414	0.4
150.96968	5.5
152.01031	1.2
152.98573	0.8
153.01836	10.0
160.03908	0.5
167.03427	0.9
210.99113	37.4
211.99423	1.3
235.87715	0.4
285.06161	1.6
321.02869	0.5
342.11563	0.4
347.00732	11.0
348.01007	1.2
365.01807	22.1
366.02164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.7
67.87260	0.6
69.47943	1.7
69.48354	1.5
71.01249	1.4
73.02799	1.2
83.01243	0.6
85.02833	0.9
85.78162	0.5
89.02331	0.9
98.19797	0.9
101.02340	1.3
113.02337	0.9
183.10181	1.2
322.13077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27940	2.4
59.01247	11.8
60.12246	2.8
69.34327	2.7
70.50307	2.3
71.01237	3.2
71.18977	2.8
71.19296	4.0
79.95625	3.7
96.95885	100.0
99.69544	2.5
109.02847	5.8
122.97480	7.4
137.65770	2.5
143.94615	2.7
150.96944	6.2
152.98502	2.7
153.01848	10.3
157.56927	2.6
165.78117	2.5
188.12556	2.5
210.99110	39.3
281.77347	2.8
347.00800	18.2
365.01846	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1298
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.57071	3.4
57.03315	10.9
59.01244	57.7
60.62109	3.5
64.28931	4.1
71.01255	50.1
72.99188	9.1
75.00747	34.6
78.42507	4.3
82.14819	4.0
85.02820	53.9
87.00748	16.4
89.02316	17.2
95.01269	12.7
96.95866	4.6
99.00760	17.3
101.02318	6.2
103.00312	4.9
104.86096	3.8
113.02322	74.2
113.05962	69.4
113.39540	4.4
117.01799	7.1
129.01862	5.3
169.03319	4.0
175.02339	7.0
183.10161	6.5
201.11313	15.1
203.12862	4.8
205.07155	4.3
249.06125	56.5
267.07199	92.7
268.07526	5.2
273.25412	4.1
345.11969	5.1
363.12900	100.0
363.16739	24.1
364.13373	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	361.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52414	4.0
59.01254	11.7
61.25891	3.9
64.37634	4.3
71.01254	7.7
87.08018	4.7
106.05798	5.1
109.02907	5.7
113.02391	4.4
137.02353	9.5
140.07022	5.5
151.03882	5.9
153.01917	4.8
171.04385	10.0
172.05202	6.1
175.03874	4.9
183.04428	10.3
184.05180	22.3
185.05989	7.2
193.18358	4.7
197.05960	5.0
200.04677	16.2
211.03925	6.0
214.06482	4.4
228.04247	35.2
243.06584	10.4
258.05261	5.8
272.03214	35.5
287.02435	6.8
287.05603	100.0
288.06046	9.1
362.08618	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	361.093
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
55.01765	1.4
59.01242	1.2
60.86077	0.3
62.47206	0.4
68.70854	0.3
71.01263	0.3
71.16380	0.4
79.01765	2.2
85.02805	0.4
85.06461	19.8
86.06792	0.3
86.53923	0.3
87.36650	0.3
91.05399	0.7
97.02819	3.9
108.02031	0.6
109.02840	0.7
109.06497	1.4
111.04398	4.7
119.03423	0.3
123.00751	1.2
123.04414	0.6
124.01600	0.6
125.02337	0.6
135.04420	2.4
136.01532	1.7
137.02354	4.0
137.05966	0.3
138.03156	3.6
148.01610	0.7
149.02353	0.4
150.03088	0.3
151.00357	0.3
151.03864	0.6
152.04672	1.2
153.05475	100.0
154.05806	4.5
161.02380	0.7
163.00267	0.5
164.01059	11.0
165.01811	2.1
165.05501	0.6
166.02596	2.3
167.03421	0.4
177.01814	0.6
179.03419	8.1
180.04182	6.4
181.04915	1.4
189.05470	0.6
190.02641	1.0
191.03410	0.6
192.00557	8.8
193.01343	1.9
197.04520	0.4
204.04225	1.1
207.02924	17.5
208.03383	1.0
212.03273	0.7
217.01382	0.5
219.06641	0.5
241.05109	0.3
246.05278	2.4
258.09067	0.4
260.06885	0.4
261.07684	1.2
275.09607	0.3
283.06097	0.6
284.06912	0.5
285.04242	0.5
299.09399	0.4
300.06165	0.4
302.08087	0.6
317.10312	1.0
328.05850	3.9
333.09784	5.2
334.10184	0.4
343.08170	4.2
361.09293	23.5
361.16681	1.2
361.25839	0.4
362.09579	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.9
65.63866	0.9
71.53027	1.0
150.78006	1.0
277.21716	100.0
278.22076	10.7
329.02936	2.1
359.07709	3.0
359.22092	17.7
360.22208	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.6
61.96622	0.3
69.67326	0.5
69.67725	1.0
71.01253	0.6
76.33032	0.3
82.98591	0.3
123.03139	5.1
138.05505	100.0
139.05844	3.3
152.07124	0.6
161.04459	0.8
167.03371	0.4
192.06570	0.4
261.12610	0.3
282.09918	2.1
300.10815	1.6
361.09552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1135
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
52.65884	0.4
55.17529	0.4
59.01241	1.7
61.98711	0.9
69.81221	1.2
69.81635	1.8
79.01760	8.0
79.90213	0.4
85.06472	2.6
97.02855	1.1
98.20552	0.5
102.62182	0.5
107.04919	0.9
111.00780	0.8
111.04388	2.5
121.02821	1.4
123.00752	1.0
123.04432	0.9
125.02306	0.8
132.02124	0.5
133.02829	1.4
135.04407	8.3
136.05243	2.8
137.02330	1.2
139.03932	0.7
147.00754	0.9
148.01569	1.0
149.02341	21.4
150.03137	7.0
151.03941	7.1
152.04686	13.1
153.05478	23.6
154.05789	1.2
160.01608	0.9
161.02339	0.9
162.03130	1.1
163.03914	3.1
164.04695	12.0
165.01804	1.1
165.05389	1.7
176.01059	6.0
177.01874	2.7
178.02592	2.1
179.03421	22.2
179.07037	0.7
180.04042	2.3
190.02634	1.4
191.03416	5.4
192.04199	8.9
193.04916	2.1
196.03741	1.3
205.04991	6.0
211.03990	0.6
212.04877	0.8
224.03192	11.9
225.03534	0.7
226.06351	0.7
227.03554	0.5
228.04259	1.6
229.04967	1.7
231.02942	1.2
239.06895	0.5
243.06590	1.3
257.08221	1.1
259.06134	1.1
267.06628	1.2
268.07391	2.3
269.08109	1.5
283.05991	0.7
285.07645	4.0
293.04675	1.6
300.09964	2.2
311.05597	1.0
312.06454	2.0
313.07077	0.7
315.12332	1.2
326.07855	0.7
329.06656	14.9
330.06934	1.3
341.10403	0.8
344.05035	0.7
344.09003	12.0
345.09271	1.0
359.11346	100.0
360.11679	11.0
360.15332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07945	0.4
57.03318	1.7
59.01251	0.9
65.00185	0.8
67.01743	0.6
68.99681	2.1
70.84015	1.0
74.26517	0.5
81.03315	0.6
83.01261	8.1
85.02804	0.6
85.99969	0.4
93.97903	0.5
107.01264	1.8
108.44476	0.5
109.02847	4.2
111.00784	0.8
125.02332	33.9
126.02686	0.9
130.45619	0.4
135.04428	1.3
149.02385	3.2
151.00247	8.2
153.01834	100.0
154.02161	3.2
167.03404	0.9
169.01294	0.5
177.01849	3.4
177.20692	0.5
178.99785	5.2
179.03339	0.7
195.02937	2.8
197.04475	0.8
227.22311	0.5
234.47948	0.4
244.82860	0.4
287.07648	1.3
296.28329	0.5
315.07190	11.7
316.07593	0.9
339.25848	0.4
341.05121	1.1
352.24680	0.4
359.06201	13.0
360.06476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
56.33558	0.2
57.03325	3.5
58.99476	0.3
59.01252	2.2
62.73936	0.2
63.02267	0.6
64.85784	0.2
64.92577	0.2
65.00193	3.1
65.03827	0.4
65.65430	0.2
67.01756	1.9
67.11441	0.2
68.99684	3.7
69.00050	0.3
69.03326	0.6
69.32012	1.5
70.81639	0.2
71.01254	1.8
72.99183	2.8
73.02827	0.3
75.00739	0.5
79.01752	0.6
81.03325	1.9
83.01256	16.4
84.01593	0.4
85.02822	4.3
87.00751	0.2
89.02322	1.0
91.01780	0.6
93.03333	0.7
95.01247	0.3
95.04861	0.3
97.02824	1.1
101.02346	1.1
105.03374	0.3
107.01270	4.6
107.04930	0.2
108.02109	0.3
109.02838	8.6
110.03157	0.3
111.00761	1.7
113.02332	0.6
119.03384	0.4
121.02826	1.3
123.00756	0.6
123.04395	2.0
124.01538	0.4
125.02333	32.6
126.02676	0.8
128.03418	0.3
129.01842	0.2
133.02855	0.4
134.03647	0.4
134.04651	0.7
135.00801	0.5
135.04407	7.6
136.04753	0.5
137.02345	0.8
138.03113	0.5
138.43729	0.2
139.00200	0.2
139.03928	0.9
140.01074	0.7
147.02910	0.5
149.02333	2.8
149.06012	0.2
151.00275	19.2
152.00844	0.7
153.01834	100.0
154.02176	4.0
155.03407	0.7
161.04428	0.4
163.03909	0.2
165.01840	2.8
167.03410	1.4
169.01393	0.4
177.01859	5.9
178.02252	0.2
178.99789	3.1
179.03426	2.1
183.02884	1.5
191.01927	0.6
193.01366	0.3
195.02907	4.5
196.03369	0.3
196.06026	0.3
197.00853	0.5
197.04500	4.5
197.06255	0.4
198.04900	0.2
207.02972	0.9
209.02901	0.4
257.07938	0.2
287.07822	0.8
297.09872	0.6
315.07205	6.6
316.07620	0.5
341.05048	0.9
359.06171	7.9
359.09979	2.6
360.06216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.5
71.01260	3.4
72.99174	0.5
82.90569	0.6
83.01212	0.6
85.02821	2.5
89.02287	0.6
99.00764	0.9
108.08070	100.0
109.02818	0.9
109.08405	3.9
113.02348	1.9
119.03653	0.8
120.08072	2.9
121.02828	0.9
132.08083	1.2
133.02870	1.5
134.03214	2.1
134.35040	0.6
135.04434	1.0
136.01561	0.9
138.03152	1.6
140.52243	0.7
148.07579	1.5
149.04649	0.6
151.00252	1.5
152.07074	78.9
153.01834	0.9
153.05508	3.5
153.07423	3.0
161.02350	1.0
166.08656	15.9
167.08948	0.9
176.07147	0.9
179.03429	1.4
194.08153	9.1
195.08463	0.7
196.06078	54.5
197.04457	4.9
197.06403	3.2
238.07140	8.3
269.04510	0.7
285.04089	1.8
286.04428	9.3
287.04602	0.7
298.09354	5.0
314.03909	1.8
358.11298	6.8
371.17184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98701	3.8
71.53176	5.0
81.03286	3.4
87.46191	3.1
93.03264	3.4
96.95876	3.7
102.65087	3.8
109.02833	4.2
115.68594	4.2
119.04874	9.1
121.02825	45.1
133.02791	4.9
137.02379	4.3
163.00291	8.8
179.03539	3.8
181.06555	3.5
193.08676	4.0
210.06226	3.5
223.13335	8.6
297.11749	4.3
313.10669	7.5
342.07391	6.2
357.06033	22.8
357.09824	14.8
357.13571	12.1
357.26309	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	357.0979
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
55.01742	1.4
57.03313	1.1
59.01252	3.4
67.46930	1.1
69.51660	8.0
71.01248	10.3
73.02820	2.7
74.30009	0.9
76.46190	1.3
80.54820	1.1
83.01247	1.6
85.02829	6.1
89.03845	2.8
93.03337	2.8
95.01267	1.3
98.19826	2.6
99.00771	2.0
101.02318	4.4
108.02088	1.7
109.02838	1.9
113.02318	4.1
117.03352	11.5
119.04918	86.1
120.05283	2.7
121.02824	2.2
124.01574	3.4
125.02293	2.2
130.08623	4.7
133.01895	1.3
133.02855	4.9
134.03632	100.0
135.04353	2.4
137.02327	3.6
146.03638	4.5
147.04413	5.5
148.05185	7.7
149.06026	9.5
150.03123	1.4
154.01361	17.6
161.04459	3.7
161.05969	3.4
162.06793	1.4
163.00331	1.9
163.03922	67.4
164.04309	3.8
165.09140	1.7
177.01888	7.1
178.02538	7.6
193.04994	54.4
194.05305	3.4
195.06505	1.4
211.07629	1.5
225.05450	1.9
226.06212	1.3
235.07703	1.2
239.07204	1.8
252.07968	2.3
253.08656	11.4
254.09322	6.5
266.46069	1.2
269.11874	4.2
285.04037	4.3
297.04141	5.6
298.04764	3.7
299.05756	1.4
313.10818	36.1
314.11124	3.3
323.16016	1.9
327.04849	1.3
357.06073	8.4
357.09827	63.1
357.14285	3.0
358.10187	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.1
61.98704	69.4
62.77610	5.9
64.21691	5.4
65.00190	6.2
87.48654	5.9
96.80442	5.7
121.02849	16.3
124.01529	17.1
125.09591	9.8
133.06491	10.5
134.06813	7.9
149.09648	5.3
151.07628	8.1
160.98958	6.6
165.01794	7.0
177.01810	10.8
177.05531	8.6
178.02196	16.9
178.05756	8.1
193.08698	39.7
194.08949	44.5
202.05925	5.9
218.08932	6.2
220.06998	10.7
256.84076	7.1
273.98196	6.6
312.13190	13.6
327.04782	6.0
328.12720	99.7
329.13129	12.3
330.29794	7.3
338.10809	9.5
356.12167	100.0
357.05887	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.97475	0.2
56.47650	0.2
59.01247	0.4
68.53864	0.2
72.19055	0.2
80.74306	0.2
81.68372	0.2
90.26218	0.2
93.03319	0.2
119.04916	0.2
121.02840	100.0
122.03173	3.5
145.02837	0.3
163.03937	0.4
165.01804	1.2
180.05722	1.8
181.06496	6.4
182.06889	0.5
183.74252	0.2
185.90369	0.2
197.06071	0.3
205.93512	0.2
225.05527	6.9
226.05862	0.4
269.08188	0.4
276.88242	0.2
313.07144	7.4
314.07541	1.1
357.06137	28.3
357.26422	1.7
358.06415	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	355.1185
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
56.89787	0.2
57.03320	0.2
59.01239	0.6
60.95784	0.2
63.02270	1.0
65.00194	10.5
66.00523	0.5
68.99686	0.4
71.22106	0.2
85.02842	0.4
86.61082	0.2
91.05432	0.2
93.03320	0.3
107.04924	1.4
108.02056	0.4
109.02830	1.8
109.06478	1.8
117.03330	0.3
121.02839	0.3
124.01539	0.5
129.06993	0.3
131.08551	0.5
133.02869	0.2
133.06493	13.9
134.03635	2.3
134.06808	0.4
135.04414	100.0
136.01498	0.2
136.04749	3.8
137.02368	0.5
147.07953	0.4
149.02312	0.2
149.05994	1.8
149.99480	2.2
151.00294	0.4
151.07559	3.1
159.04410	0.3
161.02406	0.9
164.00946	0.2
173.05963	0.3
175.07571	6.2
176.01064	1.5
176.07921	0.4
177.01846	0.2
178.61586	0.2
183.01154	0.6
191.07077	0.7
193.08624	3.7
217.04991	0.3
219.06572	67.5
220.06908	4.3
233.08066	0.6
237.07637	1.5
238.07896	0.2
245.08130	0.5
337.10748	0.7
355.11890	15.2
355.19440	1.4
356.12186	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.83380	1.6
55.18978	1.5
57.56498	1.4
59.01236	3.1
69.81950	5.3
71.65643	1.7
72.73187	1.6
83.04878	1.7
85.02810	2.0
98.19823	1.7
99.20849	1.7
101.05934	2.3
109.02825	2.2
111.00796	1.7
122.03624	13.5
127.07507	1.6
135.04422	28.0
136.04723	1.6
147.08022	4.8
149.09590	9.1
151.07564	2.3
154.02525	2.1
154.46196	1.7
161.09636	8.1
163.07542	5.6
163.11200	60.6
164.08330	17.1
164.11531	3.1
165.09131	10.7
177.09119	67.8
177.10678	3.4
178.09888	22.5
179.10693	85.7
180.11079	4.6
183.10252	1.9
186.72951	1.5
191.10698	12.2
193.08598	10.5
199.65576	1.5
227.20029	3.9
265.12183	1.7
298.15744	56.1
299.16058	4.3
309.22040	2.2
337.21741	50.5
338.22046	7.1
340.20395	85.5
341.20898	9.5
347.90613	1.9
355.22772	100.0
356.23117	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	355.1183
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
57.03316	1.3
59.01242	2.1
64.38652	0.9
71.01253	1.1
78.80418	0.5
85.02835	1.1
90.37966	0.5
93.03334	1.4
103.21749	0.6
109.02828	1.0
110.06026	0.7
119.04911	100.0
120.05244	2.8
121.02843	14.2
123.04414	0.6
127.11166	2.2
133.02759	0.7
134.03618	1.5
135.04410	77.0
136.04790	3.2
139.11174	1.2
155.10620	0.7
161.02335	1.1
163.00301	1.1
163.03914	2.0
171.13762	1.7
173.06027	0.8
177.02068	1.0
189.05435	1.3
195.02844	1.0
217.05003	4.9
218.05225	0.7
229.68477	0.8
235.06110	0.8
239.06929	1.0
279.06564	0.8
281.04517	1.8
283.05508	2.1
297.07693	2.8
311.09253	13.5
311.25916	4.4
312.09491	1.5
337.10770	5.9
355.08228	4.1
355.11841	72.2
355.15564	4.7
355.24554	3.6
356.08374	1.2
356.12250	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	355.1186
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
57.03319	10.5
63.02275	1.2
65.00182	5.3
71.44133	1.0
81.03328	1.4
83.01275	2.4
93.03328	1.6
94.91032	1.1
95.01265	1.1
107.01241	1.0
107.04916	2.1
107.08569	1.6
108.02045	1.8
109.02818	1.7
109.06473	7.7
119.04932	1.1
121.02838	3.2
123.04395	3.6
124.01556	23.3
125.02364	1.7
125.09617	11.8
125.71581	0.8
126.09999	0.8
131.04916	2.5
131.08582	1.0
133.02859	4.7
133.06479	10.4
134.03654	2.0
134.85246	0.8
135.04459	2.6
137.02280	1.8
137.69756	0.8
143.04854	1.0
149.02357	3.6
149.06020	1.5
149.09616	9.1
150.03188	1.4
151.00264	2.7
151.07533	12.5
152.01085	5.4
157.06523	1.0
158.03722	0.9
159.04385	1.8
161.02368	1.0
161.05913	1.0
165.01817	5.1
166.02658	1.4
171.04446	0.9
173.06013	1.7
175.03941	2.1
175.07568	2.8
176.01045	3.2
177.01862	20.4
177.05490	16.2
177.09097	1.5
178.02539	1.2
178.99759	2.7
187.07712	1.0
191.03442	0.9
191.07120	1.8
191.85001	0.9
193.08635	77.3
194.08987	4.0
198.06586	1.1
201.05493	7.0
203.03473	2.8
203.07043	1.6
204.07751	1.4
205.05005	2.7
205.08844	0.9
214.06245	1.6
219.06569	14.7
220.07277	4.6
221.08145	2.9
233.08240	4.2
241.12253	1.5
242.05891	2.7
247.06053	7.4
267.13797	1.8
269.11761	5.2
271.90805	0.9
281.11874	2.0
283.13385	4.2
294.05600	1.6
309.11368	1.1
311.12900	16.3
312.13220	1.5
327.12372	100.0
328.12717	9.6
337.10803	4.6
355.11871	96.5
356.12210	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01247	4.1
61.98652	0.9
69.47861	6.7
71.01255	2.6
85.02841	2.8
89.02319	2.7
93.03347	1.0
98.19828	2.0
101.02345	1.7
113.02286	1.1
121.02852	2.9
123.04432	1.1
127.04012	1.0
132.02055	3.6
134.03632	49.9
135.03972	2.4
137.02357	6.0
139.03838	2.4
149.06000	18.4
150.03137	1.6
151.03912	4.1
160.01572	25.6
161.02054	1.1
175.03935	41.2
176.04298	3.1
178.02649	29.0
179.02890	2.2
191.05548	4.3
192.05904	3.1
193.04959	100.0
194.05257	5.1
217.04948	2.8
235.06152	1.9
254.93660	0.9
355.10355	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	355.1181
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
57.03303	0.8
59.01241	1.4
65.00197	0.7
68.80794	0.6
70.23525	1.0
70.23851	1.4
71.01234	0.5
85.02823	1.2
93.03374	0.7
98.20462	0.7
101.02286	0.5
105.03344	14.3
106.03716	0.7
109.02844	1.3
117.03328	0.8
117.49992	0.5
119.04906	3.6
121.02814	1.9
123.04346	0.8
134.03630	4.0
135.04411	100.0
136.04732	4.9
139.03914	1.3
149.02338	7.7
161.02367	2.2
162.03085	1.5
167.03427	4.3
175.07571	1.8
177.01749	0.8
185.11751	0.7
193.08669	1.0
194.02196	1.4
201.05507	0.8
219.06583	18.5
220.06912	1.6
235.06029	0.6
237.07657	28.0
238.08018	2.0
243.06650	0.8
267.06580	1.2
317.81326	0.7
328.61252	0.6
337.10754	0.7
355.11856	42.3
355.24850	7.3
356.12225	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.7
57.03315	0.7
59.01249	8.6
71.01254	5.7
72.99195	1.1
85.02820	4.8
89.02318	2.9
89.42426	0.7
89.78911	0.7
90.58273	0.6
95.01314	0.7
101.02326	2.5
109.02829	2.0
113.02324	2.0
119.03441	1.2
119.04928	0.9
125.02337	1.0
132.02065	14.7
133.02867	0.9
134.03638	10.8
135.04146	0.7
149.02243	0.8
149.05977	2.3
151.03917	38.5
152.04305	1.2
160.01573	63.3
161.01973	2.9
175.03923	100.0
176.04340	6.7
191.01930	0.7
191.07060	1.9
193.01320	1.0
193.03320	1.3
193.04993	18.7
194.05322	1.2
202.02592	0.7
207.06581	1.0
217.05003	4.3
235.06023	4.6
265.07236	1.4
295.08133	3.8
355.06793	0.7
355.10428	5.8
360.58594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.40781	0.6
56.26474	0.4
59.01248	7.6
69.19357	1.0
69.19770	3.9
71.01252	4.3
72.99165	0.7
83.01254	0.7
85.02823	1.5
88.18227	0.4
89.02327	3.6
95.01247	0.6
96.95882	1.4
98.19850	1.3
99.00738	0.5
101.02329	1.9
113.02319	2.0
119.03374	0.6
132.02069	14.0
134.03641	8.3
137.02277	0.5
137.51074	0.5
147.04462	1.0
149.05946	1.1
151.03911	1.1
160.01572	64.0
161.01900	2.6
175.03922	100.0
176.04286	4.6
191.07065	2.0
193.04991	14.3
193.06787	0.7
194.05261	0.9
198.53316	0.5
202.02711	1.0
217.05014	4.9
218.05180	0.6
235.06139	2.6
265.07294	0.6
295.08136	2.4
346.33508	0.5
355.10248	4.6
355.13422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.5
57.03324	14.1
59.01249	7.4
59.76451	0.8
68.99661	1.3
69.97345	3.0
71.01255	7.3
72.99176	4.7
73.02818	2.6
75.00753	2.2
83.01269	2.3
83.83675	0.8
84.02049	3.4
85.02824	100.0
85.22295	0.9
86.03165	3.6
87.00741	2.1
89.02316	2.1
99.00783	0.9
101.02330	3.1
103.00257	2.0
105.03665	2.0
111.00753	6.3
112.62993	0.9
113.02329	4.4
115.00275	2.1
119.04935	1.4
129.01837	9.0
133.01315	1.8
147.02887	11.6
149.05891	1.0
157.01364	1.3
163.03897	3.2
173.00839	1.1
175.02422	2.7
191.01898	26.0
191.05588	1.8
192.05885	1.8
193.05913	2.9
209.02989	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	1.2
57.03320	8.9
59.01247	3.8
66.00324	0.7
69.97929	2.9
71.01244	5.2
72.99191	1.8
75.00740	1.6
83.01235	2.1
84.02038	2.4
84.49481	1.0
85.02819	100.0
86.03166	1.7
87.00768	1.0
93.03289	1.2
98.19886	1.2
101.02319	1.2
103.00231	2.0
111.00734	3.9
113.88994	1.0
115.00291	1.2
119.04884	3.1
127.94943	0.9
129.01831	8.8
133.01295	1.5
147.02882	12.5
163.03877	3.6
173.00848	1.5
191.01889	29.8
191.05527	3.1
192.02138	1.3
192.05827	2.0
193.05980	2.9
204.10625	0.9
209.02951	37.9
210.03212	1.9
249.05931	1.4
324.34988	0.9
357.36945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0822
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
51.66469	1.2
55.44601	1.0
58.28170	1.2
59.01237	3.7
71.52843	1.3
85.02813	3.6
93.03327	2.5
112.12548	1.2
119.04914	82.0
120.05245	3.7
121.02840	84.2
122.03170	4.2
133.02826	1.3
135.04420	2.5
162.03096	1.2
163.00266	2.8
163.02814	1.3
163.03943	11.1
177.01807	1.2
181.06473	4.4
181.51035	1.2
217.05019	3.9
225.05600	2.4
235.06029	4.0
243.35556	1.1
264.54401	1.1
275.03696	1.5
278.42719	1.2
311.09235	100.0
312.09579	10.7
313.04300	1.1
337.10904	1.9
355.08090	36.6
355.11902	29.8
355.24512	1.9
356.08395	4.9
356.12268	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	353.2118
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.24657	0.3
69.82222	0.7
69.82639	0.7
72.73167	0.3
79.89350	0.3
79.95604	1.7
80.96394	0.4
94.97980	0.3
95.95087	0.4
96.95889	15.7
98.20403	0.5
98.45365	0.3
105.93288	0.3
107.20049	0.3
122.97459	0.9
147.08060	0.5
150.47185	0.3
163.11195	88.1
164.11542	5.5
165.82925	0.4
177.09125	63.7
178.09454	4.7
219.48752	0.4
222.08818	0.6
311.74506	0.3
353.21140	100.0
354.21484	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	354.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01247	0.9
59.80537	0.4
69.09588	0.3
70.64817	0.3
71.01266	0.4
84.02047	0.4
85.02818	5.4
85.99418	0.3
98.20551	1.1
105.03352	0.9
121.02839	1.0
123.00805	0.5
129.01828	0.6
132.02094	0.5
133.02859	2.5
134.03648	0.4
135.04425	1.6
138.03134	1.6
145.02846	0.9
147.02916	0.7
150.03029	0.6
153.05453	0.4
160.01602	2.2
161.02353	27.1
162.03157	2.0
163.03928	0.5
165.05472	0.5
175.03932	5.2
176.04695	5.4
177.05493	10.2
178.05898	0.6
179.01640	2.0
179.03389	1.7
180.02391	0.5
183.01166	1.0
190.99951	0.4
191.01883	1.5
191.05486	0.5
192.00580	0.6
193.04965	0.5
194.00372	1.4
195.01141	9.0
209.02745	16.8
210.03493	26.8
211.03818	1.5
225.05856	100.0
226.06169	7.6
256.24911	0.4
300.68466	0.4
353.60992	0.5
354.10318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.6
65.00193	0.6
71.01214	0.4
74.44535	0.4
77.03834	1.9
79.01754	1.3
90.92126	0.5
93.03320	1.4
98.20664	0.9
107.76897	0.5
117.03351	6.7
119.04919	5.5
120.15118	0.5
121.02866	2.6
122.52785	0.4
133.02884	0.6
135.00754	0.9
135.04427	1.6
136.01561	1.1
145.02838	0.6
159.04388	1.2
161.02335	3.9
163.03931	6.6
165.01837	2.3
183.04436	0.7
183.08083	0.6
197.05943	1.4
199.03998	0.8
210.06735	1.3
211.07526	1.0
224.04726	1.0
225.05435	0.7
237.05515	0.6
239.03505	0.8
239.07088	1.4
253.05038	4.2
254.05785	2.8
275.06995	0.5
275.83588	0.5
281.04535	9.7
282.05313	25.1
283.06088	66.1
284.06458	5.9
314.04337	9.9
315.04596	1.0
317.08246	1.8
335.09222	8.1
336.09534	1.1
353.10281	100.0
354.10672	11.1
371.07590	0.5
376.68530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Leaserone
Peak:m/z	Relative Intensity
50.69361	0.3
55.01753	0.4
59.01237	1.0
62.78086	0.3
65.00202	1.6
68.99673	0.4
69.51875	2.2
70.36140	0.3
70.46700	0.3
72.89957	0.3
77.03838	3.7
77.93430	0.3
79.01758	10.0
79.02206	0.5
80.02151	0.3
80.77989	0.4
93.03333	5.9
93.63127	0.3
97.02782	0.3
107.04936	0.9
108.02009	0.5
109.02817	0.4
109.06484	2.2
117.03352	0.7
119.04912	77.2
120.05250	2.7
121.02840	1.2
122.03650	0.7
133.05489	0.5
133.06487	7.9
134.03621	0.4
135.04448	0.4
136.01547	0.7
145.02852	1.9
145.10121	1.9
146.03563	0.7
147.04413	0.8
149.02368	0.6
150.03156	1.8
151.03909	0.9
159.04463	0.4
161.02422	0.5
161.09607	1.1
162.03110	1.7
163.03920	0.5
163.07542	0.7
163.11055	0.4
164.01044	1.5
164.04733	0.4
165.09116	7.1
171.08153	0.4
173.05997	0.5
175.03931	1.1
177.01888	0.7
177.09071	0.7
178.02603	0.9
183.01096	1.4
187.03888	0.5
187.07576	0.3
189.01875	0.9
189.09142	10.4
190.02637	9.0
190.09521	0.6
191.03412	1.5
191.05505	1.2
199.07611	0.4
203.03377	0.4
203.06897	0.5
203.10820	0.3
204.04204	0.5
205.08665	3.4
207.10234	1.2
219.10130	0.6
226.59937	0.3
229.37337	0.3
233.08142	45.3
234.08467	2.9
245.28798	0.3
247.09706	4.0
250.88997	0.3
251.07036	0.4
251.09224	1.8
259.09711	3.3
326.38580	0.3
353.13913	100.0
354.14246	10.7
354.18509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	1.1
69.26353	0.9
69.26765	1.5
73.98228	0.3
78.68868	0.3
93.03349	0.6
97.63140	0.3
106.78736	0.3
107.04890	0.4
108.02025	0.4
109.06510	0.5
121.02840	0.5
131.08517	0.5
133.02852	6.0
133.06471	1.8
134.03609	1.0
135.00792	0.8
135.04407	7.6
136.01546	0.5
137.02328	0.4
145.02864	0.5
147.04424	0.3
148.01546	0.6
148.89345	0.3
149.02385	0.4
151.07603	0.7
159.04446	0.7
161.02353	0.7
163.00269	2.4
164.00987	0.4
173.02357	0.7
173.05969	0.6
174.03148	0.4
175.00301	1.5
175.03874	0.7
175.07484	0.4
176.01025	1.2
176.70555	0.3
177.01843	0.6
187.03871	0.5
189.01897	1.5
197.05817	0.4
199.03957	0.6
201.01909	1.1
209.06123	0.4
211.03995	0.8
213.05589	0.4
219.06541	2.1
224.04747	0.6
225.05499	0.9
226.06252	0.5
227.03387	0.6
237.05562	0.8
238.06284	0.4
239.03484	0.8
241.05064	0.8
253.04962	1.6
254.05687	0.4
255.03067	0.5
256.03870	0.5
265.05142	0.8
267.02869	0.5
269.04483	0.9
270.05380	0.6
281.04486	0.9
281.11960	0.5
282.05377	1.0
284.03345	1.6
297.04044	5.6
297.11118	0.5
298.04764	3.5
309.04034	18.8
309.11343	0.8
310.04684	7.0
311.05389	0.8
323.05630	1.2
324.06210	0.4
325.10883	0.7
337.07263	0.7
338.07962	1.3
353.10291	100.0
354.10641	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	353.1027
Annotation	Platanetin
Peak:m/z	Relative Intensity
59.01237	1.8
63.00423	0.4
63.02242	0.4
65.00188	1.1
68.37915	0.4
69.65465	1.3
69.65871	0.6
71.01241	0.5
78.64114	0.3
81.37656	0.4
85.02827	0.4
93.03307	0.4
95.01247	0.4
98.20495	0.7
105.03320	0.5
107.04881	0.8
109.02816	0.7
109.06496	0.5
117.03391	0.5
121.02834	0.7
132.02029	0.6
133.02847	10.7
133.06522	2.0
134.03665	1.9
135.00775	1.4
135.04411	8.2
136.01553	0.4
136.04689	0.5
145.02878	0.5
147.04401	0.4
148.01610	0.5
149.02260	0.6
149.05960	0.6
155.04921	0.4
156.76788	0.3
159.04431	0.7
161.02299	1.7
163.00275	5.7
163.07544	0.4
173.02415	0.4
173.05901	1.0
174.03186	0.9
175.03897	1.6
175.07539	0.4
176.00981	1.1
177.01845	0.8
183.04413	0.4
187.03873	0.4
189.01845	1.3
189.05402	0.5
191.05571	3.1
197.06075	0.9
199.03891	0.9
201.01811	1.1
207.99989	0.6
211.03976	1.0
212.04721	0.5
213.05521	0.7
215.03357	0.7
217.04951	0.6
219.06557	1.6
225.05489	1.2
226.06177	0.5
227.03395	1.2
229.05013	0.5
240.04312	0.4
241.05008	1.6
242.05460	0.6
253.05080	1.8
254.05632	0.8
255.03014	0.7
256.03665	0.4
266.05817	0.6
269.04520	1.6
270.05072	0.7
281.04590	0.7
282.05374	1.0
284.03253	1.6
295.06131	1.7
297.04034	9.6
297.11362	0.6
298.04767	3.5
299.04892	0.4
309.04047	5.4
310.04797	6.9
310.08200	0.3
311.04977	0.7
323.05383	0.7
325.10663	0.6
330.03772	0.9
338.07834	1.6
353.10284	100.0
354.10629	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	353.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59716	0.2
59.01261	0.2
63.02259	0.4
65.00192	1.3
71.23636	0.2
79.29488	0.1
105.06989	0.1
109.02821	0.2
109.06461	0.6
117.03320	0.2
131.08508	0.3
132.02068	0.8
133.02843	24.1
133.06468	3.1
134.03130	0.8
135.00735	0.3
135.04420	0.3
136.52655	0.2
144.74516	0.1
145.02832	0.2
148.01552	0.4
149.02397	0.2
149.05994	0.2
151.07509	0.9
154.58325	0.1
161.02330	1.5
162.03043	0.1
163.00287	1.9
164.00778	0.2
173.02350	0.4
173.06053	0.2
174.03093	0.7
175.00237	0.3
175.03937	1.9
175.07576	1.1
176.01086	1.2
177.01839	0.2
187.03908	0.2
189.09151	0.3
197.05957	0.1
198.03101	0.3
199.03911	1.1
200.04623	0.2
201.01842	1.1
201.05489	0.2
211.03937	0.7
212.00375	0.2
212.04681	0.3
216.04178	0.2
217.08589	1.0
219.04607	0.2
219.06570	3.1
220.06845	0.3
223.04063	0.2
224.04706	0.3
225.05457	1.0
227.03410	0.8
227.91803	0.2
228.04175	0.3
237.05605	0.2
239.03502	0.3
240.04192	0.5
241.04866	0.3
251.03510	0.3
253.05077	1.1
254.05476	0.2
255.02965	1.1
256.03644	0.4
265.05048	0.5
266.05560	0.2
267.03058	0.3
267.10156	0.5
268.03616	0.2
269.04553	0.9
270.05240	0.3
281.04489	0.3
282.05328	0.2
284.03229	2.5
285.03894	0.4
285.11353	0.3
297.04031	10.4
298.04602	2.1
309.04031	10.3
309.11371	0.4
310.04617	2.6
311.09122	0.2
323.05359	0.2
325.10703	0.2
335.09219	0.3
337.07236	0.4
351.08713	0.3
353.10272	100.0
354.10626	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.75243	0.4
57.03316	0.9
59.01244	2.7
71.01249	1.6
73.02823	0.9
74.15089	0.4
77.13355	0.5
81.03322	0.6
83.74081	0.5
85.02821	17.1
87.00735	2.0
90.04479	0.4
93.03326	4.9
93.36118	0.4
101.02251	0.4
104.52876	0.4
109.02825	1.3
111.04405	1.8
120.61771	0.4
127.03893	3.2
133.02831	1.0
134.03638	0.6
135.04407	3.9
137.02336	0.6
152.61789	0.4
161.02368	2.4
171.02908	0.7
173.04489	1.9
179.03407	1.8
190.35710	0.4
191.02020	3.7
191.05540	100.0
192.05890	5.6
192.51730	0.4
212.74742	0.4
274.55637	0.5
296.77008	0.4
317.66171	0.5
353.08743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.9
65.00185	0.7
69.26229	3.2
69.26648	1.8
71.01244	0.8
71.71955	0.6
79.95650	0.6
109.02798	1.1
117.03334	12.5
133.02826	2.5
143.03287	0.6
147.04382	0.8
159.04427	0.6
161.02341	1.3
163.00290	1.3
175.03891	5.6
177.01830	2.9
191.03972	0.6
191.05557	2.0
215.07092	0.7
217.05037	1.0
223.07671	0.6
233.08167	1.1
235.06007	2.8
251.07155	1.5
268.03732	1.6
281.04553	2.3
282.05322	1.6
283.06274	0.7
293.04559	3.9
294.05145	0.7
295.06097	12.6
296.06396	0.9
335.09174	3.3
353.10275	100.0
354.10623	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	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00960	3.3
57.03328	4.2
59.01251	100.0
61.99860	3.1
65.06153	3.3
71.01251	38.5
71.53513	4.0
73.02821	56.0
83.01263	15.0
85.02824	34.1
87.00754	13.7
89.02331	7.7
92.04942	7.4
100.56173	4.1
101.02327	28.6
113.02364	10.8
116.04976	4.9
118.02891	4.4
120.04451	6.7
131.03607	6.3
132.04454	19.6
133.02846	3.5
135.04417	5.4
136.90143	3.2
142.06520	20.6
144.04453	18.9
146.02394	95.8
146.06010	4.2
147.03148	70.9
148.03889	13.9
149.04414	4.5
158.06013	6.3
159.72597	3.3
160.03955	94.3
161.02324	4.3
161.04382	7.8
172.03975	18.7
174.05511	9.2
175.05919	4.0
179.02142	9.0
181.16119	3.9
186.05617	8.7
191.01904	21.2
191.05542	95.2
202.05086	14.0
214.05064	15.0
222.02269	10.2
292.08118	5.5
310.09277	8.8
352.10303	62.1
352.17093	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	351.1812
Annotation	13beta,14-Diacetoxy-9(12)-capnellene-8beta,10alpha-diol
Peak:m/z	Relative Intensity
59.01249	100.0
69.46467	3.8
69.46896	5.0
78.95795	3.5
102.34680	1.3
113.97793	1.3
117.03338	3.5
133.02821	1.9
213.05495	1.8
247.17018	7.2
291.15997	40.4
292.16251	3.5
333.07599	3.8
351.08759	25.3
351.21939	2.2
352.08575	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	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.7
61.98700	100.0
65.30808	3.8
71.53733	4.7
76.76232	3.8
85.02802	14.0
96.21803	3.7
96.95860	5.0
101.05949	14.0
115.66026	4.7
125.02241	9.2
131.49792	3.9
141.73788	3.9
142.06474	6.0
159.02863	9.6
161.02380	3.9
169.82082	4.7
191.05554	12.4
345.24414	4.5
352.13214	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.3
65.37238	0.4
70.82438	0.5
71.01257	0.6
83.01245	0.4
85.02842	0.6
86.20503	0.3
96.95946	0.5
101.05978	0.4
105.15795	0.4
117.74667	0.3
166.18405	0.4
182.30202	0.4
185.53282	0.4
249.13602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04445	0.3
51.22713	0.4
59.01250	100.0
60.01587	1.6
62.93726	0.3
63.67620	0.4
69.60915	2.6
71.01266	0.6
75.36027	0.4
77.77820	0.4
83.76328	0.4
87.00693	0.5
88.90813	0.4
96.95882	0.6
98.19852	0.6
180.15793	0.5
228.22102	0.4
259.27759	0.5
282.39859	0.4
293.86145	0.5
349.23257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.0
58.96300	0.7
59.01249	13.9
62.19893	0.7
67.49142	0.7
68.99695	1.1
70.81326	1.1
70.81641	1.3
71.01259	15.0
72.99168	3.5
73.02820	1.1
75.00750	15.4
76.20275	0.8
76.52444	0.8
85.02821	20.2
87.00748	6.7
89.02308	3.5
95.01276	4.7
99.00755	10.5
101.05962	93.2
102.06281	2.1
103.00234	3.7
104.58418	1.0
106.41410	0.8
111.77998	0.7
113.02329	34.9
114.02640	1.2
115.00251	2.3
117.01842	2.9
129.01836	2.4
142.75464	0.8
147.03052	1.1
157.01294	1.4
175.02383	3.3
178.06737	0.9
205.07085	3.5
231.05142	1.3
249.06133	7.7
267.07166	5.4
291.10968	1.4
333.11932	3.6
351.12955	100.0
352.13312	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03322	2.1
59.01246	10.7
67.01752	0.5
68.86295	0.5
68.99678	1.0
70.39307	0.6
70.39622	0.9
71.01252	10.8
72.99178	3.6
73.02829	1.1
75.00742	15.9
83.01260	0.7
85.02820	14.0
87.00751	5.5
89.02321	3.3
94.83510	0.4
95.01267	3.5
99.00753	8.2
101.05960	100.0
102.05701	0.4
102.06255	2.5
103.00259	1.2
111.00796	0.7
113.02324	24.3
114.02641	0.5
115.00268	1.8
117.01821	2.8
126.43124	0.4
126.50693	0.4
129.01831	2.0
139.29837	0.5
157.01338	1.5
175.02376	2.8
205.07124	1.1
231.04999	3.1
233.46855	0.5
249.06122	20.8
250.06409	1.1
267.07193	1.8
291.10822	1.4
313.26428	0.4
333.11850	3.0
341.51678	0.5
351.12936	71.1
352.13272	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	351.1235
Annotation	Neorautane
Peak:m/z	Relative Intensity
52.76866	0.2
59.01229	0.6
69.34524	2.0
77.03831	0.5
79.01764	1.6
107.04926	0.2
109.06503	0.4
117.03345	20.4
118.03699	0.8
118.67308	0.2
119.04932	0.5
130.29788	0.2
133.02901	0.3
133.06491	0.8
145.10184	0.3
147.04379	0.6
149.02359	0.6
152.47911	0.3
159.04449	0.6
162.03044	0.5
165.09082	0.9
175.03917	5.6
176.04523	0.4
177.01834	2.4
185.02284	0.6
188.04721	0.8
189.01770	0.6
189.09111	0.8
190.02603	1.3
195.04462	0.3
197.05911	0.3
203.10690	0.7
205.08641	0.4
223.07555	0.4
224.08104	0.3
231.10205	2.1
233.06024	0.4
233.08128	3.2
251.07001	0.8
267.06638	1.0
268.07352	0.5
279.06522	0.4
281.04486	0.9
282.05383	1.5
283.05765	0.3
295.06119	10.9
296.06830	3.0
307.06107	12.7
308.06766	3.6
309.07529	0.3
309.11172	0.6
328.05878	1.4
335.09155	0.6
349.11066	0.5
351.12357	100.0
352.12689	10.9
352.17084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.8
59.01918	0.7
62.36722	0.5
69.20162	4.8
93.69497	0.6
117.03336	15.1
118.03666	1.0
119.04940	1.7
136.09517	0.6
136.22934	0.6
163.03908	0.9
171.04395	1.4
183.13918	0.7
185.05893	0.8
189.65283	0.7
213.05533	7.8
215.03439	8.5
233.04582	3.1
245.49602	0.7
247.17029	1.2
268.03662	1.1
282.05377	1.2
291.15964	3.1
293.04541	12.9
294.05072	1.1
308.03268	2.4
333.07693	16.5
334.08163	1.2
335.05624	2.2
351.08716	100.0
352.09091	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	351.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67926	0.4
56.40613	0.4
57.12937	0.3
58.22726	0.4
59.01249	2.5
59.53244	0.5
65.00192	1.3
68.99086	0.3
69.65788	1.7
69.66197	0.8
79.05389	0.5
96.95894	0.5
98.20646	0.6
103.04755	0.5
103.05404	0.9
105.06961	0.6
107.04926	2.6
109.02834	1.2
117.03345	0.5
121.02818	0.7
129.07005	3.0
131.04913	1.7
133.02849	11.0
134.03705	0.4
135.04419	7.0
139.03874	0.7
143.04909	0.6
145.02898	0.7
145.06526	0.4
146.03641	0.5
147.04431	0.7
149.02335	1.7
149.06010	2.2
155.04941	1.3
157.02818	0.6
157.99800	0.4
159.04442	1.2
161.02388	0.6
171.04408	0.8
173.05997	2.7
174.03152	0.6
175.03925	1.7
177.01834	0.7
187.03906	0.6
189.05479	0.6
197.06000	1.1
198.03146	0.9
199.03918	2.0
201.01863	1.5
215.03505	0.5
217.04968	2.8
233.09621	0.5
235.07529	1.1
236.08344	0.7
249.05605	0.5
249.09206	0.9
251.07004	0.4
260.08383	0.5
261.09195	0.8
263.07013	1.2
265.08575	0.5
266.58032	0.4
268.03885	0.4
269.04626	0.6
273.35904	0.4
277.08694	1.4
278.09375	0.7
279.10245	0.4
293.04449	0.7
305.08121	1.1
307.06253	0.8
307.09506	0.5
308.03387	0.5
321.04031	1.4
323.09225	0.7
333.07687	8.0
334.08017	0.9
335.05560	4.2
336.06287	1.5
350.07419	0.5
351.08728	100.0
352.09052	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	351.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14450	0.4
53.38851	0.4
55.32351	0.4
59.01017	0.4
59.01252	3.5
65.00194	1.1
69.40964	3.1
71.01266	0.5
79.05379	0.5
85.02798	0.4
93.03289	0.5
107.04894	1.9
109.02830	0.8
113.02282	0.4
121.02876	1.0
123.04430	0.6
127.54443	0.4
129.06979	0.9
131.04945	2.0
132.02037	0.5
133.02852	10.3
134.03174	0.6
135.04410	5.1
139.03871	0.6
143.04895	0.7
145.02853	0.9
145.06483	0.6
147.04430	0.4
149.02365	1.3
149.05992	1.7
155.04907	0.9
159.04410	0.8
161.02336	0.4
173.05992	8.1
174.03214	0.4
174.06342	0.5
175.03900	1.3
187.03853	0.5
197.06020	0.4
199.03912	1.6
201.01892	0.9
217.04988	1.9
235.07451	0.4
236.08331	0.5
241.04886	0.6
263.07498	0.5
268.03723	0.5
269.04575	0.5
277.08716	0.6
307.06323	0.5
307.09747	1.0
321.04022	1.9
323.09222	1.9
333.07547	0.8
335.05591	2.4
336.06403	1.0
351.08716	100.0
352.09030	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	351.0873
Annotation	Semilicoisoflavone B
Peak:m/z	Relative Intensity
53.17376	0.2
54.60723	0.2
57.65989	0.2
59.01238	0.8
65.00200	1.2
74.17513	0.2
79.05380	0.3
79.67831	0.2
107.04900	1.4
109.02811	0.4
129.06967	0.6
131.04912	1.3
133.02843	24.1
134.03172	1.0
135.04483	0.2
145.02838	0.3
149.05991	2.1
155.04839	0.3
171.08011	0.4
173.02365	0.3
173.05998	3.5
174.03128	0.5
175.03928	3.6
187.07538	0.5
197.06012	0.5
198.03218	0.4
199.03897	1.9
201.01862	2.4
203.46382	0.3
215.07056	1.6
217.05008	3.7
263.07086	0.6
264.07553	0.3
265.08682	0.7
291.06604	0.6
293.04495	0.5
296.30240	0.2
307.06094	0.7
307.09747	0.7
308.06897	0.5
309.07819	0.3
321.04016	2.8
322.04309	0.4
323.09277	0.4
333.07751	1.8
335.05609	6.3
336.06351	4.7
337.06628	0.3
351.08713	100.0
352.09055	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	349.1078
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
50.12684	0.5
53.60001	0.4
56.33719	0.4
58.82973	0.5
59.01237	1.4
71.01232	0.6
71.52947	0.6
75.00734	1.0
79.01758	2.1
91.74249	0.5
93.03329	0.6
107.95057	0.5
117.03342	20.9
118.03693	0.8
119.04890	0.6
143.08553	1.3
159.08041	0.5
160.54834	0.5
160.97513	0.6
163.07535	1.4
187.07558	4.8
189.05457	0.6
201.09155	1.0
211.07478	0.8
213.05508	0.7
229.08627	5.4
231.06628	3.9
289.81351	0.5
307.09872	0.5
319.06067	2.5
331.09775	1.8
333.07684	5.7
334.08411	3.9
349.10785	100.0
350.11136	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.8
59.01252	100.0
60.01597	1.1
69.03326	8.1
69.09007	0.7
71.01244	1.5
71.32449	0.9
72.83170	0.6
77.35263	0.6
77.35931	0.7
80.69638	0.6
85.02856	0.7
89.02357	1.2
92.27959	0.6
95.01253	0.7
95.36117	0.6
96.95895	0.9
97.02856	2.2
99.00762	3.1
101.02323	1.6
102.12742	0.6
113.02367	0.9
143.68456	0.7
157.62358	0.6
163.03885	0.8
185.00807	4.2
203.01950	1.9
349.05591	0.9
353.73727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1655
Annotation	Pulchellin diacetate
Peak:m/z	Relative Intensity
59.01248	47.0
71.01252	0.8
71.52315	0.9
81.03321	5.5
108.20998	0.6
166.63641	0.5
191.14302	1.2
201.12759	2.2
219.13971	0.7
245.15434	2.5
258.44974	0.6
261.14932	27.5
262.15244	2.1
265.14349	0.9
269.04608	1.7
279.16028	1.1
289.14383	3.2
305.14230	0.8
307.15494	100.0
308.15839	8.5
349.16318	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	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.95661	0.4
55.01752	0.5
57.03305	0.7
58.00457	1.4
59.01251	38.1
59.21851	0.3
65.86277	0.4
66.07196	0.3
71.01252	18.9
72.99178	1.7
73.02797	1.2
75.00743	0.4
83.01254	1.3
85.02818	5.0
85.99950	0.5
87.00771	1.7
88.94149	0.4
89.02315	14.0
95.01253	1.5
99.00753	0.5
101.02322	11.9
106.48623	0.3
113.02326	6.0
114.01851	0.4
119.03381	5.5
131.03424	0.4
139.11157	1.0
141.12750	30.1
142.13081	1.5
143.03406	0.8
155.14227	0.5
161.04485	0.6
169.12251	4.8
170.12642	0.6
171.13805	1.1
179.05547	0.9
183.13939	2.0
187.13316	55.2
188.13690	2.7
211.60469	0.4
229.14438	1.5
349.18652	100.0
350.18976	8.7
363.29874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	52.8
70.41513	30.8
70.41861	17.7
84.78957	13.7
103.43085	16.0
105.60646	13.6
133.06442	23.3
145.06525	17.2
171.10141	31.3
209.18996	74.3
235.73044	14.8
253.18091	80.1
271.19177	100.0
278.58578	13.9
283.16675	19.5
291.19666	68.7
309.20667	84.3
326.92862	13.9
345.16998	71.5
345.22964	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	9.4
61.98702	100.0
63.43449	2.5
64.48901	2.3
69.73087	9.7
93.58033	2.3
98.19827	2.4
127.13918	2.9
203.02068	2.9
203.99945	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.67756	1.0
54.98736	1.0
55.57938	1.0
57.03311	1.5
58.00468	2.3
59.01251	53.4
62.28601	0.9
65.21851	1.0
67.83339	0.9
69.03319	1.5
69.34606	1.0
70.01722	4.3
71.01253	32.7
72.99178	6.6
76.52892	0.9
83.01279	1.4
85.02818	8.5
87.00746	1.2
89.02316	27.2
95.01263	2.1
96.95904	1.2
99.08018	1.3
101.02319	23.2
101.03000	1.1
113.02323	10.9
119.03393	13.6
139.11243	5.3
139.12125	0.9
143.03410	1.2
149.04422	1.4
167.10692	100.0
168.11075	3.7
179.05566	1.3
185.11768	22.4
274.58124	1.1
347.17099	83.5
348.17496	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47007	15.3
59.01252	27.1
65.13319	14.4
70.73225	46.3
72.94623	14.0
73.31818	13.2
94.95167	14.2
120.25670	14.7
122.70691	14.6
171.10173	24.1
293.21268	47.5
309.20816	23.1
311.22275	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	348.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74476	15.7
59.01241	48.3
69.92998	66.0
71.01232	18.4
98.19891	32.7
113.02345	20.8
125.02298	21.2
132.92639	15.6
133.02855	18.2
139.33185	16.0
151.00212	25.5
154.99837	22.9
159.85201	21.3
159.86722	18.3
174.58946	19.6
215.12444	18.3
285.04022	100.0
315.05161	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	52.8
70.41513	30.8
70.41861	17.7
84.78957	13.7
103.43085	16.0
105.60646	13.6
133.06442	23.3
145.06525	17.2
171.10141	31.3
209.18996	74.3
235.73044	14.8
253.18091	80.1
271.19177	100.0
278.58578	13.9
283.16675	19.5
291.19666	68.7
309.20667	84.3
326.92862	13.9
345.16998	71.5
345.22964	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	345.1706
Annotation	Epirosmanol
Peak:m/z	Relative Intensity
59.01249	2.3
61.98700	0.9
63.34972	0.9
69.23177	0.9
69.23569	1.0
69.89683	3.9
75.41604	0.9
79.62976	0.8
80.63181	0.8
83.04893	2.1
119.04912	4.4
123.08035	21.6
135.04424	4.5
147.04408	17.4
148.05205	5.3
161.06000	1.3
162.03101	1.6
162.06773	1.3
165.00052	1.8
187.07593	6.6
191.03415	12.9
194.05742	1.8
201.09134	1.7
206.05815	1.9
211.07480	1.5
213.09138	3.6
225.09171	9.4
227.10706	19.3
228.11392	3.1
238.04773	3.7
243.13881	3.2
245.08202	1.2
257.08060	2.0
269.08176	0.9
269.15436	2.2
271.09766	17.9
271.13373	21.1
272.10336	1.1
283.17209	1.4
286.15714	4.3
301.18103	19.9
302.18607	1.9
313.14423	4.0
315.12366	4.7
330.14706	11.5
345.17032	100.0
346.17365	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0826
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.02240	0.6
59.01245	1.2
65.00196	2.6
71.01232	2.2
81.03279	0.8
85.02807	1.2
97.02845	2.4
113.02317	1.2
118.64626	0.8
121.02851	1.5
124.01552	69.0
125.01878	2.3
131.83774	0.7
133.01344	1.1
139.03912	91.3
140.04211	2.1
149.99498	0.8
165.00497	1.4
165.01854	26.1
166.02324	1.1
168.00597	0.9
169.01564	0.8
169.52116	0.9
183.02908	100.0
184.03227	4.8
345.08224	22.7
346.08740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01759	1.0
57.03313	1.1
58.00466	3.5
58.47912	0.5
59.01250	64.2
61.71666	0.6
69.03320	1.3
69.30064	0.5
69.30353	4.9
71.01253	39.9
72.99168	5.3
73.02821	2.1
83.01231	3.1
85.02826	9.8
87.00774	1.6
89.02315	32.3
95.01275	3.8
95.04865	0.7
96.95884	0.9
98.20831	0.6
99.00763	1.4
101.02325	24.4
109.02885	0.9
113.02317	11.9
116.40730	0.6
117.03349	0.7
119.03382	14.8
119.08569	1.2
121.10120	49.2
122.10460	1.8
124.01526	0.7
131.03415	1.1
137.09610	10.5
143.03397	1.4
145.02881	0.8
149.04483	0.8
151.00288	0.8
161.02367	0.6
161.04477	1.1
165.01910	0.8
165.09122	79.7
166.09468	3.9
175.03949	0.7
179.05536	1.6
183.10182	46.9
184.10597	1.9
206.10884	0.5
225.11354	2.0
282.55048	0.6
285.04065	1.4
298.19418	0.5
313.03625	0.8
314.04245	1.3
345.06448	2.0
345.15530	100.0
345.22571	2.7
346.15860	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	345.1705
Annotation	Epirosmanol
Peak:m/z	Relative Intensity
50.15708	1.4
57.49599	1.5
59.01237	4.7
63.29865	1.5
68.51141	1.4
71.52901	1.8
78.62385	1.5
80.96409	2.6
107.56670	1.4
119.04875	1.7
121.02798	2.0
121.47668	1.5
138.03131	1.8
139.03903	5.1
147.04434	5.1
148.05183	9.5
149.02313	3.5
150.03139	1.8
151.00316	2.0
159.04419	2.3
161.05974	4.5
162.03139	4.1
165.01788	4.0
172.23650	1.6
180.04123	3.3
183.08179	1.8
185.06004	2.2
187.07730	2.1
188.08369	2.7
189.09093	3.1
189.12587	1.5
191.03409	6.9
199.07626	1.9
201.09137	53.8
202.09457	3.8
215.10753	5.6
216.11537	3.5
217.08643	3.1
238.04942	2.1
245.08139	19.0
259.09741	2.4
286.15750	8.1
288.13794	1.7
301.18088	17.4
313.14520	2.6
330.07632	1.9
330.14694	9.7
345.10394	16.4
345.17044	100.0
346.17416	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	345.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49410	0.8
53.15401	0.8
57.03307	0.9
58.04640	0.7
58.66477	0.9
59.01242	2.5
64.28846	0.8
65.00191	6.6
68.01293	0.9
69.98984	3.0
71.01241	2.6
72.99166	2.2
74.27342	0.7
78.67558	0.8
79.01778	1.6
79.88989	0.9
83.01240	4.0
85.02837	2.3
89.02283	0.8
93.03339	4.4
95.01238	1.3
97.02825	2.0
98.20463	1.6
99.00756	1.2
107.01261	11.3
109.02842	3.1
111.01898	1.2
113.02293	1.2
121.02840	50.1
123.00771	3.1
124.01563	4.5
125.02345	4.4
137.02327	1.4
138.03108	1.0
139.03912	9.4
141.01804	3.4
145.09787	0.8
151.00267	100.0
152.00612	3.6
152.73178	0.8
165.01839	5.9
166.99762	3.9
169.01326	74.3
170.01656	2.6
182.02118	1.1
183.02898	4.2
195.56801	0.8
202.22684	0.7
207.02898	3.1
213.05103	1.3
225.03917	4.0
301.05707	1.0
327.03781	0.9
327.07178	5.2
330.06418	0.9
345.04556	15.8
345.08368	9.2
346.04694	1.5
346.08414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46032	2.0
58.00468	1.8
58.02835	2.1
59.01238	5.7
60.04414	10.7
64.92924	1.7
70.02851	9.7
71.01272	2.3
71.53800	2.6
72.00780	2.3
86.02359	13.5
88.03912	100.0
89.38628	1.9
94.77399	1.5
100.03920	94.9
104.03393	2.0
107.81796	1.8
123.77891	1.7
151.00304	1.5
161.76663	2.0
187.77608	1.8
190.03181	1.6
223.20869	1.7
225.22247	12.7
248.23718	2.2
253.21710	12.9
255.23253	22.3
256.23553	2.2
267.23270	35.2
268.23627	2.5
278.24893	5.0
280.26468	2.9
284.26004	7.3
308.25974	20.5
312.25479	7.6
314.03976	3.8
316.28607	9.1
326.27042	2.7
344.08734	4.3
344.28094	68.0
344.95316	1.8
345.28314	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.54024	0.4
59.01246	3.4
69.03327	1.3
69.93717	1.8
71.01257	0.8
83.04909	0.8
85.02865	0.6
85.22443	0.4
89.02319	0.5
95.04905	0.4
95.31790	0.4
97.06454	1.0
98.20528	0.7
98.50477	0.4
99.08040	8.0
101.29436	0.4
113.09596	0.6
121.02820	0.4
121.10107	4.0
125.09596	1.8
127.11170	1.2
137.09607	2.0
139.11206	0.9
149.13284	0.7
151.11142	0.5
153.09082	0.5
160.58372	0.5
165.09166	0.6
171.10182	31.3
172.10515	1.6
175.11198	0.7
193.04779	0.5
193.08641	0.7
193.12285	11.3
194.12592	0.8
207.13754	0.5
207.23393	0.5
211.13373	3.2
218.20509	0.4
225.14903	18.7
226.15231	1.8
243.16002	7.2
244.16379	0.7
248.73267	0.5
263.94934	0.5
270.01614	0.7
285.04041	0.7
293.21152	2.5
311.02094	1.0
311.22260	0.9
313.03580	3.0
325.23914	0.6
328.05792	0.6
343.08389	3.0
343.24878	100.0
344.08719	0.6
344.25201	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36554	0.5
51.41901	0.5
53.45449	0.6
59.01251	5.4
65.42622	0.5
65.51464	0.6
69.03326	0.8
70.73187	1.2
71.01242	2.1
76.32182	0.7
83.04898	1.3
83.95694	0.6
89.02315	0.8
97.02843	0.6
99.08022	7.1
101.02337	1.1
107.11299	0.7
113.02316	0.7
121.02839	1.6
121.10113	4.1
123.00744	1.4
125.09592	1.8
127.11167	0.9
135.04424	1.0
137.09618	1.3
139.11195	1.2
142.25430	0.6
170.53427	0.6
171.10182	27.7
172.10551	1.1
175.11200	1.0
193.12259	13.2
197.15459	1.0
211.13362	3.4
224.78174	0.6
225.14899	17.3
226.02722	0.7
226.15263	1.9
242.02045	0.8
243.15974	6.4
258.35153	0.6
270.01782	1.1
285.03998	1.3
289.18005	0.8
293.21317	2.4
311.22198	1.0
313.03485	4.6
325.24036	1.2
328.05600	1.5
343.04568	1.1
343.08188	5.4
343.24872	100.0
344.08572	0.8
344.25226	11.2
353.18176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	11.2
69.75516	8.5
70.01105	1.8
71.01251	2.7
83.01208	1.9
95.01270	5.8
98.19865	2.1
101.02344	2.1
109.02785	1.8
121.02828	4.1
123.00774	100.0
124.01582	33.4
124.18355	2.0
137.02321	3.0
138.03133	66.9
139.00279	2.7
139.03923	53.5
140.04219	3.0
151.03896	2.9
166.02681	2.8
169.60307	1.8
181.04948	3.9
193.05016	3.4
313.03699	4.0
328.05750	2.0
343.08154	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.9
61.98726	0.9
70.67355	1.9
71.01253	2.1
80.37610	1.0
83.04888	0.8
83.64426	0.8
89.02316	1.9
93.14070	0.8
95.01240	0.9
101.02312	1.2
119.03374	1.2
121.02824	1.6
121.10114	9.7
123.00811	1.7
123.08033	1.0
125.09629	1.4
127.11156	3.2
137.09581	2.4
138.03107	1.0
139.03806	1.0
139.11176	8.6
147.86325	0.8
154.34641	0.8
165.09161	1.7
169.21797	0.8
171.10176	75.0
172.10507	2.8
178.91125	0.8
202.09920	1.6
215.35083	0.9
218.09506	0.9
226.02620	1.1
242.02274	1.4
261.11282	3.2
270.01642	2.1
285.03973	3.2
293.21024	1.6
313.03613	6.0
327.04886	1.0
328.05872	1.5
343.08237	9.9
343.24875	100.0
344.08469	1.3
344.25226	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	343.0823
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01242	2.0
61.06131	0.4
64.50648	0.4
65.00185	0.4
69.03333	0.4
69.25679	3.3
71.01251	0.7
89.02302	0.5
95.04919	0.6
97.02841	0.8
97.06474	0.5
109.02834	0.7
109.52496	0.3
111.00750	1.3
121.02837	0.9
133.02837	1.0
135.92242	0.4
161.02319	0.7
162.03024	0.4
163.03908	1.7
165.01833	1.3
171.10187	1.7
183.04434	0.9
185.02316	0.8
186.03120	0.4
198.03159	2.3
199.03828	0.6
211.03813	0.6
213.01846	0.5
213.05559	1.0
214.02638	1.3
215.03229	0.6
225.01865	1.2
226.02669	6.4
227.03409	2.7
241.05014	4.1
242.02115	8.0
243.02505	0.6
253.01395	1.0
253.05057	0.5
254.02118	1.6
255.02933	2.7
256.03607	0.9
256.07297	0.8
257.04532	2.9
269.04486	1.4
270.01691	7.3
271.02371	0.5
281.04611	0.5
283.02393	1.2
284.03256	1.1
285.04022	45.5
286.04373	3.3
297.04019	0.8
298.04697	0.8
299.05563	5.0
300.06290	4.9
311.05521	0.5
313.03522	68.4
314.03854	6.3
325.20078	0.5
327.05121	2.9
328.05850	36.3
329.06277	3.5
343.08194	100.0
343.21207	4.1
344.08511	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0458
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.03302	0.7
59.01244	3.0
63.02267	1.3
65.00193	3.9
69.87456	1.8
71.01253	1.0
78.07999	0.4
79.01794	0.6
83.01253	2.4
83.04897	0.5
93.03368	0.6
107.01277	6.3
109.02816	0.5
111.00732	0.5
114.50420	0.5
119.04887	0.7
119.33246	0.5
121.02853	1.4
125.02332	0.8
129.03380	0.4
133.02771	0.6
135.04411	1.7
136.01527	0.5
137.02333	1.2
138.03145	0.6
146.03627	1.0
147.04414	27.5
148.04721	1.3
149.02400	2.2
151.00267	12.1
151.03943	1.1
161.02318	1.3
174.03090	0.5
177.01813	0.6
181.04959	1.6
189.05478	3.2
207.02939	1.1
212.04515	0.7
213.05533	3.4
215.03427	1.9
215.79857	0.5
227.03450	0.6
227.07030	0.7
231.06575	1.7
237.05475	0.5
240.04317	0.5
255.06514	0.6
257.04553	1.0
271.06122	0.8
283.02463	0.5
284.03268	1.1
285.04117	1.9
299.05597	100.0
300.05954	8.1
313.03561	2.2
328.06042	0.6
343.04550	1.9
343.08270	4.2
343.11493	0.6
343.21219	4.1
344.04428	0.4
358.31900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.082
Annotation	(+)-Usnic acid
Peak:m/z	Relative Intensity
51.08374	0.4
51.12957	0.3
55.01748	0.5
55.10245	0.4
59.01256	2.0
59.01502	0.4
62.07627	0.3
70.22733	1.1
79.01758	3.4
79.95605	2.4
80.96391	2.0
83.01244	0.6
83.01999	0.3
85.02812	1.5
89.02342	0.4
98.20551	0.5
101.02348	0.4
109.02830	2.0
117.14713	0.3
119.04926	0.5
121.02840	1.0
123.00750	0.5
123.04368	0.6
125.02375	0.4
132.02095	0.5
133.02841	21.4
134.03416	0.7
135.04390	1.6
137.02318	0.4
138.03073	0.3
141.05435	0.5
145.06398	0.4
147.04362	0.6
149.02251	0.4
149.05949	1.0
153.01834	0.6
161.05977	0.8
163.03889	0.8
165.01796	1.6
165.05467	1.9
175.03957	1.9
177.01794	0.5
177.05518	2.1
179.03337	0.4
180.52663	0.3
181.08702	0.3
189.05476	2.7
191.03409	2.0
192.07727	0.4
193.01321	0.4
197.05914	0.4
200.01170	0.3
201.01811	1.3
205.04988	0.5
207.06569	0.9
209.04466	2.0
211.03909	0.6
212.04771	0.4
213.05466	2.0
224.04756	0.4
225.05496	1.0
235.53200	0.3
237.05432	0.3
239.06958	0.5
240.04379	0.4
241.04933	0.4
242.02179	0.4
248.06851	2.6
253.04836	0.5
253.08723	0.5
254.05772	0.5
255.06438	0.4
256.03610	0.5
257.04541	0.5
263.09216	1.9
266.85681	0.3
268.07251	0.5
269.08286	0.6
270.01776	0.4
281.08151	0.9
283.06097	0.6
285.04013	0.7
285.07394	0.4
293.67764	0.4
297.03976	1.0
297.07428	0.5
298.04797	5.9
299.05380	1.4
299.09119	0.4
311.05594	2.1
312.06348	4.5
313.03577	1.4
313.07095	12.0
314.07486	0.9
325.07138	18.5
326.07437	1.9
328.05984	0.4
343.04901	4.4
343.08206	100.0
343.21289	1.5
344.04562	0.8
344.08539	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25837	1.6
52.98493	1.8
59.01249	100.0
71.52323	1.6
77.24723	1.4
113.04531	1.7
113.05364	1.4
157.03436	5.7
159.01306	3.3
159.45689	1.5
174.51001	1.4
201.02472	64.2
202.02621	5.2
313.03479	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14191	0.6
57.03327	0.9
58.03070	0.8
58.94455	0.6
59.01249	15.4
69.03315	2.8
71.01273	9.8
71.01661	1.4
79.05412	0.9
80.00194	0.6
83.04868	0.8
84.02038	13.5
85.02805	1.8
87.00742	0.7
89.02325	10.8
97.02844	4.1
97.06473	9.5
98.20382	0.7
99.04378	3.6
101.02338	4.1
113.02329	3.4
119.03413	3.3
119.08585	1.4
125.09648	1.2
127.11195	0.7
136.32570	0.8
141.37473	0.7
143.03365	0.9
161.04382	1.2
165.12700	0.7
166.16789	0.7
171.10181	25.7
172.10431	0.8
179.05505	4.4
183.13783	4.8
193.12271	13.1
196.21498	0.7
197.15338	1.0
200.21770	0.7
211.13339	6.1
221.11755	1.0
225.14909	17.1
226.15207	0.8
243.15948	7.8
253.14528	1.4
266.45679	0.6
291.19562	1.9
305.20923	0.9
341.10754	4.7
341.23297	100.0
342.23660	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	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	0.6
59.01250	14.3
60.01583	0.3
62.95473	0.2
68.01282	2.5
71.01250	1.2
71.52923	0.2
73.02809	0.3
83.01270	0.3
85.60387	0.2
89.02322	0.6
90.02714	0.2
92.99026	0.2
93.03322	0.3
95.01293	0.2
95.04891	0.3
101.02309	0.5
109.02838	0.8
109.03526	0.2
110.05994	0.3
113.02317	0.3
121.02853	0.3
122.02393	0.9
122.06007	0.5
123.03157	7.9
124.07545	0.7
124.08337	0.2
125.02343	0.2
125.05971	0.2
133.02867	1.1
135.04424	0.6
136.07600	0.5
137.02368	0.4
137.04730	1.0
137.05629	0.2
138.05507	100.0
139.04025	0.2
139.05865	3.5
145.16565	0.2
145.82256	0.2
149.02350	0.5
150.05452	0.2
152.03526	0.3
152.07085	0.9
159.21577	0.2
161.02330	0.2
163.00281	0.4
163.03961	0.3
165.01833	0.7
167.05760	1.0
177.01866	0.3
179.91887	0.2
180.06578	5.1
181.01242	0.2
192.06590	0.5
193.01352	0.5
207.02954	0.5
222.07736	0.4
225.05505	0.3
282.09888	1.0
297.04022	0.8
299.05634	0.6
300.02798	0.3
300.10886	2.3
301.11328	0.2
313.03500	0.3
314.03952	0.2
325.03473	0.5
338.05298	0.2
342.11893	8.1
343.04541	4.6
343.08218	0.3
343.12198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03329	1.4
58.00459	1.8
59.01250	100.0
60.01580	1.1
71.01253	51.7
71.02321	1.9
72.01591	1.4
72.99181	2.2
73.02819	32.5
78.33066	0.8
81.03339	1.0
83.01264	8.0
85.02824	12.9
87.00735	1.1
89.02324	23.1
95.01246	3.7
99.00754	1.7
101.02325	29.5
113.02332	24.3
117.82927	0.8
119.03496	6.9
119.04913	40.4
120.05238	1.5
123.03040	1.1
129.89429	0.9
131.03365	2.1
135.04422	8.4
136.01567	0.8
137.02328	15.1
137.05957	2.4
138.04585	1.3
138.05498	10.9
143.03322	2.2
143.94583	0.9
155.77319	0.9
161.04436	4.6
179.03397	7.1
179.05515	3.8
281.10333	12.5
291.63910	0.9
299.11252	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.17250	0.4
55.01740	0.4
57.03313	0.5
58.23588	0.4
58.23923	0.4
59.01251	20.1
71.01253	11.6
71.32404	0.7
71.32759	0.4
73.02827	4.3
74.63970	0.5
83.01263	1.7
85.02831	3.4
87.00773	1.1
89.02320	8.2
95.01250	0.5
101.02316	6.7
109.02803	0.7
113.02313	5.3
115.36838	0.5
119.03396	2.9
119.04906	6.0
119.30807	0.5
120.05322	0.5
123.03143	1.0
125.02329	0.6
135.04411	10.1
136.01570	1.5
137.02341	100.0
138.02692	3.2
138.05511	11.1
143.03377	0.9
161.04468	1.1
179.03424	12.8
179.05508	1.7
281.10284	2.8
299.11371	0.6
341.08301	5.8
342.09033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
54.15279	0.7
57.03320	0.7
59.01247	15.8
71.01254	12.5
72.99167	1.5
73.02821	0.8
85.02811	4.9
89.02315	14.1
93.03350	1.5
101.02320	6.2
107.04913	1.6
111.00779	1.0
113.02334	4.1
116.97851	0.6
119.03380	5.2
119.04897	1.1
123.03158	0.8
129.01808	1.0
134.03624	2.9
135.04410	90.6
136.04776	3.4
137.02315	2.5
138.05513	4.2
139.09892	0.8
143.03403	1.2
150.13928	0.8
152.01057	0.9
161.02309	2.4
161.04477	1.7
179.03415	100.0
179.05414	3.7
180.03786	4.7
208.38092	0.7
223.04532	2.5
341.08789	7.4
341.11249	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49280	0.7
58.00475	1.4
59.01248	31.7
69.03345	0.8
69.56334	0.7
71.01251	25.9
71.53313	1.0
72.01559	0.9
72.99200	1.5
73.02818	1.2
74.43811	0.7
79.95605	74.2
80.96384	2.2
83.01277	0.9
85.02829	3.7
85.73792	0.7
87.00740	2.0
89.02315	25.1
95.01279	1.4
99.78303	0.8
101.02332	11.9
103.97253	0.8
108.71954	0.7
113.02335	9.5
114.41328	0.7
119.03386	8.5
119.04897	1.7
122.03593	0.7
125.02282	0.9
131.03392	1.5
131.08583	1.6
134.05989	1.2
135.04463	1.6
143.03403	3.3
149.04413	1.0
150.03148	3.1
151.00337	0.7
161.04485	2.9
163.03937	5.1
171.10237	1.3
175.03931	2.3
175.07571	1.7
178.06241	1.5
179.05542	10.6
187.07471	1.0
189.05495	9.2
190.09871	0.8
191.03409	2.5
203.07069	13.6
204.07480	1.0
213.05705	0.7
218.09406	4.2
231.06589	9.7
232.06935	1.1
245.08200	2.3
246.08928	73.8
247.09293	4.2
261.11285	18.1
262.11758	1.4
311.93292	0.8
323.09241	1.1
326.04514	1.8
326.11664	1.2
341.06998	100.0
341.10843	14.3
341.19720	3.8
341.23599	2.1
342.07324	8.2
342.10928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
71.44116	0.5
147.08018	0.4
163.11191	100.0
164.11528	5.2
183.01163	1.1
221.19893	0.3
236.14160	0.3
339.20105	2.8
339.23282	62.1
340.19821	0.7
340.23593	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	341.0665
Annotation	Dipteryxine
Peak:m/z	Relative Intensity
50.76306	0.9
55.02231	1.1
57.03319	1.3
57.47939	0.9
58.00463	1.8
59.01251	43.5
65.00196	1.2
69.24396	2.5
69.24818	5.8
71.01251	33.7
72.99200	2.9
73.02829	1.4
75.97068	0.9
79.01753	3.1
81.03336	1.1
83.01250	2.6
83.04936	1.2
85.02813	5.9
87.00758	1.9
89.02316	38.8
90.02674	1.2
91.05408	1.4
93.03352	2.9
95.01276	2.3
95.04912	1.5
98.20628	1.2
101.02310	16.6
104.78140	0.9
109.02858	4.0
110.54621	0.8
111.04357	1.5
113.02326	13.3
117.03356	4.3
119.03391	13.5
119.04926	4.3
121.02859	2.2
123.04411	1.2
128.97429	1.0
131.03416	2.1
131.04871	1.0
133.02847	15.9
133.06487	1.3
134.03662	1.8
135.04427	6.7
137.02374	1.5
139.03865	1.0
143.03430	3.3
145.02872	1.3
149.02312	1.6
149.04420	1.0
149.06012	2.0
151.04004	0.9
161.02356	2.1
161.04495	4.2
161.05833	1.1
162.03157	1.2
163.03915	2.0
171.10207	1.0
175.03967	2.8
177.01884	2.2
177.05548	3.4
179.03436	2.8
179.05536	14.5
179.06973	1.4
201.11186	1.2
205.04996	1.2
209.06091	1.3
209.11726	9.0
211.04001	1.1
213.05559	1.7
227.12808	1.7
253.08708	1.3
255.06485	1.2
265.14648	1.1
295.06195	1.4
297.04263	2.2
297.07657	53.0
298.04837	10.8
298.08060	4.7
299.05084	1.6
311.05600	1.8
312.06421	3.8
313.07150	16.1
314.07709	1.2
323.18768	3.0
341.06711	100.0
341.10815	15.3
341.19727	6.2
341.23300	1.7
342.07025	11.1
342.10886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82170	0.6
59.01241	2.9
62.26558	0.5
63.02284	2.9
65.00194	9.0
67.43266	0.5
70.27336	1.8
71.01247	0.9
93.03339	6.4
98.20415	0.6
107.08515	0.9
109.03583	0.6
109.06494	4.5
119.04910	75.8
120.05243	3.2
129.07004	0.9
131.08521	2.9
133.06485	21.6
135.04404	1.2
136.01540	1.4
137.02336	1.1
145.02887	1.1
147.08043	0.7
149.05977	0.8
150.38803	0.6
151.07536	9.0
159.04428	0.7
161.02324	0.8
163.11198	1.0
164.01021	0.8
167.15099	0.7
175.07536	7.7
176.01059	7.2
177.01804	1.4
183.01080	0.8
187.03918	1.1
191.07106	1.9
193.08650	1.1
219.06563	51.8
220.06909	3.7
222.01659	1.4
233.08200	3.2
237.07597	2.1
245.08171	4.1
339.12341	100.0
340.12671	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	339.1235
Annotation	Arugosin I
Peak:m/z	Relative Intensity
54.41226	0.1
59.01237	0.6
65.00192	0.5
71.44331	0.2
79.53162	0.1
86.14473	0.1
91.01756	0.3
91.05406	0.2
100.31577	0.1
101.53188	0.1
104.02582	0.2
107.04911	0.7
107.05569	0.1
108.02016	0.1
109.02852	0.2
109.06473	1.8
117.03332	0.2
118.61880	0.1
119.04919	2.2
120.05312	0.1
125.35439	0.1
131.08554	0.9
133.02859	0.4
133.06471	0.3
134.03644	2.4
135.04414	100.0
136.01584	0.2
136.04744	3.7
137.27438	0.1
148.01559	0.5
157.06464	0.3
159.04485	0.2
159.08063	4.2
160.08366	0.3
161.02380	1.5
171.10231	0.2
175.07568	1.9
177.09174	0.6
180.00500	0.2
183.01147	0.3
201.05475	0.5
203.07071	11.7
204.07387	0.9
221.08138	25.8
222.08472	1.9
268.15536	0.1
270.05307	0.4
311.96057	0.1
321.11285	0.6
321.20743	0.2
339.12357	18.5
340.12686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81107	1.0
59.01255	7.3
62.38556	0.9
63.02265	2.2
65.00193	9.6
68.99704	1.8
70.03870	3.8
71.01254	1.7
83.01287	2.3
88.06406	1.1
93.03324	5.2
97.26606	1.1
98.19910	1.0
108.02042	1.2
109.06489	5.2
117.03368	1.0
118.96745	0.9
119.04915	87.0
120.05257	3.4
131.08592	2.5
133.06487	29.3
134.06784	1.3
135.04401	1.1
143.04976	1.6
145.02849	3.0
147.08020	2.2
149.02257	1.0
149.05978	2.0
151.07550	7.6
159.04459	1.4
161.02303	1.7
161.06041	1.0
163.11223	1.8
175.07544	9.6
176.01060	6.8
183.01134	16.2
184.01437	1.3
185.06033	1.2
187.03911	3.5
191.07115	1.2
193.08653	1.2
219.06572	57.5
220.06938	4.5
233.08160	4.5
237.07735	1.6
245.08197	3.2
269.04544	1.2
270.05310	2.6
279.10815	1.2
295.13208	2.1
296.58279	1.0
339.12335	100.0
339.16315	23.8
339.25421	5.1
340.12732	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	339.072
Annotation	3-O-beta-D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
53.62047	6.4
54.23826	6.3
59.01254	50.3
59.07745	6.9
63.21570	6.9
71.01252	14.7
71.52653	8.2
73.02856	6.9
86.35081	8.3
87.00756	9.1
97.02779	8.4
101.02341	8.0
109.02842	29.7
119.04891	6.9
121.02848	7.6
125.02325	23.2
133.02846	26.1
135.04439	42.9
137.02350	14.5
147.04401	59.5
148.05177	18.5
149.05994	72.0
161.02341	48.7
161.05992	29.3
163.03903	14.5
173.05978	10.3
174.03114	12.4
175.03963	59.6
176.04659	11.1
177.01872	30.2
177.05487	12.5
185.04355	12.5
187.03879	10.2
189.05498	63.6
191.03476	12.7
191.07097	35.6
193.05043	7.7
203.07123	17.4
205.04909	13.4
217.04985	47.9
219.02899	32.9
221.04430	20.2
224.45662	8.3
235.06044	49.1
237.04024	27.1
277.07101	8.2
279.05093	37.7
295.08325	37.0
339.07129	100.0
340.07477	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76214	0.7
59.01254	1.2
65.07700	0.7
65.63669	0.7
69.70731	0.8
69.99874	1.6
70.00247	2.3
73.70731	0.8
76.28489	0.7
79.95611	9.3
81.43674	0.7
95.95102	2.4
96.95888	78.9
122.97446	2.9
123.92633	0.9
129.61082	0.8
133.61682	0.8
136.39496	0.8
143.91969	0.7
215.78038	0.8
337.20520	100.0
338.20834	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	337.108
Annotation	Crotalarin
Peak:m/z	Relative Intensity
59.01240	0.6
62.81918	0.2
63.02269	0.3
65.00190	1.5
67.22984	0.2
69.50173	1.6
109.06494	0.6
109.53587	0.2
117.03344	18.8
118.03662	0.6
119.04894	0.6
131.08536	0.4
133.06488	3.0
135.00783	0.3
148.01526	0.7
149.02293	0.4
151.07573	1.3
159.04404	0.8
161.02348	3.9
162.03006	0.4
163.00267	2.2
169.97725	0.3
173.02388	0.3
174.03163	1.0
175.00336	0.3
175.07558	0.8
176.01071	1.4
177.01682	0.3
183.04390	0.3
189.09138	0.5
217.08594	2.5
219.06563	4.6
220.06903	0.3
225.05640	0.6
237.05649	0.4
239.03499	0.3
240.04298	0.4
249.05606	0.3
250.06320	0.3
253.05043	1.2
254.05798	0.6
267.02994	0.5
268.03748	2.2
269.04233	0.4
281.04556	8.3
282.05255	2.9
293.04565	10.8
293.07852	0.5
293.11685	0.5
294.05267	2.9
295.09857	0.5
304.78610	0.3
314.04300	1.9
321.07840	0.5
322.08502	0.3
335.09137	0.5
337.10806	100.0
338.11145	9.7
353.26468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14446	1.3
57.86993	1.8
59.01251	100.0
66.19400	1.4
71.01237	2.8
71.07980	2.4
72.99197	2.4
85.02840	6.6
99.00777	2.6
111.00784	1.7
121.94727	1.4
125.02334	3.7
145.02750	1.9
163.03903	2.0
191.05557	2.9
198.33832	1.4
231.06615	1.5
296.27686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01241	2.2
60.99162	0.4
67.01756	0.6
69.03316	0.4
69.78816	1.3
70.53522	0.3
71.01254	1.3
72.23773	0.3
72.99176	0.3
73.02811	0.5
81.79149	0.2
83.04892	0.3
85.02821	7.8
86.03188	0.4
87.00740	2.6
89.02314	0.4
93.03333	6.7
95.85033	0.2
98.17887	0.3
99.04375	0.3
101.02343	0.3
109.02818	0.4
111.04395	1.8
113.02314	0.3
119.04919	2.0
126.69934	0.3
127.03890	1.8
143.03395	0.3
145.02835	0.9
160.38074	0.2
160.74942	0.3
163.03931	2.0
168.66182	0.2
171.02832	0.4
173.04451	2.1
191.05534	100.0
192.05891	3.8
337.09357	1.9
337.15134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1081
Annotation	Glyinflanin B
Peak:m/z	Relative Intensity
59.01251	4.4
65.00195	1.3
71.01243	0.8
71.40766	0.6
71.52789	1.0
84.69744	0.7
87.16384	0.6
98.44753	0.8
107.04958	1.1
109.60079	0.7
112.18640	0.7
113.02307	0.7
119.04906	0.9
134.03627	2.1
135.04411	100.0
136.04736	4.1
157.06465	3.5
159.04402	0.7
175.07565	0.8
201.05521	5.1
201.91344	0.7
219.06567	10.0
265.55060	0.6
319.09875	1.9
337.10815	37.2
337.21567	2.3
338.11029	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	16.1
67.01745	9.6
71.01225	7.3
71.52682	6.5
81.03320	14.2
83.01257	10.7
85.02826	20.9
87.00751	8.0
95.01220	8.1
97.02813	6.8
99.00783	8.8
109.02848	28.8
111.00781	44.2
113.02325	5.8
119.04881	6.5
123.00778	10.3
125.02311	70.9
127.00223	11.0
137.02350	30.3
139.00275	30.2
139.03902	15.8
141.01843	28.7
145.02910	9.1
151.00253	5.9
151.03935	9.3
153.01845	100.0
154.99783	24.2
157.83015	5.3
161.02403	8.2
163.03915	15.1
165.01860	40.0
166.02551	11.5
167.03436	10.0
173.02321	6.4
175.03896	7.0
177.01843	35.9
179.03435	5.6
181.69844	4.7
183.02866	11.4
187.03938	8.0
191.03397	29.3
191.05170	7.7
193.01324	13.4
197.04471	6.1
205.05013	9.6
209.04515	10.5
215.03494	7.7
217.01378	12.9
219.02859	7.2
233.04417	10.0
236.53781	5.1
247.05888	5.4
251.05522	5.9
257.04495	7.5
275.05606	14.7
277.03568	9.7
319.04642	20.3
337.05542	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01743	0.9
59.01253	7.2
59.36181	0.8
68.99688	3.5
69.03312	1.7
71.01252	6.2
71.09343	1.1
72.99179	1.3
73.02819	1.6
75.00735	2.4
78.95773	15.9
79.95567	0.7
83.01250	2.4
85.02824	10.7
87.00735	4.9
89.02310	2.6
90.03727	0.8
93.03353	1.0
95.01237	2.3
96.95878	1.6
96.99198	0.9
99.00742	5.0
101.02313	3.5
108.25885	0.6
109.02842	0.9
110.98408	16.6
111.00751	2.6
111.01882	27.0
112.98662	0.8
113.02338	8.5
113.99467	15.5
115.00256	8.1
125.02374	1.0
127.00238	2.7
127.32697	0.7
129.01859	3.8
137.02321	2.8
139.00291	1.0
152.99487	2.5
157.01317	5.6
161.04509	0.8
169.01381	1.4
174.01605	21.3
175.02388	7.5
206.67706	0.7
277.05621	17.5
277.08258	0.8
294.03842	1.3
337.04379	6.9
337.07770	100.0
338.08130	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0922
Annotation	atalantoflavone
Peak:m/z	Relative Intensity
52.98505	0.5
59.01237	0.7
62.76005	0.5
65.00179	2.7
67.01746	0.5
69.32199	3.6
71.01244	0.7
79.05415	0.8
91.23902	0.5
93.00124	0.5
93.03327	0.6
98.20648	0.9
103.05399	1.3
105.06953	0.8
107.04893	1.4
117.03348	29.7
118.03664	1.3
129.06981	0.7
131.04909	2.3
145.06493	1.5
147.04315	0.6
149.05949	2.4
159.04399	1.7
171.08052	0.7
172.05121	1.0
173.05995	5.5
175.03970	0.7
183.04446	0.7
185.02414	0.6
187.07541	0.9
197.06059	1.1
199.03874	1.0
215.07086	8.2
217.05006	7.0
275.07227	0.7
277.05170	0.8
291.06723	1.5
291.10303	0.9
292.07245	1.5
305.04623	1.4
317.08212	1.8
319.06125	3.6
320.06879	3.5
335.09241	100.0
336.09531	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10199	0.5
59.01250	1.0
66.20219	0.6
68.95325	0.5
69.38280	1.6
69.38696	2.1
71.01237	0.6
78.03362	0.9
78.95773	0.7
80.04916	0.8
85.02828	3.2
92.04926	1.7
94.06494	4.5
95.39851	0.5
96.95875	1.8
101.02299	0.7
104.04945	2.9
105.03328	2.4
106.06517	12.1
107.03653	1.0
108.04435	1.5
109.02856	0.6
112.22916	0.6
120.04445	5.6
121.05218	1.6
122.06013	15.8
123.03198	2.4
124.07555	0.8
131.03664	0.8
132.04454	7.3
135.03198	0.7
136.03917	0.7
138.05513	23.9
139.05835	1.0
148.03943	0.8
150.05518	2.7
156.55553	0.5
161.02310	0.7
164.08733	0.5
174.12833	0.6
189.07802	0.8
202.08871	0.5
202.62671	0.5
213.06677	0.7
215.11867	1.6
217.07401	1.8
219.59038	0.5
227.11775	0.6
228.09030	0.6
229.09837	0.7
231.08971	0.6
231.11266	1.0
241.09787	2.4
243.11365	1.8
257.71008	0.5
259.10980	0.9
271.10916	0.7
289.11942	100.0
290.12268	7.7
333.06689	1.1
333.10632	6.5
333.13657	1.1
354.81180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0922
Annotation	Carpachromene
Peak:m/z	Relative Intensity
52.78508	0.5
59.01241	0.8
61.55887	0.5
65.00188	1.3
66.22238	0.4
68.69513	0.5
71.53195	0.7
73.52261	0.5
84.09924	0.4
93.03336	0.7
107.04900	1.7
109.07404	0.5
117.03343	19.9
118.03662	1.2
129.07013	0.8
131.04921	2.2
131.64682	0.5
149.05981	2.2
159.04427	0.8
173.05963	5.4
175.03954	0.7
185.02379	0.9
187.07619	1.0
197.05922	0.8
199.03963	1.3
215.07086	4.4
216.07417	0.6
217.04953	5.2
274.05893	0.5
275.07346	0.5
277.04895	0.5
291.06708	0.5
291.10367	0.6
305.04578	3.2
317.08295	1.4
319.06052	6.9
320.06839	4.4
335.09229	100.0
336.09552	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	333.0614
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
63.02264	2.1
65.00186	4.0
66.21263	0.6
71.44836	0.8
83.01259	1.8
96.95869	0.9
107.01286	4.1
124.01569	1.3
125.02335	1.5
133.02782	0.7
135.00743	0.7
141.03323	0.6
148.01553	0.7
149.02313	0.9
151.00262	9.6
158.03606	3.3
159.00882	0.9
165.97891	0.6
166.02589	0.6
167.03435	1.2
169.01486	0.8
169.02798	3.8
172.01595	0.8
176.01068	0.7
177.01917	0.9
181.05051	0.8
185.02347	2.6
186.03117	0.9
187.03827	1.0
189.01714	1.0
190.02565	0.7
196.33217	0.6
197.02310	1.1
201.01904	5.0
213.01868	0.8
214.02646	23.8
215.03169	1.8
221.08478	0.7
225.01871	1.9
229.01379	1.3
229.05002	1.5
230.02118	2.0
233.04501	2.2
237.77959	0.6
239.71779	0.7
241.01401	1.0
242.02141	6.4
243.02795	0.9
253.05000	2.4
258.01752	1.6
259.02420	1.8
269.00958	3.5
274.01117	3.1
281.79706	0.6
286.01193	36.9
287.01425	2.8
301.03537	14.2
302.03964	1.4
333.06140	100.0
333.20706	1.8
334.06494	7.7
346.98541	0.7
358.48492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0823
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
55.01759	5.0
59.01262	5.4
60.03838	1.5
60.94403	1.5
64.22262	1.4
65.00186	1.9
70.86714	2.8
71.01246	3.1
73.67139	1.5
77.16057	1.5
79.01768	5.3
85.02834	1.9
85.06463	31.5
89.02330	2.3
91.05452	1.7
93.03316	1.7
96.95882	7.8
97.02826	4.7
101.02305	2.7
107.01276	2.9
109.02838	4.0
109.06479	3.7
111.04399	12.3
113.02338	2.1
121.02820	5.8
123.04407	9.1
135.04417	8.5
137.05949	3.8
137.46523	1.5
139.03938	4.6
143.51598	1.5
145.02853	2.4
147.04457	1.8
149.02322	7.9
150.03174	2.2
151.00203	3.2
151.03906	6.6
152.04649	2.2
153.05476	100.0
154.05840	2.5
160.01517	1.6
161.04558	1.9
163.03984	2.8
163.93924	1.6
165.01804	5.0
165.05510	3.3
175.03949	4.0
177.01843	23.4
178.06270	1.9
179.03409	17.1
180.04211	9.8
181.05000	17.4
185.05946	4.0
189.05408	1.9
191.03528	2.1
193.01347	2.8
194.63911	1.8
197.04440	1.9
201.01906	2.6
201.05392	2.0
203.07022	2.8
204.04233	4.8
205.05145	1.8
207.02921	26.5
209.04439	3.1
212.03236	2.1
213.05533	12.6
230.05717	2.1
231.06552	2.6
232.32033	1.8
243.02893	1.8
251.01341	1.6
254.05783	2.1
257.04520	1.6
269.05646	1.7
269.08072	9.0
271.02539	5.5
272.03128	3.8
278.95209	1.7
279.83035	1.9
287.09189	5.6
299.02005	4.4
300.02826	15.7
303.08704	12.0
313.03757	3.6
313.07135	69.7
314.07474	4.0
316.02289	3.8
331.04474	7.4
331.08197	17.8
331.12189	5.1
331.15619	2.5
331.24811	3.9
332.08401	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	330.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	22.9
71.03252	21.4
71.53472	37.6
78.95780	66.1
80.15573	21.6
123.04428	19.8
152.99452	100.0
158.66948	23.8
163.56702	20.5
214.91397	20.3
255.23376	23.7
260.10550	23.8
279.23279	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03316	4.1
64.23238	1.4
65.00197	10.6
69.03334	1.3
71.01270	1.8
71.51675	1.8
81.03342	5.8
83.01249	13.5
90.75574	1.5
93.03348	4.0
95.01278	2.7
95.04877	2.1
97.02809	7.5
99.00751	2.8
99.04421	2.5
105.03351	2.0
107.01276	13.1
111.04457	1.5
113.02308	1.5
121.02849	5.7
122.03677	1.5
123.00750	3.2
123.04507	2.6
123.21247	1.3
124.01557	3.7
125.02339	52.0
126.02725	2.7
137.02362	5.9
139.03903	2.0
149.02396	9.9
149.99498	2.7
150.03151	1.4
151.00267	52.4
151.03902	3.5
155.03406	3.3
158.66656	1.4
159.02905	3.8
163.00272	9.2
164.01093	2.2
165.01878	12.6
167.03403	2.7
168.00485	6.6
169.01349	45.9
175.00273	4.7
180.59126	1.3
181.01408	3.8
193.01357	60.8
211.02422	100.0
212.02733	4.0
223.02434	18.1
241.03487	22.4
295.04712	2.3
313.05655	5.1
331.06723	63.5
332.07050	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	329.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52967	1.8
59.01241	8.6
70.10240	4.9
70.10641	3.6
78.95778	6.1
93.82550	2.1
107.41419	2.1
147.04408	3.0
148.05193	4.7
152.99469	10.3
153.22835	2.1
160.55144	2.2
180.04187	2.4
183.08029	3.2
184.08784	3.3
185.06026	2.8
201.09151	75.4
202.09543	6.5
245.08141	30.6
270.16223	7.2
279.23251	4.2
285.18610	8.4
293.21362	3.2
294.18161	2.4
314.15244	16.1
315.15421	2.5
329.17575	100.0
329.23495	3.9
330.17844	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03312	1.0
63.41960	0.4
69.03321	0.4
69.30125	2.0
69.30543	0.8
75.11698	0.4
79.01753	0.5
83.04889	0.6
85.02806	0.6
97.06421	0.5
98.20554	0.8
99.08031	5.0
125.09601	1.2
127.11192	2.5
135.04314	0.4
139.11185	3.0
149.02356	0.9
155.10762	0.5
155.14316	0.6
163.11119	0.3
165.12726	0.6
167.10638	0.4
167.14294	1.4
171.10181	8.9
179.03398	1.4
183.13809	5.8
185.11586	0.4
193.12302	2.2
199.13210	0.7
209.11765	1.2
211.13332	31.0
212.13817	1.7
229.14395	17.8
230.14771	1.0
248.91884	0.3
257.04327	0.5
269.04492	0.9
285.04102	2.2
293.21277	1.1
311.22455	0.4
314.04318	3.5
315.04541	0.6
329.06699	4.4
329.23309	100.0
330.07150	0.8
330.23630	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.59428	0.4
57.03323	0.5
58.00460	0.8
59.01248	3.7
71.01240	0.5
71.44086	0.6
73.02816	0.5
84.02048	0.4
121.10105	0.5
122.35100	0.4
125.09599	4.6
127.11176	7.9
137.09624	1.0
139.11179	5.5
143.10855	0.5
155.10707	3.2
157.12253	0.5
163.03922	0.6
165.09111	1.4
171.10179	39.7
172.10527	1.7
183.10132	1.1
185.11726	0.8
199.09671	1.1
201.11255	25.0
202.11417	0.8
213.11272	0.9
271.02417	0.7
275.20166	1.8
293.21133	2.1
299.01855	1.2
311.22238	2.2
314.04370	1.5
323.69727	0.4
329.06552	2.1
329.23312	100.0
330.23676	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53825	0.9
56.81412	1.0
59.01256	6.2
71.20293	2.1
76.98357	0.9
78.95769	1.3
119.04921	2.0
135.04414	1.2
147.04419	6.1
147.92780	0.9
148.05190	4.4
152.99513	2.2
155.08556	1.8
161.06032	1.2
162.03154	1.3
183.08089	4.9
184.08781	1.2
185.05991	3.7
191.03366	1.1
201.09142	100.0
202.09532	8.0
226.36636	1.1
240.02907	1.1
245.08167	21.5
246.08661	2.0
247.62721	0.9
253.15956	2.1
266.59286	1.0
269.15463	2.3
270.16257	16.4
271.16531	1.2
285.18607	17.9
286.19232	1.4
314.15213	14.7
329.17566	94.6
330.18005	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	329.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52967	1.8
59.01241	8.6
70.10240	4.9
70.10641	3.6
78.95778	6.1
93.82550	2.1
107.41419	2.1
147.04408	3.0
148.05193	4.7
152.99469	10.3
153.22835	2.1
160.55144	2.2
180.04187	2.4
183.08029	3.2
184.08784	3.3
185.06026	2.8
201.09151	75.4
202.09543	6.5
245.08141	30.6
270.16223	7.2
279.23251	4.2
285.18610	8.4
293.21362	3.2
294.18161	2.4
314.15244	16.1
315.15421	2.5
329.17575	100.0
329.23495	3.9
330.17844	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	329.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.1
59.61488	0.3
70.10007	1.2
73.53305	0.3
78.95776	0.8
79.19303	0.3
80.72318	0.3
81.03354	0.4
94.12035	0.4
108.19444	0.4
119.04885	1.3
146.03607	0.5
147.04413	5.5
148.05185	5.3
150.03085	0.4
151.03918	0.5
152.99484	1.1
155.08551	0.4
159.04390	1.0
161.05969	1.2
162.03130	1.6
164.04651	0.5
173.05914	0.5
173.09669	0.6
180.04213	1.2
183.08104	5.0
184.08693	1.2
185.06018	3.9
185.09570	0.8
186.06740	1.1
187.07584	1.0
191.03375	1.7
192.04111	0.4
199.07500	1.2
200.08310	0.9
201.09137	88.3
202.09531	5.5
205.80888	0.4
213.09094	0.4
224.03177	0.5
227.10770	0.4
245.08156	34.2
246.08588	2.5
255.13870	0.9
269.15421	2.6
270.16208	8.7
271.16730	0.7
277.21707	0.8
285.18591	10.6
286.18890	0.9
314.15228	17.9
315.15616	1.8
329.17578	100.0
330.17880	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	329.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10846	1.4
51.56786	1.3
54.27431	1.3
59.01255	8.2
71.20263	3.2
79.01783	1.9
79.05380	1.7
79.95599	6.0
80.96390	3.0
89.97599	1.2
91.36521	1.2
96.95885	89.3
107.04911	5.6
108.02023	2.1
119.04850	1.5
128.15092	1.3
135.04402	2.3
137.02309	4.8
149.02325	3.6
149.12581	1.4
149.57954	1.4
153.05482	2.7
161.02345	2.3
165.01770	1.7
167.10764	2.0
175.07446	1.8
176.08293	9.8
177.01750	2.1
179.03375	1.4
187.07539	2.8
188.08350	4.4
189.05458	4.4
190.06326	1.7
191.07057	1.9
203.07088	2.7
204.07877	15.6
205.08347	1.6
216.07864	5.7
217.08569	4.2
219.10265	8.6
227.03447	1.6
231.10199	17.9
232.10555	1.9
234.08937	3.8
247.09644	2.6
249.11296	100.0
250.11571	5.5
258.20856	1.4
270.01599	1.7
271.02377	1.5
285.04010	3.2
299.01776	4.9
314.04230	4.2
329.03030	6.1
329.06909	83.3
329.23117	5.1
330.03833	1.7
330.07156	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	329.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97903	6.7
59.01258	5.9
59.07994	1.3
63.96106	15.7
65.94835	1.3
71.10665	1.3
72.99180	9.6
73.98187	3.5
74.98968	53.2
76.96895	2.1
78.95805	2.4
80.96380	1.4
85.02814	2.4
87.00750	9.4
89.32803	1.7
111.00774	1.8
117.97175	7.2
119.03419	1.5
123.00773	1.5
132.02043	1.8
135.98267	84.7
136.99066	25.9
138.03198	2.9
151.03883	1.8
153.05466	2.6
160.01575	21.4
161.02301	4.5
162.03117	3.4
167.03441	3.1
175.03903	19.7
177.01857	2.6
177.05443	2.9
178.02650	2.4
192.99586	38.3
193.04982	4.4
194.00217	6.2
208.01910	11.3
209.02730	23.6
210.03085	1.5
210.34196	1.4
223.04381	7.6
226.03250	1.6
227.03706	2.4
241.05365	100.0
242.05608	6.3
269.69003	1.3
329.03305	2.6
329.06961	9.3
329.10394	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	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.54167	1.9
59.01253	9.4
61.62841	1.9
64.97909	1.8
68.99720	1.9
70.04803	8.0
81.03337	12.5
83.01246	8.7
93.03348	3.2
95.01259	2.2
95.04899	20.6
97.02841	4.0
98.19849	2.1
99.04385	6.6
121.02861	3.1
122.03625	4.5
122.34689	1.7
123.04400	28.4
125.02335	23.5
137.02370	5.0
137.05975	21.6
139.03894	5.9
141.05476	2.3
165.05464	5.3
167.03407	69.9
168.03734	2.7
179.03403	8.7
181.04929	4.0
197.04451	3.3
209.04486	100.0
210.04839	5.4
221.04338	3.2
231.99886	2.0
238.30888	1.9
239.05612	24.7
329.08740	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14487	0.5
59.01302	9.3
61.03768	0.6
65.00238	0.7
71.53620	0.8
79.95649	0.8
96.95938	1.2
107.01348	0.9
121.52090	0.6
122.11958	0.8
125.02361	0.8
133.02847	5.4
134.21886	0.6
135.04411	0.7
138.38577	0.6
140.58694	0.7
149.02365	1.0
151.00232	3.4
161.02347	9.4
161.03508	0.7
175.03981	1.3
179.03461	1.5
183.04485	1.2
184.34227	0.6
185.02449	2.6
187.00412	0.8
199.03951	2.0
203.03494	4.4
214.78549	0.6
215.03473	1.3
227.03441	9.4
228.03844	0.8
229.01347	1.7
231.53894	0.6
243.02893	4.3
268.03976	0.8
271.02457	53.2
272.02863	4.6
285.04016	13.7
286.04413	1.3
292.58990	0.6
297.03970	1.0
299.01953	84.2
300.02277	6.6
313.03519	5.2
314.04288	57.1
315.04565	5.0
329.03046	8.6
329.06619	100.0
330.03302	1.3
330.06992	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Malvidin
Peak:m/z	Relative Intensity
50.47360	0.3
51.35858	0.3
59.01235	0.6
63.02269	0.3
65.00208	0.5
70.92651	0.4
70.92989	0.6
71.85848	0.2
75.19543	0.3
85.81170	0.3
86.44190	0.3
93.83252	0.3
96.32216	0.3
107.01255	0.8
120.34905	0.2
133.02840	0.6
151.00261	3.4
155.04875	0.3
157.02919	0.3
161.02345	17.5
162.02708	0.6
171.04376	0.8
175.03900	0.6
183.04396	2.0
185.02356	4.7
187.00334	1.5
187.03972	0.3
199.03929	4.0
201.01823	0.9
203.03445	8.8
209.02402	0.5
211.13390	0.4
215.03470	2.7
227.03445	19.9
228.03732	1.0
229.01346	2.7
229.14305	0.5
243.02943	7.7
244.03305	0.7
255.02925	0.8
268.03616	0.8
269.04425	0.4
271.02466	60.2
272.02808	4.5
285.04001	2.7
286.04581	0.3
297.04080	0.9
299.01950	100.0
300.02289	8.2
313.03519	6.4
314.04300	62.9
315.04620	5.2
329.06650	97.5
329.23318	2.3
330.06989	8.2
330.10757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0666
Annotation	Malvidin
Peak:m/z	Relative Intensity
55.01764	1.0
59.01246	2.1
65.40466	0.4
76.89886	0.3
79.01762	20.9
79.80424	0.4
80.02107	0.8
91.05410	4.9
92.73048	0.3
93.03333	4.7
98.19695	0.8
99.08029	1.2
104.25385	0.4
107.04889	1.2
109.02842	3.8
111.00754	0.5
111.04406	8.5
121.01951	0.8
121.02840	15.4
122.03156	0.5
123.04413	3.7
125.09628	0.4
127.11197	0.5
135.04411	27.0
136.04752	1.2
137.02374	0.5
139.03908	3.0
148.01642	0.4
149.02325	4.9
150.02818	0.4
151.03902	5.2
151.66693	0.4
153.05507	1.0
160.40762	0.3
161.02400	0.9
161.12244	0.5
162.78415	0.4
163.03926	1.5
164.04713	0.9
165.01791	0.5
171.10136	0.6
173.05983	0.8
177.01912	0.6
179.03415	43.4
180.03775	1.7
183.04427	0.5
183.13811	1.1
191.03455	1.3
192.04242	0.7
197.04468	5.0
207.02927	13.3
208.03180	1.0
211.13321	5.5
219.02853	0.5
220.03694	0.8
221.04515	1.4
226.06357	0.4
227.03468	0.9
229.04958	0.4
229.14339	2.6
239.07114	0.8
241.04907	0.5
242.05814	0.9
243.02876	0.6
257.04401	0.4
257.08127	1.3
269.04504	0.4
270.05112	0.6
271.02475	2.3
271.06180	0.5
273.07755	1.4
285.04398	0.5
285.07608	1.2
299.02017	3.9
300.02530	0.5
301.07159	1.6
311.05768	0.6
314.04303	2.8
329.06647	100.0
329.23303	18.3
330.07004	9.1
330.23746	0.8
351.50150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.4
63.02269	0.8
63.46185	0.4
65.00206	0.5
69.35522	1.6
69.35946	1.1
78.77561	0.4
81.76153	0.4
83.16680	0.3
85.02822	0.7
96.95898	0.5
98.21492	0.4
107.01276	0.6
111.85185	0.4
121.02851	2.0
135.04417	0.5
147.04449	0.6
151.00269	1.6
161.02344	4.4
167.03397	0.5
167.52931	0.4
171.04326	0.5
177.01814	0.4
182.01944	0.4
185.02345	0.9
199.03911	1.8
201.01859	0.6
203.03452	1.8
210.90681	0.4
215.03394	0.8
225.27451	0.4
227.03371	4.3
229.01511	0.7
243.02995	2.8
253.09026	0.5
255.02771	0.6
268.03766	1.3
269.04230	0.5
269.05145	0.6
269.08157	4.7
271.02460	77.9
272.02814	6.0
281.07983	0.8
283.02380	0.5
284.03214	1.1
285.04092	3.8
285.07001	0.6
286.04312	0.8
297.03998	1.4
299.01953	83.7
300.02374	6.4
313.03497	6.6
314.04294	46.3
314.11597	4.1
315.01614	0.5
315.04684	3.1
329.06638	100.0
329.13870	5.1
330.07010	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.19913	6.2
59.01233	16.5
71.10088	4.9
72.17316	4.9
83.04899	11.7
89.02331	6.6
98.20576	15.4
113.66267	5.0
116.87070	5.0
118.84341	4.9
127.71400	5.7
151.68327	6.1
180.30583	5.6
235.20746	28.8
235.22746	6.2
253.21704	100.0
253.24161	10.7
297.04034	10.2
327.08755	10.0
327.18271	18.6
327.29034	29.1
333.59555	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
70.39020	0.6
70.39391	0.6
71.07879	0.3
79.91578	0.2
96.64369	0.3
99.30376	0.3
105.98587	0.2
117.81802	0.3
185.00688	0.9
193.01711	0.3
203.97054	0.3
281.28500	4.4
282.28967	0.3
287.70685	0.3
297.03830	0.4
309.28088	1.0
325.27444	0.8
327.18790	2.4
327.29016	100.0
328.29364	11.1
328.33389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27234	3.9
57.03313	7.7
59.01239	12.7
62.66815	3.9
67.17977	3.8
71.01251	6.7
71.23999	7.5
73.02838	5.4
81.03336	5.8
83.01247	10.6
95.01271	5.4
97.02842	13.4
101.02351	4.5
107.04948	4.9
109.02834	49.2
116.07050	4.7
121.02859	20.0
122.03637	9.4
123.00795	4.8
123.04425	24.4
125.02341	58.7
135.04424	100.0
137.02347	72.6
139.03932	15.4
145.02824	9.0
147.04376	7.2
148.03937	16.3
149.02332	35.5
150.03117	12.1
151.03928	28.8
160.03960	7.6
161.02380	19.4
163.00293	5.1
163.03966	10.2
164.01115	11.0
165.01866	40.5
167.03429	19.1
172.03932	23.7
175.03877	9.3
176.01079	4.9
176.03404	7.5
177.01747	10.2
178.02528	4.4
179.03374	19.8
190.05040	5.4
191.03351	11.0
192.99786	9.0
193.01363	75.2
203.07161	4.8
213.05498	8.6
215.07100	46.3
233.08151	9.5
242.08163	4.9
257.08237	16.7
284.09326	5.4
286.07227	5.2
290.07547	6.5
301.07166	42.9
310.07220	6.8
328.08289	91.3
328.22311	5.8
329.06290	21.4
340.40854	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03318	1.1
58.00460	0.5
59.01252	2.9
60.80680	0.4
69.03323	4.7
69.27367	0.6
69.27764	2.3
69.81039	0.3
71.01247	1.1
72.99189	0.5
80.02542	0.5
81.03353	0.4
82.53094	0.3
83.04900	1.1
85.02802	0.4
87.04398	0.5
87.84602	0.4
91.14055	0.3
93.03320	0.5
107.08568	0.5
108.05689	1.3
119.04902	1.1
119.08557	6.6
121.02872	0.5
121.06380	0.4
123.08068	0.5
125.09602	4.6
127.11183	3.2
133.02844	0.8
135.08041	2.2
137.09621	29.8
138.09935	1.1
139.11111	0.4
153.09045	0.5
155.10674	0.7
163.03911	1.2
165.09161	0.8
171.10181	100.0
172.10521	4.6
185.11763	1.3
197.11815	0.7
199.09770	0.7
201.11267	22.8
202.11595	1.5
211.13319	0.5
213.11234	4.0
239.16626	2.2
273.18622	1.7
291.19641	4.3
297.03891	0.5
299.05673	0.9
309.20673	7.6
310.21219	0.6
327.05127	2.0
327.08786	1.4
327.13049	1.0
327.21762	48.6
328.05518	0.5
328.22086	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.54190	0.4
57.03316	1.5
57.40828	0.5
69.03307	1.4
71.01252	1.1
71.10693	0.7
83.04887	0.9
85.02814	4.8
95.04900	1.3
97.06461	4.6
98.06831	0.5
123.08102	0.7
125.09603	1.2
127.11172	2.0
127.75139	0.5
137.09616	1.0
155.10643	0.9
165.12708	0.6
167.14313	0.7
171.10184	11.0
177.12773	1.1
183.13762	3.6
185.11702	1.6
193.12312	1.2
197.11716	0.6
209.11778	2.1
209.23648	0.6
211.13332	19.9
212.13655	1.6
221.11815	3.8
229.14398	12.0
229.16171	0.3
230.14815	1.1
239.12851	2.1
286.37338	0.5
291.19763	3.4
309.20633	1.4
327.21741	100.0
328.22058	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.23626	1.2
57.41415	1.5
57.86359	1.4
58.00492	1.4
59.00954	1.6
59.01250	30.6
71.01254	22.8
72.99178	4.6
78.39580	1.5
83.01173	1.4
84.22604	1.5
85.02811	3.7
89.02322	17.9
95.01279	2.7
99.76121	1.7
101.02326	14.3
113.02329	8.4
119.03398	8.0
119.04893	3.4
123.04449	2.9
147.04425	100.0
148.04732	4.9
165.05501	16.6
167.55128	1.9
295.04031	1.5
297.03952	1.8
327.10834	58.5
327.14719	3.3
327.21500	1.8
328.11203	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.41464	1.0
57.03327	3.0
59.01248	6.6
64.98328	1.1
65.47613	1.1
69.03322	2.8
69.68500	5.3
71.01244	3.0
71.04848	1.2
83.04903	1.5
84.02052	6.0
89.02320	2.2
90.90720	1.1
93.03307	2.0
99.08033	4.2
105.63485	1.3
109.06461	3.2
111.08038	2.3
113.09595	3.5
119.04950	6.4
123.07957	1.3
125.09623	8.0
127.11189	2.7
129.09093	1.6
133.02846	1.4
133.06468	2.4
137.09596	7.7
139.11224	1.5
141.09076	1.6
144.37422	1.1
149.09610	2.8
150.03090	1.3
153.09120	2.1
153.12685	1.2
155.10699	4.7
163.03914	3.5
167.10674	2.2
169.12234	2.9
171.10170	28.3
176.01074	1.5
177.01839	2.3
181.12276	1.6
183.10170	5.4
185.11737	13.9
187.29692	1.3
193.08646	5.0
196.83960	1.1
197.07840	1.1
197.11714	9.4
198.12126	1.6
200.57387	1.3
201.11221	10.7
209.11734	4.0
213.11258	2.8
219.06557	2.9
227.12811	3.6
267.41074	1.2
291.19656	6.4
297.04062	1.7
299.05588	1.4
309.20746	3.4
312.06418	1.8
327.04987	3.4
327.08762	5.4
327.12421	22.5
327.21747	100.0
328.12823	2.8
328.22253	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	327.0873
Annotation	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01756	0.7
55.79453	0.6
59.01247	2.9
65.00201	0.9
69.70382	1.6
69.70794	2.2
71.01263	2.3
73.02843	0.8
77.03845	2.3
79.01782	1.8
81.03338	0.8
83.01260	2.4
93.03329	24.7
96.99178	5.7
97.02833	1.3
98.20545	1.0
101.02316	0.9
105.03346	1.4
107.01248	1.6
107.04919	0.9
108.02050	3.9
109.02841	4.4
117.03358	1.8
119.04913	22.1
120.05260	1.5
121.02818	3.9
123.00800	1.3
123.04401	7.2
125.02315	3.0
130.04143	1.5
131.04932	4.6
132.02042	0.8
133.02846	28.7
134.03435	0.6
135.00873	0.7
135.04428	2.7
137.02316	1.5
143.04927	17.0
144.05251	0.8
145.02852	3.9
145.06548	0.8
147.04402	1.9
148.01584	1.2
149.02318	2.7
151.03920	0.9
153.05428	0.8
159.04420	1.5
161.02310	2.1
161.56409	0.6
163.03920	15.5
165.01823	3.2
171.04422	1.9
173.02319	1.5
175.03917	5.3
185.05983	0.8
191.03458	3.4
193.01344	2.4
198.03194	1.0
199.03897	1.8
201.01964	1.8
209.06030	0.9
211.04054	1.5
211.07544	6.4
212.04681	1.0
213.05490	2.1
219.07999	0.8
221.09531	1.4
222.07010	0.7
223.07509	1.3
225.05548	0.9
227.03491	0.9
235.07651	3.7
237.05537	1.0
237.09158	6.3
239.10660	0.9
240.04214	1.1
241.04942	1.2
243.02820	0.7
246.26926	0.7
253.05008	1.2
255.06665	1.3
265.05835	0.6
265.08664	16.9
266.09073	1.4
271.06058	0.8
281.04663	0.9
283.06381	0.8
283.09689	2.7
284.03247	14.1
285.03754	0.8
297.03998	2.1
298.04807	6.0
299.05594	26.4
300.05801	3.0
309.04199	1.1
309.07571	4.7
327.05072	100.0
327.08765	67.7
328.05408	8.8
328.09097	5.2
331.93546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.67297	0.4
54.35900	0.4
59.01213	0.8
59.03865	0.5
59.87120	0.3
70.24722	0.4
70.54451	0.8
70.54820	0.8
77.03812	0.5
79.01699	1.2
80.78177	0.4
107.04861	0.7
109.02765	1.1
115.39090	0.4
119.04881	0.9
121.02766	1.5
122.03649	3.2
123.04296	0.9
132.02022	0.5
133.02821	2.6
134.03635	4.1
135.04416	1.9
136.05037	0.5
137.02293	1.0
149.01273	0.5
149.02348	5.7
150.03130	12.3
151.03935	2.4
161.02263	1.0
163.03815	1.3
164.04651	0.5
172.05116	0.5
175.03821	1.5
177.01849	8.1
178.02614	5.0
179.03194	0.6
189.05589	0.6
190.02573	0.4
201.05490	0.5
203.03429	3.1
204.04144	0.7
205.08638	0.6
210.01567	0.6
211.07454	0.5
213.05447	2.1
222.01599	0.6
223.78398	0.4
225.05551	1.2
227.07143	3.5
228.07826	3.4
239.07095	3.9
240.07828	0.6
241.05023	4.4
242.05525	0.5
255.06596	14.3
256.07251	2.8
258.05328	0.6
260.06787	0.6
267.06613	4.1
268.07202	0.5
269.04532	2.5
274.78778	0.4
283.06146	5.5
284.06879	5.3
285.07111	0.6
311.05765	3.6
312.06387	100.0
313.06726	8.1
327.08734	77.3
327.12070	3.0
327.21622	1.2
328.09106	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	327.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03260	0.7
59.01248	5.3
59.92756	0.6
61.98710	0.7
63.77684	0.6
67.01759	2.0
71.01259	0.7
79.05415	5.0
79.95619	1.2
80.96387	2.3
83.01216	0.7
83.02959	0.7
83.04906	0.8
89.02283	0.7
93.03352	1.0
96.95888	69.2
97.02829	1.9
105.07012	0.9
105.33781	0.6
106.72837	0.6
107.04912	1.6
109.02855	2.2
111.04408	3.1
121.02803	1.2
123.08094	1.1
129.06964	0.7
131.08530	1.8
133.02794	0.8
133.06444	1.0
134.03621	1.4
137.02357	1.0
144.05692	0.7
149.05980	0.8
149.09657	0.8
157.06499	1.6
161.02345	0.7
162.03114	0.7
163.03911	0.9
171.08063	2.4
171.10170	1.8
173.09633	9.2
175.03935	1.3
175.07576	0.9
189.09105	3.7
190.02667	3.7
191.07162	1.6
199.07603	0.8
203.07124	3.1
211.07671	0.6
217.08640	28.9
218.08971	1.0
230.05836	2.2
245.08144	8.0
246.08566	0.8
247.09724	100.0
248.10143	6.7
283.06024	1.3
283.19174	0.9
299.05621	0.7
302.41867	0.7
309.00351	1.6
327.05402	82.2
327.21768	8.8
328.05829	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	327.0504
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.01746	0.2
59.01231	0.3
63.02272	0.3
65.00198	1.4
65.02814	0.1
67.01749	0.1
68.99670	0.2
69.03318	0.3
71.52955	0.2
76.34686	0.1
77.03832	2.4
79.01765	2.1
81.03326	0.8
83.01265	1.1
89.03790	0.1
91.05366	0.2
93.03333	1.3
95.01289	0.3
95.04913	0.4
96.95864	0.2
97.02837	1.7
104.21725	0.1
105.03345	1.3
107.01257	1.7
107.04900	0.3
108.02116	0.2
109.02833	3.9
117.03338	0.4
119.04914	3.8
121.02847	4.0
122.03188	0.1
123.00758	0.7
123.04413	0.6
125.02338	3.2
131.01329	0.3
131.04932	0.3
132.02049	1.0
133.02846	29.0
134.03574	1.0
135.00768	0.3
135.04416	3.6
136.01544	0.2
137.02339	1.1
139.03856	0.2
143.04933	0.6
145.02855	0.9
146.03659	0.3
147.04419	2.0
148.01553	1.2
149.02351	2.6
149.99489	0.1
151.00308	0.7
151.03949	1.3
157.06499	0.2
159.04437	0.2
160.01613	0.2
161.02332	1.1
161.05841	0.1
162.02991	0.2
163.00270	1.0
163.03918	7.5
164.01076	0.4
164.04242	0.2
165.00484	0.2
165.01840	3.5
167.03502	0.1
169.06496	0.1
171.04433	0.5
173.02388	0.8
174.03125	0.4
175.00294	0.4
175.03926	4.6
176.01062	0.2
176.04219	0.3
177.01871	0.7
181.06508	0.2
183.04453	0.3
183.08170	0.2
184.05203	0.2
185.05954	0.6
187.03844	0.3
187.07544	0.3
189.01804	0.4
189.05461	0.4
190.02625	0.2
190.99767	0.4
191.03441	3.0
192.03703	0.1
193.01347	3.4
195.04413	0.4
196.05170	0.3
197.02316	0.2
197.05962	0.3
198.03218	0.6
199.03972	2.1
199.07571	0.4
200.04674	0.2
201.01846	2.0
201.05507	0.3
202.02460	0.2
203.06969	0.2
209.06017	0.6
211.03975	1.6
211.07552	0.5
212.04730	0.9
213.02049	0.1
213.05507	2.1
214.02716	0.2
214.06198	0.2
215.03464	0.3
216.04160	0.1
217.01421	0.2
217.05013	0.5
222.03258	0.1
225.05507	0.6
226.02637	0.4
226.06146	0.3
227.03448	0.9
227.07007	0.9
228.04216	0.3
229.05014	0.5
231.06639	0.6
235.04044	0.2
237.05508	0.6
237.09135	0.1
239.03410	0.5
239.07166	0.2
240.04285	1.5
241.04947	1.1
242.02242	0.3
242.05373	0.2
243.02876	0.7
243.06586	0.2
251.03514	0.1
253.04967	1.0
254.05737	0.5
255.02989	0.9
255.06633	1.2
256.03818	1.2
256.06381	0.2
257.04489	0.6
259.06052	0.3
265.05026	0.2
265.08612	0.2
269.04578	0.5
270.05481	0.3
271.06201	0.9
281.04498	1.0
282.05167	0.2
283.02798	0.2
283.05984	0.4
283.09598	0.3
284.03253	15.7
285.03595	1.2
297.04025	2.4
298.01367	0.3
298.04797	6.0
299.05585	24.3
300.05945	2.0
309.04041	0.8
325.03613	0.2
327.05078	100.0
328.05420	8.0
345.08127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42324	1.5
51.82277	1.4
56.98053	1.5
57.03325	3.5
59.01248	10.4
63.31487	1.4
68.99675	1.4
71.01257	1.8
74.00839	1.4
75.18626	1.4
79.95607	2.5
83.01254	5.7
85.02826	2.6
93.03317	2.3
93.06982	2.2
97.02859	2.4
105.07006	1.5
109.02823	7.1
113.02304	1.5
117.06977	7.5
119.04919	21.8
121.02832	7.2
123.04397	1.9
124.01535	7.5
125.02342	12.2
133.02846	5.3
133.06477	8.2
134.03650	2.4
135.04416	4.8
135.08037	13.6
137.02354	14.2
137.06007	3.6
144.05734	6.2
146.03671	2.8
146.91611	1.6
149.02364	1.9
149.78633	1.6
150.03130	1.9
159.04391	2.8
159.08041	18.1
160.05226	2.3
161.02304	2.0
161.05980	28.8
163.03934	16.4
175.03978	1.8
179.07024	10.7
185.05881	1.8
187.03813	2.5
188.04700	8.0
193.05060	3.7
203.07072	73.2
204.07379	4.4
214.43451	1.6
229.04965	10.9
247.06096	100.0
248.06421	6.4
284.03183	3.4
297.03961	3.5
297.07697	4.2
299.05710	9.0
312.09857	3.4
327.01761	91.6
327.05164	15.7
327.08862	3.8
327.12387	3.8
327.21594	1.8
328.02142	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01245	4.6
71.01241	1.2
79.95601	1.5
82.20755	1.0
89.93799	1.0
104.07397	0.9
149.09621	69.1
150.09962	4.5
163.11194	72.0
164.11530	3.0
164.18169	1.0
170.00308	1.6
183.01131	53.9
183.45290	1.0
184.01831	5.8
193.07050	1.9
197.02695	2.8
216.00909	3.5
307.26196	1.2
325.18356	100.0
325.21762	57.8
325.26978	5.7
326.18665	13.0
326.22092	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.15326	3.3
57.03323	8.0
59.01245	19.4
59.01505	3.3
64.72090	2.8
71.01246	9.9
71.04883	6.8
81.03342	5.8
84.02102	2.9
85.02854	3.0
89.02309	3.0
97.06461	11.5
98.20586	10.8
99.08025	4.9
101.02319	13.6
111.18723	2.9
121.02821	5.4
122.03645	6.3
125.09619	7.3
136.05090	3.1
137.09625	4.7
143.56773	3.1
150.72023	3.0
155.10812	3.1
160.26135	3.2
165.12750	11.0
167.14313	59.5
168.14673	3.2
179.14284	3.5
183.01093	7.3
193.07114	11.6
193.15929	31.5
197.11778	3.1
207.17448	35.2
223.16911	9.4
230.38228	3.2
237.48344	3.7
249.18573	100.0
250.18863	4.1
275.16553	17.4
281.21188	65.5
282.21704	3.9
289.18127	5.7
293.17578	25.0
307.19159	90.5
308.19464	6.6
325.11328	8.5
325.19983	53.4
325.23880	26.2
329.98367	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03307	3.1
59.01247	15.0
63.41047	1.4
63.85035	1.6
69.03331	2.9
70.81792	3.4
71.01261	10.8
71.01602	1.9
71.04879	5.1
72.02041	2.4
73.02816	3.6
75.46823	1.6
80.02565	1.6
81.03337	2.6
83.04891	7.6
83.45646	1.8
84.02026	3.5
85.02820	4.2
95.04903	3.6
96.95878	1.8
97.02813	1.9
97.06486	4.0
99.04388	3.9
99.08015	3.2
101.02293	6.0
109.06512	2.1
111.08012	2.1
112.05172	3.4
115.07534	3.1
121.02891	2.0
123.08070	3.4
125.09596	10.7
126.12292	1.7
127.07558	16.1
135.08073	4.1
139.07544	4.1
151.11191	1.9
153.09102	19.2
155.10678	6.1
163.11122	4.7
163.80298	1.6
165.12741	3.6
167.02258	1.8
171.10188	23.5
177.12614	2.7
178.09889	2.9
185.11760	18.5
193.07118	10.6
193.08578	1.6
197.11745	16.5
201.11154	2.2
209.11771	74.6
210.12115	4.4
211.13121	2.6
237.15007	2.6
238.12070	5.8
239.12494	1.8
245.19064	2.0
256.13104	3.4
275.71555	1.6
289.18134	16.2
307.19122	100.0
308.19510	8.2
322.45862	1.7
325.07352	2.1
325.11285	5.8
325.16913	2.3
325.20163	59.5
326.20642	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	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.44841	2.8
51.20469	2.7
57.03318	9.7
59.01253	29.8
69.03310	6.9
71.01251	15.1
71.04881	10.0
71.52469	3.5
73.02816	7.7
79.97920	3.1
81.03329	3.5
83.01253	3.9
83.04879	6.2
85.02824	7.2
85.06438	4.9
87.04391	3.7
89.02341	3.5
90.50039	2.8
95.04927	3.6
97.02814	7.8
97.06472	10.1
101.02333	12.7
109.06478	29.3
111.04366	3.0
120.95127	2.9
125.09657	3.7
126.97500	2.8
127.07554	3.6
161.04477	4.3
163.03923	7.9
163.06015	4.9
167.10703	3.0
169.12247	8.3
171.10194	9.8
181.12230	3.8
181.68219	3.0
185.11740	3.4
193.07179	19.3
193.12212	4.0
197.11792	64.8
198.12033	3.5
199.13367	8.0
201.11195	4.6
209.11763	7.6
211.13335	29.8
223.13301	6.7
227.12869	4.2
235.13341	3.8
237.14906	9.0
245.99133	2.7
249.15033	3.2
251.16490	10.0
289.18140	8.6
307.19205	7.1
325.07687	3.6
325.11340	14.0
325.20184	100.0
326.20581	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1442
Annotation	Trigonostemone
Peak:m/z	Relative Intensity
50.17990	0.5
56.92149	0.4
57.03320	0.7
58.22897	0.5
59.01252	4.6
65.03830	0.8
66.52648	0.4
69.29205	2.5
69.29611	1.3
71.01237	2.2
73.02810	1.4
83.01235	0.5
85.02844	1.2
86.89680	0.5
87.63726	0.4
93.03339	6.6
97.80376	0.5
101.02311	2.0
107.04895	2.0
108.01984	0.5
109.02837	1.0
109.06442	0.6
113.02333	0.5
119.04893	1.1
121.02856	2.3
122.03623	1.4
125.09609	1.8
126.00772	0.5
133.10098	1.6
136.05193	1.2
137.09587	0.6
150.03143	2.6
151.03912	1.0
159.08058	0.8
163.03920	5.3
163.06003	0.6
164.04703	6.6
171.10204	1.0
175.03891	2.8
175.07678	0.5
175.11191	2.8
176.04718	1.9
177.09117	7.1
178.09496	0.8
183.01147	1.3
193.07135	2.9
196.03685	4.7
204.07918	0.9
217.08672	1.3
219.10208	100.0
220.10527	6.0
231.10223	1.3
293.20886	0.6
307.19321	2.9
325.11389	1.5
325.14474	31.2
325.17929	1.3
326.14694	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1443
Annotation	Machilin A
Peak:m/z	Relative Intensity
59.01252	10.6
71.01247	3.9
71.52753	1.4
73.02794	1.4
83.01259	1.3
85.02829	2.4
89.02309	1.7
101.02315	4.3
108.02065	2.3
109.02824	11.2
109.06425	1.1
111.08022	1.9
113.02377	1.5
119.04922	1.1
121.02859	1.4
122.03600	1.4
122.38699	1.0
123.08025	1.2
137.02339	1.2
145.02850	2.7
147.04410	1.2
149.02362	1.3
159.04367	1.4
161.04459	1.6
163.06059	2.5
163.07526	2.7
171.10193	3.9
173.05939	3.4
183.01154	6.5
185.05904	1.1
185.11725	3.6
187.07564	4.9
188.08353	2.3
193.07059	7.3
197.06017	1.3
197.11737	1.5
201.09117	1.3
201.11287	3.5
203.10741	4.0
209.05994	1.1
209.11726	2.1
211.07599	1.2
212.04680	1.4
213.05353	1.2
225.05565	3.0
225.14882	1.1
227.06958	1.5
227.12819	2.7
237.05652	2.1
238.06161	1.8
239.07123	2.2
240.04295	3.9
241.04921	3.7
249.05458	1.6
251.07335	1.0
251.16570	1.9
252.07874	1.6
253.05067	14.7
254.05817	6.1
255.06624	17.8
256.07178	2.4
263.19852	1.2
266.05704	2.4
267.06619	24.0
267.09772	1.5
267.10535	1.1
268.07086	2.9
269.08151	3.8
271.98123	1.0
281.08362	2.1
282.05371	2.1
289.18198	2.1
297.07538	1.4
303.82916	1.0
307.19028	1.7
309.11417	5.0
310.04843	1.2
310.12094	2.0
325.07227	4.5
325.14484	100.0
325.20132	7.6
326.14771	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.5
69.41114	7.2
71.01241	1.8
72.99171	3.6
74.71521	1.1
75.00748	26.9
79.95609	1.5
84.62643	1.1
85.02808	3.2
87.00730	2.4
89.02302	1.3
89.03810	1.1
90.85510	1.0
95.01215	1.0
96.95898	3.3
96.99779	1.8
99.00778	1.2
101.02318	2.1
103.03887	1.2
109.53264	1.1
113.02309	1.5
117.03387	2.5
117.39398	0.9
119.04904	1.5
123.01385	1.7
123.15552	0.9
126.03722	12.7
131.03395	3.9
134.03629	34.2
137.02426	1.0
142.06522	19.3
149.04462	100.0
150.04820	2.2
152.05312	5.0
158.06079	1.1
158.73944	1.0
163.06062	1.1
175.03862	1.3
193.03355	1.5
193.04982	24.6
193.07050	4.8
194.05415	1.1
222.02278	8.3
237.10588	2.7
257.24658	1.0
281.09680	2.6
284.03375	1.3
319.88159	0.9
325.09570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00133	0.6
57.03309	0.7
59.01258	4.0
63.17236	0.6
69.03313	2.3
69.29272	2.0
69.29691	2.5
71.01240	1.2
72.99183	2.1
74.95063	0.7
75.00752	0.7
78.95785	2.7
82.72630	0.5
83.04928	0.9
85.02826	1.3
87.00757	8.2
87.04393	1.6
89.03845	3.2
95.30140	0.6
96.95900	1.6
101.02309	0.9
113.02375	0.6
117.03339	9.4
119.04851	0.8
131.03404	10.7
133.02869	2.3
134.03630	94.0
135.03946	4.0
137.02333	1.5
142.06528	2.4
143.07295	0.7
149.04517	1.8
149.05992	7.6
152.99486	3.4
160.01576	1.0
161.02338	1.2
175.89391	0.7
178.02635	4.5
193.05000	100.0
194.05338	5.9
222.02271	0.9
246.46048	0.5
248.40671	0.7
297.04077	1.8
298.04605	0.8
325.03644	3.1
325.09482	0.8
338.76755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95895	0.9
59.01247	7.9
69.76060	4.1
71.01273	2.0
72.99170	1.6
75.00752	12.0
77.52828	0.8
83.01214	0.8
85.02824	2.1
89.03831	2.5
90.88509	0.8
94.82465	0.8
98.19928	1.3
101.02292	2.1
113.02368	1.1
117.03365	10.3
119.04873	2.2
120.99543	2.0
131.03394	2.5
133.02859	1.2
134.03632	100.0
135.03909	4.2
137.02344	1.3
149.03291	1.9
149.04445	37.0
149.05949	7.3
150.04749	1.0
153.40005	1.0
159.07974	1.5
161.02327	1.9
161.04559	0.9
163.03932	2.1
179.69658	0.9
193.05002	79.4
193.06778	2.8
194.05380	5.0
241.05017	1.2
243.06480	1.6
253.05025	1.2
255.06537	2.0
281.04410	1.3
298.07129	2.1
325.03439	3.9
325.08063	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.0
57.03332	1.4
58.00458	3.9
59.01252	100.0
60.01600	0.8
69.03315	0.9
70.54296	2.0
71.01254	51.7
72.13497	0.8
72.99165	6.4
73.02831	1.4
83.01258	3.2
85.02820	10.7
87.00758	2.0
89.02319	52.1
90.02672	1.1
91.54726	0.8
95.01291	2.5
97.97363	0.8
101.02324	30.8
113.02337	20.9
117.25975	0.7
119.03387	20.2
131.03394	2.3
143.03416	1.6
143.07019	0.9
161.04408	1.2
161.08119	1.6
178.29472	0.8
179.05556	2.2
208.77417	0.8
246.89761	0.7
323.13474	50.7
324.13785	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03326	26.2
59.01252	71.6
61.98692	11.4
65.03815	4.2
69.03336	7.1
71.01266	28.1
71.04889	30.3
71.39220	4.7
73.02802	5.0
81.03337	13.3
83.01244	22.2
83.04890	27.4
84.02023	13.4
85.02818	16.5
85.06461	6.4
86.54994	4.5
87.00736	7.3
89.02322	14.3
95.01273	6.2
95.04893	79.3
96.05238	6.0
97.02818	6.7
97.06492	25.1
101.02328	17.5
109.06475	13.5
113.02347	22.6
113.05965	44.6
119.04912	6.7
120.05695	6.0
121.06528	6.9
123.04393	7.2
123.07994	7.5
125.05930	4.6
125.09593	35.8
135.08023	28.1
137.05949	8.8
137.51982	4.6
143.03455	4.8
149.09669	8.3
151.07515	5.0
153.09042	5.9
161.04427	11.1
163.11198	15.5
165.12782	6.1
167.10735	5.2
171.10165	13.1
177.12740	5.8
181.12271	10.2
185.11781	18.0
189.12737	10.4
191.10677	5.9
203.14325	6.1
207.10210	6.7
209.11766	100.0
210.12151	9.6
211.13426	5.3
214.84236	5.1
219.13783	5.8
237.14894	48.7
243.17488	9.9
247.13396	13.9
249.14862	9.4
265.14426	27.8
287.16513	26.4
305.17535	50.5
323.05774	5.0
323.09619	11.7
323.18680	65.3
323.22229	10.0
324.18915	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03730	1.3
55.01749	1.3
57.03309	2.7
58.00468	4.3
59.01252	100.0
65.51544	1.4
69.23086	5.4
69.23517	7.0
71.01256	62.6
72.99180	6.4
73.02805	2.4
83.01266	3.0
85.02830	13.4
87.00732	2.4
89.02317	45.0
95.01253	3.6
101.02323	33.4
113.02334	19.1
119.03384	24.0
143.03442	2.9
149.04492	1.6
161.04509	1.6
161.08118	1.9
163.46364	1.2
179.05585	1.9
323.13470	64.6
324.13739	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	1.3
67.72488	1.1
69.37874	3.7
69.38303	3.3
71.01251	2.6
89.02311	2.8
96.95892	1.3
101.02325	1.4
113.02330	1.6
114.66563	0.9
119.03362	1.8
153.91508	1.1
288.95029	0.9
291.26917	1.2
340.01352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
58.00462	1.2
59.01251	41.5
60.98971	0.6
63.61466	0.6
69.27936	0.7
70.61009	0.7
70.66728	1.6
71.01251	22.1
72.99179	2.4
73.02824	0.9
83.01254	2.2
85.02828	5.5
87.00741	1.8
89.02316	17.9
95.01257	2.1
97.02833	0.8
97.94952	0.6
97.95625	0.6
101.02320	15.1
111.00745	0.6
111.08002	1.0
113.02320	8.5
113.09606	29.8
114.09923	0.7
116.04930	0.8
116.98107	0.6
119.03385	6.6
131.03442	0.7
141.09093	5.7
143.10657	1.8
155.10721	3.0
159.10178	71.5
160.10512	2.4
160.73502	0.7
165.01936	0.9
171.43143	0.6
173.63641	0.6
179.05586	1.2
201.11249	1.9
321.15543	100.0
322.15891	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01728	2.0
57.03301	2.2
58.00458	1.9
59.01250	36.7
64.62732	0.7
70.84586	0.8
70.84922	1.4
71.01251	28.1
72.99181	3.4
73.02813	3.7
83.01241	2.7
84.02036	1.5
85.02821	9.1
85.53358	0.7
87.00749	1.9
89.02315	17.4
92.64153	0.7
95.01261	2.5
99.00755	1.7
101.02319	19.6
111.08038	21.6
113.02327	11.1
113.09583	0.7
119.03382	8.3
131.28941	0.7
136.06447	0.8
136.07558	2.1
138.05498	3.8
139.07545	5.6
141.09145	1.1
143.03442	0.9
153.09106	1.7
157.08606	76.0
158.08968	2.7
161.04440	2.0
179.05412	1.2
199.09798	1.8
222.16185	0.7
223.58775	0.7
319.13959	100.0
320.14301	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	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03276	12.1
71.52882	18.0
94.68204	12.0
109.02857	30.7
111.00740	16.8
125.02341	83.4
137.02332	42.2
139.00285	39.9
139.03911	16.0
153.01796	31.9
159.06552	14.6
167.03412	29.0
177.01848	63.0
249.16745	13.3
303.05176	15.3
321.06131	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	321.0615
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
51.43512	3.9
51.99503	3.8
57.03322	4.0
59.01242	12.9
65.00197	6.7
67.01761	5.1
69.03292	4.4
71.01257	10.9
71.44710	6.5
72.99184	17.5
81.03326	11.8
83.01258	12.6
85.02826	35.1
87.00726	5.1
93.03318	10.4
95.01239	6.8
95.04848	10.4
96.95885	34.1
97.02837	14.6
99.00761	12.3
108.02065	4.9
109.02827	66.6
111.00765	46.7
113.02290	10.6
113.05929	4.3
121.02831	15.4
123.00786	22.2
123.04389	18.4
124.01530	5.5
125.02339	100.0
127.00300	8.8
128.03465	5.3
134.03600	7.1
135.04417	8.7
137.02335	62.7
139.00282	41.5
139.03891	13.9
139.84322	4.6
140.01022	8.2
141.01845	34.7
147.04390	6.8
149.02344	49.7
149.05988	5.1
150.03148	5.1
151.03833	9.2
153.00656	7.8
153.01836	99.8
154.02261	5.3
154.99779	34.3
161.02312	10.9
161.06001	6.3
163.03903	11.5
165.01804	16.9
167.03406	19.3
175.03949	21.5
177.01884	25.9
181.01347	8.9
181.04953	13.8
183.02969	5.2
185.06010	5.1
187.03882	6.6
189.05463	13.1
191.03392	8.2
193.01326	5.4
199.03931	9.1
203.03366	4.8
205.05084	7.8
213.05463	5.6
215.03375	6.2
215.07045	10.2
217.05104	24.7
224.56718	4.4
226.05180	5.0
231.06525	6.2
233.04475	11.0
235.06018	7.5
241.05008	15.1
257.04584	5.5
259.06134	18.8
277.07291	7.1
285.03955	11.7
303.05142	29.7
321.06143	76.8
321.09885	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	319.0457
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
57.03302	5.4
60.68766	4.3
67.01760	4.3
68.99677	4.4
71.01250	5.0
72.35200	3.8
81.03318	12.5
83.01221	5.0
85.02815	9.4
93.03313	6.3
95.01228	8.2
98.19754	8.4
99.00745	20.5
109.02859	24.5
111.00766	15.5
113.02252	6.9
119.04913	5.3
121.02042	4.1
121.02837	19.3
121.06487	4.9
123.00745	30.3
124.01557	4.5
124.27689	4.6
125.02335	100.0
127.00248	11.5
133.02859	6.5
137.02336	37.1
139.00237	9.3
139.03815	6.6
140.22548	4.8
141.01817	71.3
145.02818	16.1
147.04405	5.0
149.02327	16.4
151.00232	14.2
153.01836	75.4
154.02577	13.0
159.04306	5.1
161.02312	17.3
163.03914	12.6
165.01793	24.9
167.03397	12.7
173.02307	8.9
175.04018	4.7
176.01030	4.5
177.01845	83.2
177.05431	4.6
180.00537	5.4
181.01266	9.2
182.02034	6.3
187.03903	10.5
189.01874	21.7
190.02628	14.4
191.03410	62.9
193.01373	39.1
203.03389	7.6
204.04192	4.7
205.04996	7.3
211.03828	9.3
215.03355	6.8
217.01353	52.5
218.01924	10.2
219.02901	15.9
221.04514	7.0
229.05234	6.6
233.04474	24.9
245.04294	5.1
251.05569	10.3
257.04416	9.8
258.01599	6.0
273.03983	6.2
275.05588	20.2
301.03452	11.8
305.08499	4.4
316.33920	4.6
319.04520	72.0
330.78113	4.1
342.84085	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	317.0667
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
51.01889	0.5
55.01751	1.4
59.01255	0.5
59.33314	0.6
63.02277	0.6
65.00200	2.6
70.40205	1.5
71.04892	28.6
72.05227	0.6
73.72598	0.5
77.03844	1.0
78.95776	1.0
79.01775	3.8
83.01263	1.6
93.03351	1.4
95.04894	1.9
95.75277	0.5
97.02832	9.9
103.39395	0.5
105.03320	0.5
107.01252	2.4
108.02046	0.9
109.02846	3.7
119.04871	0.6
121.02843	7.9
122.03679	1.2
123.04405	10.3
125.02320	1.2
135.04485	0.8
137.02365	1.6
138.03146	2.5
139.03909	100.0
140.04262	3.3
143.04930	0.7
145.02843	0.6
146.03683	0.7
147.04411	1.2
147.84000	0.6
149.02350	6.7
150.03134	4.9
151.00296	5.5
151.03920	8.4
152.04285	0.6
159.04399	1.0
161.02274	1.1
161.05972	0.6
161.25093	0.5
163.03909	0.8
164.04703	1.6
165.00153	2.1
165.01846	12.2
165.05481	1.9
166.02620	6.3
167.03403	11.3
171.04416	0.9
174.03140	1.8
175.03926	11.0
177.01854	20.0
178.02208	0.6
178.99788	0.6
183.02879	0.6
185.05991	3.0
187.07501	0.7
188.04764	1.6
189.05568	3.1
190.02657	1.3
191.03442	1.2
193.01355	15.6
193.04996	3.5
194.01646	0.7
195.02820	2.9
196.11351	0.5
197.05800	0.6
199.03949	4.1
201.01852	2.4
202.06229	1.0
203.07071	2.1
211.07632	0.9
212.04813	0.9
213.05496	7.6
215.03413	0.8
216.04268	1.4
217.04994	2.1
219.03102	0.7
227.07069	1.7
229.08832	0.6
231.06557	3.9
240.04260	1.3
245.08185	0.9
255.02979	0.8
255.03864	0.9
255.06561	7.3
256.03830	1.0
256.06726	0.6
257.04480	1.1
271.06152	0.8
273.07654	5.3
283.02429	0.6
284.03339	1.0
289.07199	7.8
290.07623	0.6
291.86780	0.5
299.05597	57.9
300.05801	3.5
317.01196	8.4
317.06686	9.2
318.01611	1.0
318.07092	0.7
320.09854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0302
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
54.28564	1.7
55.99537	1.9
57.03319	2.9
59.01236	2.1
63.02262	7.2
65.00202	18.7
65.03835	2.1
68.99691	1.8
70.09879	3.9
70.10238	4.5
70.87955	1.8
79.01758	1.6
80.79301	1.8
81.03372	3.2
83.01246	14.4
84.46772	1.7
91.01784	2.7
93.03293	3.3
95.01268	10.3
96.95879	17.5
96.99158	2.1
98.19829	2.9
99.00744	2.4
107.01273	22.6
108.02065	2.9
108.99330	2.0
109.02836	55.1
111.00771	12.6
117.54232	1.9
121.02889	3.2
123.00755	5.0
124.01561	6.5
124.98707	2.3
125.02332	28.3
131.04848	2.3
133.02853	18.1
135.00755	9.2
135.04420	7.6
136.01489	1.9
136.98701	2.6
137.02362	13.9
139.00255	17.9
139.03922	4.2
143.04939	3.8
145.02769	2.0
146.33350	1.7
147.04474	3.7
149.02341	7.2
150.03113	3.4
151.00275	55.8
151.03798	2.8
152.01085	9.6
153.01846	20.8
154.02182	2.4
155.04945	2.6
159.04408	4.9
161.02371	8.5
161.06062	2.0
163.00266	36.3
164.01062	5.6
165.01869	17.3
165.05504	4.1
166.99747	3.2
169.01335	2.6
171.04410	4.5
173.06003	2.3
175.03940	8.2
177.01871	9.4
178.99792	21.6
180.97661	1.9
181.01344	24.8
182.02003	2.5
183.04414	5.9
185.02376	6.1
186.03157	2.2
187.03914	7.5
189.01894	4.6
190.99767	21.0
191.03387	5.1
192.00549	2.5
193.01312	9.0
199.03960	11.5
201.01912	8.5
201.05530	4.1
201.93890	2.1
202.02420	2.3
203.03378	9.1
206.99303	11.5
208.00012	5.8
208.70697	2.1
209.02478	2.3
211.04019	5.2
213.01836	2.8
214.02640	2.7
215.03424	14.3
217.04964	7.3
219.02881	2.7
226.02736	2.0
226.47775	2.0
227.03433	27.1
228.03926	2.8
229.05081	4.9
230.02092	4.1
231.02969	14.0
241.05087	3.2
242.02171	5.6
243.02963	28.5
245.04495	23.0
249.04248	2.5
255.02933	24.8
256.03488	4.3
257.04379	2.1
270.01691	5.2
271.02435	24.3
272.02963	3.3
273.04053	13.2
284.03159	5.3
285.04031	31.6
286.04645	5.8
287.02005	18.1
287.05576	9.1
289.03519	7.9
299.01978	23.8
299.05338	3.7
300.02667	3.4
302.04321	18.2
317.03012	100.0
317.06317	5.8
317.10327	3.2
317.14435	10.4
318.03387	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	315.0874
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
55.01752	0.4
59.72473	0.2
71.24054	0.2
71.24392	0.2
79.01761	15.9
80.02101	0.6
81.52415	0.2
82.90324	0.2
85.06461	0.4
91.05424	1.1
94.44990	0.2
96.95901	0.6
107.04905	0.7
109.02831	1.8
111.04407	2.1
117.03372	0.3
121.02836	0.9
123.04383	0.5
127.61069	0.2
133.02847	0.5
134.03639	1.8
135.04410	100.0
136.04742	3.9
137.02312	0.3
148.17392	0.2
151.03885	1.0
152.45369	0.2
153.05493	3.9
161.02322	1.3
165.01826	0.6
179.03413	57.2
180.03751	2.5
193.04991	0.5
197.04482	1.4
205.04848	0.4
268.47040	0.2
272.02686	0.2
297.07681	0.3
300.02872	0.4
315.05121	1.4
315.08725	15.8
315.12607	1.2
315.62793	0.3
316.05685	0.3
316.08981	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01785	1.9
56.74723	2.0
67.25906	2.0
70.78187	3.8
70.78516	3.3
71.01252	3.4
73.19013	2.3
83.01272	4.3
85.02829	3.0
87.00761	3.1
93.03294	3.3
107.04877	6.1
108.02017	6.5
109.02829	30.0
111.26614	2.1
125.02322	4.1
134.03638	25.3
135.04410	100.0
151.00243	3.7
152.01036	6.0
153.01830	63.5
153.05380	3.3
155.59058	2.0
232.56563	2.1
315.07278	8.5
315.15668	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	315.1964
Annotation	seco-Hinokiol
Peak:m/z	Relative Intensity
54.62587	1.5
59.01255	1.7
65.00188	2.2
69.16783	1.5
74.29881	1.5
76.89175	1.7
79.05410	7.6
83.04890	4.6
96.95897	2.0
119.08558	17.5
121.06489	2.0
122.94324	1.6
123.04393	8.7
131.08557	6.2
137.09645	3.5
141.99516	1.5
145.10074	1.6
153.05515	7.4
187.14882	3.2
189.96434	1.4
190.75148	1.7
215.97058	1.6
229.90192	1.7
237.16617	2.3
253.19640	6.3
271.20651	21.3
300.02676	4.6
315.05048	4.9
315.16327	4.2
315.19601	100.0
315.25433	4.0
316.20026	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03315	3.3
59.01244	3.7
60.12645	1.1
60.26970	1.1
65.00180	3.9
68.75771	1.0
70.07887	4.7
71.01250	2.0
72.99164	2.4
83.01250	9.4
85.02817	1.5
89.02338	1.8
91.05133	1.0
96.95842	1.4
97.02847	1.9
98.20535	1.4
103.91948	1.3
107.01259	7.9
108.02056	11.5
109.02836	43.2
113.02320	1.6
120.28210	1.5
122.89369	1.8
123.00818	1.6
124.01536	3.4
125.02328	37.7
126.02708	1.3
135.04404	2.2
137.02307	1.6
139.03888	3.4
142.18196	1.0
149.02299	1.4
149.99512	4.3
151.00264	70.6
152.01094	8.1
153.01830	82.6
154.02107	2.0
165.01822	3.6
168.00574	14.8
169.01329	45.5
170.01709	2.2
177.01860	1.4
183.02977	1.1
195.02876	3.9
205.92236	1.3
259.15015	1.3
296.04865	1.1
297.06219	1.5
315.07199	100.0
316.07593	6.3
316.10962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
65.00206	0.6
65.21862	0.4
69.86120	2.3
77.03806	0.5
79.01794	0.7
93.60018	0.4
95.39130	0.5
96.95882	3.5
98.20535	0.9
98.30382	0.4
102.66379	0.4
106.97130	0.4
107.01297	1.1
108.02067	1.8
121.02802	0.5
122.90677	0.4
123.04398	1.1
125.02379	0.5
135.00732	0.9
135.04446	1.0
148.01553	2.6
149.01291	0.7
149.02345	3.6
151.00246	1.4
153.01796	0.6
153.05475	1.9
163.00348	0.5
164.01027	0.7
165.01886	1.5
198.03250	0.7
199.03934	1.5
211.03899	0.9
215.03444	1.2
215.66660	0.5
216.04193	0.6
226.02731	1.1
227.03450	2.9
242.02164	0.6
243.02946	10.8
244.03357	1.0
254.02199	1.7
255.02956	24.1
256.03333	1.7
271.02472	56.3
272.02975	4.7
299.01956	1.5
300.02725	100.0
301.03113	8.3
315.05078	52.8
315.12531	4.2
315.15375	0.5
316.05435	4.4
316.28778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54680	0.2
55.23034	0.2
57.03307	0.2
58.68818	0.2
63.02266	0.5
63.24716	0.2
65.00195	1.7
70.40199	0.7
79.95604	0.4
83.01247	0.9
91.56055	0.2
95.01270	0.3
96.95862	0.8
107.01264	2.8
121.02783	0.2
123.00771	0.3
123.04375	0.2
124.01510	0.9
124.50487	0.2
125.02323	0.7
134.03708	0.3
135.04410	2.7
137.02403	0.2
145.02844	0.3
148.01552	2.6
149.02351	1.0
149.99423	0.2
151.00275	6.3
152.01024	0.3
161.02408	0.3
163.00273	0.2
169.01384	0.2
174.03113	0.3
175.00455	0.2
175.03900	0.5
177.01845	0.6
178.99803	0.4
179.03470	1.0
183.04466	0.2
185.02357	0.2
187.03886	0.3
188.04718	0.4
190.02625	0.4
197.04482	0.4
198.03148	0.2
199.03938	0.5
201.01880	0.5
202.02602	0.4
203.03369	0.7
204.04074	0.3
205.04922	0.2
215.03470	1.4
216.04172	0.8
227.03465	0.8
228.04216	0.4
229.01492	0.3
231.02962	0.5
243.02930	2.0
244.03537	0.3
255.02957	0.3
256.03705	0.8
259.02344	0.3
271.02432	2.4
272.03241	16.5
273.03589	0.9
283.02429	0.4
287.01926	0.8
299.01926	0.8
300.02728	100.0
301.03091	7.5
315.05087	47.5
316.02100	0.4
316.05447	4.0
316.09036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
62.57609	0.3
65.00198	3.5
66.42418	0.3
67.40002	0.2
70.29008	0.5
70.29366	0.7
72.20735	0.3
77.03834	7.2
79.01763	20.6
80.02090	0.4
82.79546	0.3
93.03335	3.9
95.04919	0.3
96.95898	0.4
97.02828	5.2
98.20450	0.6
107.04894	0.4
109.02843	5.4
109.32115	0.3
119.77292	0.3
119.91873	0.3
120.34288	0.3
121.02845	41.8
122.03104	1.4
123.04411	0.7
125.02351	0.3
133.02829	0.8
135.04382	0.5
137.02338	2.1
139.03899	2.9
145.02876	0.4
147.04483	0.4
149.02339	3.5
150.03127	0.6
161.02371	0.8
163.00276	0.3
163.03992	0.5
165.01843	55.9
166.02148	2.2
170.80064	0.3
177.01849	2.7
178.02608	1.1
183.02905	3.5
183.04344	0.4
187.07497	0.4
193.01360	17.1
194.01730	0.6
197.06049	0.6
199.07593	0.4
201.05527	0.3
206.02135	0.6
207.02925	1.1
215.07080	0.7
219.06651	0.3
225.05600	1.5
241.04929	1.6
243.06697	1.4
244.03673	0.4
257.04651	0.6
259.06076	2.5
269.04602	1.8
270.04999	0.5
271.06174	0.4
272.03104	0.3
285.03964	0.4
287.05698	2.4
297.04028	0.5
300.02975	0.5
314.04111	0.5
315.05090	100.0
316.05380	6.9
316.08868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.9
61.98698	0.2
63.80904	0.2
70.86093	0.5
70.98170	0.3
71.01253	1.0
83.01292	0.3
83.90378	0.3
85.02819	1.5
85.74589	0.3
86.59636	0.2
89.02329	0.5
93.03320	3.0
98.19913	0.3
101.02309	0.4
107.04933	0.4
108.02048	0.9
109.02820	0.9
119.01346	0.2
119.04915	7.1
120.05246	0.4
121.02838	100.0
122.03178	2.9
133.02843	0.9
134.03642	0.2
135.00684	0.2
135.04434	0.5
139.03870	0.3
139.11142	0.3
143.04973	0.4
145.06491	0.8
147.08073	1.2
149.02306	0.6
151.03943	0.3
157.06448	0.3
159.04405	0.3
161.04478	0.3
163.00241	0.5
165.01819	0.3
171.04317	0.3
173.06006	0.3
176.64310	0.3
183.01140	0.3
185.06013	0.5
189.09200	0.5
191.07043	5.4
206.64497	0.3
211.03944	0.4
213.05518	1.0
214.02617	0.4
215.03386	0.3
226.02693	0.4
229.05005	0.6
233.08044	3.0
241.05049	0.9
242.02213	0.6
249.09193	1.6
249.11443	0.3
250.09796	0.4
251.10725	13.7
252.11046	1.7
255.03043	0.6
257.04443	0.8
265.08609	1.2
269.08289	0.3
270.01572	0.3
270.05255	0.4
283.02591	0.3
285.04031	6.9
286.04340	0.4
298.04831	2.8
313.03516	9.0
313.07178	4.9
313.10983	2.6
313.14673	0.6
313.23807	0.7
313.62143	0.2
314.04059	1.3
314.07245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.91997	0.3
58.79886	0.3
59.01303	1.2
65.00266	1.5
71.01320	1.1
71.52932	0.4
78.55005	0.3
85.02864	0.4
89.02355	0.4
91.01772	2.5
93.03381	0.6
95.01285	0.4
96.94151	0.4
97.02837	2.4
108.02113	1.1
109.02852	1.8
117.03387	0.5
119.01361	0.4
119.04953	0.5
120.09818	0.4
120.99593	0.8
121.02836	6.8
124.01616	0.6
132.02028	2.2
133.02844	12.9
135.00778	4.2
135.04440	0.5
137.02408	0.4
138.03165	0.4
145.02942	0.4
145.84430	0.4
149.02437	1.3
149.99500	0.5
151.00342	0.8
153.01811	1.7
160.01665	0.8
161.02361	5.4
162.02869	0.4
165.01840	5.9
165.02998	0.5
167.05119	0.5
175.03987	1.0
176.04800	1.2
177.05504	2.1
179.01694	0.5
183.02979	0.4
183.04521	1.4
186.03014	0.5
187.04047	0.5
189.01909	0.7
195.01195	1.7
197.06120	0.7
198.03252	0.6
199.03961	1.0
201.05493	2.9
201.24347	0.4
209.02734	3.6
210.03477	5.9
211.03932	11.3
212.04398	1.1
212.45099	0.4
213.05577	0.8
215.03502	0.4
224.04805	1.3
225.05824	23.1
226.02768	0.9
226.06253	3.5
227.03456	5.3
228.04021	0.7
239.03548	2.1
240.04356	1.5
241.05025	3.6
242.02222	0.6
242.05502	0.5
244.42410	0.4
251.03584	0.7
251.10811	0.9
253.04985	0.8
255.02971	17.8
256.03540	0.9
268.03751	7.1
269.04544	27.3
270.05270	10.7
271.05719	1.2
283.02472	4.8
285.04053	1.1
297.04089	2.6
298.04813	53.6
299.05151	4.0
313.07162	100.0
314.03986	0.7
314.07486	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10053	0.3
54.72218	0.3
55.01758	0.7
58.29515	0.3
59.01248	0.7
65.00178	0.3
69.65620	1.1
69.66033	0.5
74.46492	0.3
79.01767	3.7
81.52142	0.3
86.38817	0.3
89.03796	0.4
91.05389	0.9
92.08269	0.3
93.03352	0.5
96.95882	0.6
105.03338	0.6
107.04900	1.5
108.02074	0.5
109.02816	0.9
111.04392	1.5
116.97238	0.3
119.04888	0.5
121.02838	1.3
123.04404	2.9
125.02294	0.4
132.02092	0.9
133.02846	12.7
134.03577	0.6
134.06601	0.3
135.04408	19.8
136.01625	0.4
136.04706	0.6
145.06326	0.3
147.04384	0.7
149.02330	1.9
149.05978	0.9
151.00218	0.4
151.03922	0.7
153.05470	0.4
161.02356	1.7
163.03908	0.6
173.02286	0.4
174.03113	0.6
175.03926	1.0
177.01807	1.5
177.05402	0.8
179.03435	3.7
183.04361	0.6
185.02324	0.5
185.05963	0.5
198.03113	1.0
201.01785	1.0
203.03374	0.7
204.04169	0.5
205.05011	1.2
211.03818	0.4
213.05493	2.4
213.09030	0.5
214.02621	1.3
215.85558	0.3
225.05472	1.0
226.02628	1.6
226.06189	0.8
227.03439	1.1
239.07091	0.5
241.04965	0.9
241.08687	0.8
242.02147	1.3
242.05852	0.5
243.02979	0.6
251.06950	0.4
255.06480	0.4
257.08228	2.0
267.06754	0.5
269.04599	0.6
269.08041	0.8
270.01660	2.4
270.04926	0.6
271.02371	2.4
271.05356	0.6
274.01196	0.4
285.04019	4.1
285.07599	1.8
295.06076	0.9
296.06766	0.6
298.04767	3.0
299.01990	3.7
299.05017	0.6
311.05542	0.8
312.06430	0.4
313.03674	7.2
313.07132	100.0
314.04156	2.8
314.07489	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
56.93785	0.3
59.01248	0.5
73.12379	0.3
76.00638	0.2
79.01764	3.4
89.66532	0.3
91.05401	0.6
104.86821	0.3
105.03352	0.4
109.02809	0.5
111.04381	1.4
121.02841	13.8
122.03138	0.4
123.04438	0.3
132.02083	0.5
133.02844	25.7
134.03175	0.7
135.04410	4.3
149.02344	0.5
149.05983	1.4
151.03888	0.6
159.04379	0.3
162.03108	0.4
165.01825	0.3
175.03883	1.0
177.05501	2.2
179.03404	3.5
181.06462	0.7
183.04430	0.3
185.05981	0.8
195.04446	0.3
198.03345	0.4
201.01813	0.6
211.03925	0.4
212.04707	0.7
213.05443	3.3
225.05533	1.0
225.09244	0.3
226.06245	0.5
227.07167	0.4
231.10150	0.7
241.04974	0.8
241.08701	0.4
242.02112	0.4
243.06540	0.7
254.05785	1.0
255.02934	1.1
257.04575	0.9
267.06677	0.5
269.04706	0.5
269.08057	0.6
283.02478	1.1
285.04037	3.5
285.07364	0.5
295.06009	0.8
298.04749	1.8
311.05652	0.5
313.03717	6.4
313.07138	100.0
314.04205	0.6
314.07480	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12680	0.1
55.45538	0.2
59.01255	0.4
60.98577	0.2
67.19318	0.2
67.71603	0.2
70.85890	0.3
70.86205	0.2
71.01261	0.2
73.12336	0.2
77.03840	0.2
77.29133	0.1
79.42195	0.2
87.77923	0.2
93.03316	0.4
121.02839	100.0
122.03183	3.2
145.29958	0.2
157.48520	0.2
179.78758	0.2
180.05670	1.0
181.06499	4.7
182.06779	0.3
214.35309	0.2
225.05516	6.8
226.05910	0.5
235.93719	0.2
253.09329	0.2
269.07910	0.4
285.03976	0.4
298.04898	0.4
313.03802	0.7
313.07138	13.8
313.23874	0.4
314.07367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30625	0.3
59.01260	0.7
65.00204	0.4
70.92313	0.3
70.92648	0.4
79.01803	1.0
95.01299	0.5
96.95908	0.6
97.02902	0.4
105.03358	0.5
107.01262	1.6
108.02060	2.4
109.02876	0.7
118.56504	0.3
121.02834	2.4
122.03659	0.5
123.00822	0.4
132.02095	0.5
132.23308	0.3
133.02855	1.7
134.03639	3.8
135.00775	2.0
135.04410	0.6
136.01569	9.9
137.02354	4.5
145.02873	0.5
148.01602	0.5
149.02376	2.2
150.03178	0.8
158.03677	0.5
161.02385	0.7
163.00266	4.3
164.01053	5.4
165.01822	1.5
167.03430	0.6
169.06519	0.4
176.01083	0.6
183.04459	0.7
186.06871	0.4
187.03946	0.9
189.01846	2.3
190.02686	0.6
197.06061	0.9
198.06792	0.6
199.03885	2.1
200.04468	0.4
208.00121	0.6
211.04028	0.9
212.04706	0.5
213.05515	4.8
214.06213	3.6
224.04718	0.6
225.05531	4.0
226.06290	1.5
227.03415	3.9
239.03619	0.4
240.04140	0.4
241.05022	19.7
242.05623	3.0
251.10501	0.4
253.05005	4.6
254.05618	0.9
255.02988	3.2
269.04556	7.1
270.05319	7.5
271.05786	0.4
280.03842	0.4
281.04651	0.5
283.02509	0.9
285.04001	1.5
297.04037	2.3
298.04810	92.3
299.01746	0.4
299.05154	7.6
313.07156	100.0
314.03995	0.8
314.07507	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93853	0.4
59.01278	0.7
61.00953	0.4
65.00225	0.9
70.38937	0.7
77.03889	0.4
79.01834	1.0
89.02328	0.4
95.01293	0.8
104.07510	0.3
105.03343	0.5
107.01328	1.6
108.02052	1.9
109.02918	0.7
121.02832	1.7
122.03653	0.6
123.00821	1.2
132.02101	0.9
133.02872	2.3
134.03633	4.2
135.00783	3.2
136.01573	9.1
136.02551	0.5
137.02373	4.3
148.01607	0.6
149.02422	1.3
150.03214	0.7
160.01680	0.4
161.02409	1.1
163.00281	4.9
164.01064	4.8
164.02139	0.4
165.01868	2.0
169.06557	0.4
172.05020	0.3
174.03127	0.5
176.01108	0.5
177.01804	0.4
185.06036	0.5
186.06786	0.4
189.01871	3.2
197.05971	0.7
198.06752	0.5
199.03995	0.6
201.01797	0.4
208.00095	0.7
211.03934	0.6
213.05527	5.0
214.06285	4.4
224.04761	0.4
225.05518	3.9
226.06277	1.4
227.03445	2.5
228.04402	0.4
241.05032	16.4
242.05751	3.7
253.05025	4.3
254.05887	0.8
255.03069	2.1
269.04550	8.3
269.07312	0.7
270.05322	9.8
271.05768	0.9
280.03717	0.5
281.04666	0.6
297.04059	4.2
298.04822	95.4
299.05157	8.3
313.07166	100.0
313.23645	0.9
314.07504	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	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28897	1.9
53.04011	2.0
57.03318	14.4
59.01251	8.4
70.09160	3.1
70.09531	4.1
71.01268	10.6
72.99168	4.2
75.00723	1.9
83.01247	2.6
84.02018	2.6
85.02824	100.0
86.03152	1.9
91.21315	2.1
95.01224	2.4
101.02328	2.3
103.00240	2.3
106.94101	1.9
111.00786	4.3
112.49104	2.1
115.00237	5.7
119.03393	2.0
121.02846	24.7
122.03180	2.8
123.25692	1.9
129.01804	10.0
139.00275	2.2
147.02878	12.2
153.01848	3.5
153.05515	9.1
166.99741	3.2
173.73447	2.0
191.01891	14.0
197.04486	30.7
207.96201	1.8
313.05643	2.7
334.26694	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	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.2
57.03091	1.0
57.03329	12.5
59.01249	7.0
61.56515	0.9
64.00607	0.8
70.59626	2.8
71.01241	5.1
72.99148	1.4
75.00746	1.8
83.01248	3.6
84.02042	3.0
85.02818	100.0
86.03172	1.6
87.00733	1.1
89.02311	1.3
99.00773	1.3
101.02317	3.3
108.02074	7.4
108.02685	1.5
109.02838	4.0
111.00759	2.5
117.83837	1.1
121.02851	6.1
129.01810	9.5
147.02882	12.0
147.36163	1.0
149.00108	1.0
171.71220	1.1
173.00832	1.3
191.01875	15.9
253.09021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60987	0.6
51.67798	0.5
54.92844	0.5
57.03315	1.0
58.00463	6.6
59.01258	2.7
64.50681	0.5
70.81085	0.5
70.81429	1.3
73.02822	1.1
83.04860	0.6
90.41148	0.5
109.06504	1.2
119.04905	1.0
121.10092	0.7
125.09657	2.7
125.10392	0.5
127.07551	3.5
127.11178	8.0
137.09586	1.0
139.11150	1.6
155.10733	3.0
163.03918	1.0
165.09120	2.1
171.10173	8.3
182.04166	0.6
183.10103	1.0
183.13814	14.1
195.13747	1.5
197.11771	1.1
199.09711	2.0
201.11259	54.9
202.11627	2.6
211.13301	2.0
213.14897	4.0
223.13300	1.5
231.21219	0.6
241.14479	3.2
275.20154	4.8
293.21222	8.6
294.21533	0.9
311.22260	100.0
312.22607	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03329	1.1
59.01249	10.4
69.43472	1.1
71.01250	2.1
79.13437	1.1
97.02833	1.4
99.08025	2.3
101.02344	2.0
111.95056	1.1
112.56398	1.2
113.09592	1.2
125.09610	4.2
139.11183	7.4
141.09113	1.7
167.10718	1.8
171.10187	12.1
183.01114	4.5
185.11687	1.6
193.12222	1.9
199.13347	2.8
200.10461	2.3
211.13290	2.8
219.36815	1.2
247.17056	1.6
249.22351	1.4
251.11377	1.4
265.21841	1.3
285.04156	1.3
293.21222	13.9
294.21417	1.5
311.13220	3.0
311.17096	7.9
311.22263	100.0
311.29626	4.1
311.83377	1.3
312.22632	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
58.00455	1.0
59.01252	9.1
69.03342	1.0
70.65688	1.8
71.01253	1.0
83.04907	1.5
88.52386	0.8
95.02010	0.9
99.08037	6.4
101.74313	0.8
111.08037	1.0
113.09602	6.8
127.07526	1.8
127.11160	1.0
129.09094	13.6
135.11693	1.4
137.09552	1.1
139.11157	4.1
151.11185	0.9
153.12747	7.0
155.10710	2.0
157.08614	15.0
163.11168	0.9
169.12206	2.7
171.10179	6.7
177.74585	0.8
181.12251	7.6
181.32967	0.7
183.01108	2.5
183.10323	1.0
183.13760	5.1
187.09688	0.8
193.12257	2.9
197.11757	12.0
199.13263	5.0
201.11224	2.2
211.13322	24.2
212.13634	1.3
242.88301	0.9
275.20023	5.8
293.21194	27.2
294.21518	2.0
311.16635	3.7
311.22253	100.0
312.22534	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	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
54.95389	0.8
57.03315	1.5
58.00460	1.0
59.01239	3.3
60.34998	0.8
61.41176	0.8
68.82540	0.7
71.09910	0.9
71.10231	0.8
83.04897	1.5
84.61367	0.7
99.08018	3.2
111.08029	0.9
113.09604	4.1
115.41710	0.8
127.11260	1.4
129.09103	7.9
139.11197	3.6
151.11198	1.0
155.10616	0.9
165.09111	0.9
167.10667	0.9
169.12231	3.2
171.10175	14.9
181.12257	6.8
183.10188	1.3
183.13812	3.2
185.11771	3.4
193.12277	2.7
197.11755	15.5
199.13330	8.2
201.11252	2.1
211.13335	23.5
212.13622	0.8
214.44255	0.7
275.20160	2.9
293.18005	1.5
293.21228	23.8
294.21503	1.8
311.22269	100.0
312.22623	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.9
59.01237	1.2
61.39832	0.7
69.03329	0.8
71.01250	0.7
71.04896	0.9
71.19267	1.3
74.49265	0.7
77.46478	0.6
81.84009	0.6
83.04899	1.4
95.01267	2.3
97.02816	0.8
99.00744	7.0
102.98931	0.6
111.00774	1.3
111.08030	3.4
113.09636	4.2
119.08554	2.8
123.00763	1.2
123.15323	0.7
125.09592	1.5
135.11595	0.7
137.05896	1.0
137.09641	4.9
141.12715	0.7
149.09676	1.3
151.03920	21.4
151.06352	1.4
151.07556	32.0
152.08333	35.8
153.08922	1.5
156.08348	0.7
163.11183	1.1
165.12720	1.3
167.07005	0.8
167.10689	1.4
171.10182	13.3
172.10596	0.8
173.61453	0.7
175.07547	1.3
179.14348	0.9
180.07808	0.8
184.07265	5.1
185.11827	1.9
190.09920	2.7
193.08626	3.7
195.10185	6.2
195.13850	1.3
197.11752	9.3
208.10985	4.3
209.15405	60.2
210.15675	4.4
211.13269	1.3
213.11267	0.8
221.15462	1.3
223.13336	0.9
229.19785	0.7
238.44650	0.7
239.16049	0.7
247.17020	2.5
247.20634	1.7
252.10013	10.9
265.15497	0.9
265.18130	12.6
266.18335	1.5
273.18704	3.3
279.59332	0.8
291.16125	5.0
291.19614	30.7
292.20029	2.3
309.17044	100.0
309.20667	34.8
310.17386	9.7
310.20975	3.1
318.06046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.03306	0.7
59.01255	7.0
70.43730	1.0
70.44101	1.1
71.01269	0.9
74.08903	0.5
97.06479	0.8
101.02343	0.9
113.02337	0.7
113.09598	0.7
119.04912	1.3
121.02836	1.6
122.03584	1.1
157.08589	0.8
163.03954	0.7
167.14345	1.8
171.10217	0.8
172.10443	0.5
182.20802	0.5
201.11327	0.7
203.84738	0.6
207.17419	0.6
211.13348	1.3
223.20587	1.8
233.15477	0.6
249.18538	4.9
250.18866	0.5
251.11444	0.8
267.19647	100.0
268.19977	8.0
268.22589	0.8
275.16534	8.8
276.16833	0.5
285.04156	0.6
293.17618	33.5
293.20923	3.8
294.17923	2.9
294.20844	0.5
302.53253	0.5
311.18625	27.7
311.22241	12.5
311.29584	1.0
312.18979	3.1
312.22464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92200	1.5
59.01253	3.2
71.01258	1.6
71.10268	1.8
73.02817	2.1
111.08031	31.7
127.07519	2.3
148.68336	1.3
149.09734	1.5
151.03819	2.0
151.07518	2.6
151.11221	1.6
152.08347	2.1
153.12732	2.3
163.91837	1.3
169.12248	6.2
181.12238	2.0
188.31920	1.2
197.11761	100.0
198.12135	6.5
199.13358	3.5
209.15364	4.2
211.13257	8.0
217.77145	1.3
225.14890	2.5
227.12840	3.8
233.52988	1.8
263.20145	5.9
265.17941	2.2
291.19647	17.3
292.19952	2.2
309.17120	3.9
309.20633	33.8
309.24277	2.2
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	2.5
59.01243	5.5
65.88489	2.2
67.02625	2.5
69.03335	2.8
71.04892	6.6
71.10491	3.0
75.73434	2.0
83.04894	2.8
96.58876	2.5
111.08041	34.5
137.09604	3.2
153.12732	2.9
161.17751	2.4
169.12260	8.8
171.10168	10.3
181.12306	4.2
183.13817	5.2
188.37286	2.5
195.13800	5.0
197.11757	100.0
199.13374	3.0
207.13858	3.3
209.15427	33.0
211.13359	10.0
221.15491	2.6
223.17009	8.4
225.14912	21.6
227.12811	4.3
233.15480	6.7
251.16563	19.7
263.20160	4.1
265.18066	4.2
268.94858	2.6
291.19611	36.9
292.19989	2.5
309.17120	11.5
309.20721	50.6
310.21140	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	3.5
59.01251	6.6
67.01745	3.7
69.03336	1.3
71.01241	3.4
71.04877	4.4
71.23886	2.6
80.02536	9.5
81.03314	5.4
83.04893	31.0
84.02036	13.0
95.01321	1.5
95.04905	1.6
96.95887	2.6
97.06439	4.0
99.00742	2.0
99.08041	8.2
109.06429	3.4
111.08028	2.4
113.09617	2.3
115.07524	5.8
119.08521	1.9
123.04393	3.7
123.08002	1.9
125.09599	6.0
127.11184	6.5
132.35347	1.5
135.46066	1.2
137.09612	53.9
138.09952	2.4
139.11131	8.8
141.98772	1.2
142.02530	1.9
150.96918	1.2
151.03845	3.7
151.07507	5.5
151.11145	6.3
152.08308	4.1
153.09128	9.7
153.12767	1.9
154.09741	1.7
155.10678	51.5
156.10928	1.9
163.70351	1.2
165.12688	1.6
167.10652	4.6
169.12273	1.9
171.10176	51.6
172.10497	2.3
179.10625	1.3
193.10732	1.7
193.12283	25.9
194.12531	1.7
195.13747	2.6
197.11774	1.5
209.11810	6.6
209.15411	9.8
211.13289	4.6
221.11702	1.5
247.20668	9.0
263.20020	7.9
265.18094	1.6
265.21622	6.9
281.21219	3.0
291.19653	100.0
292.19955	12.1
309.16998	13.6
309.20609	82.3
310.20990	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30174	0.8
57.03326	2.4
59.01251	8.3
69.03329	2.2
69.45177	6.4
71.01249	3.6
71.04890	1.5
80.02548	2.5
80.96414	1.2
81.03326	3.0
82.04900	0.9
83.01269	7.8
83.04877	5.3
85.02819	1.2
95.04902	2.0
96.95822	2.1
97.02820	2.0
97.06458	4.3
98.20557	2.1
101.02331	1.4
102.86439	0.8
109.06466	1.3
111.07999	1.7
113.02308	1.0
123.04413	2.6
123.08031	3.9
125.09638	9.3
125.15391	1.0
127.07546	1.1
127.11150	2.2
127.82446	0.9
129.09093	1.1
135.08116	1.0
137.09613	2.9
139.11172	10.4
140.11555	1.1
147.06483	1.0
147.97031	0.9
151.03973	2.3
151.07529	3.8
151.11176	1.0
152.08269	3.6
162.10385	1.2
163.11194	7.1
165.12746	14.8
167.10689	6.3
168.11455	2.0
171.10178	4.2
181.12283	4.0
183.13853	1.6
184.86322	0.9
185.11697	2.0
191.10736	3.4
193.12201	1.3
193.15898	6.4
197.11702	1.4
205.15752	0.9
209.11772	52.2
209.15077	6.3
210.12132	3.7
211.13123	1.3
219.62161	0.9
245.19119	1.0
247.20607	13.4
251.19919	0.9
252.09901	1.0
263.20087	1.1
265.18268	1.8
265.21710	4.8
273.18524	3.8
281.21207	2.4
291.19659	100.0
292.20041	9.3
309.11987	1.1
309.17044	16.1
309.20694	33.2
310.17896	1.2
310.21201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.82748	1.0
57.03321	1.9
59.01237	2.5
66.17354	1.1
66.41252	1.0
67.01746	2.0
70.54377	3.2
71.01235	1.3
71.04929	1.0
73.82687	1.0
74.58315	1.1
93.88887	1.1
95.04900	1.2
97.02851	1.8
97.06456	2.4
102.94152	1.0
111.08032	4.2
121.10115	8.2
125.09614	7.7
135.82765	1.0
137.09650	6.0
141.12679	1.1
163.29503	1.3
171.10190	10.4
185.11732	11.3
195.13864	1.8
197.11740	10.4
209.11752	2.0
211.13332	62.4
212.13655	3.4
227.39268	0.9
251.16451	2.0
273.18625	1.4
291.19644	100.0
292.19965	9.8
309.20581	9.6
310.20865	1.2
326.97385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.3
58.30932	1.9
59.01249	12.5
67.01746	2.3
69.03315	3.3
70.73193	3.1
70.73529	3.0
71.01236	5.3
71.04880	2.2
73.02787	2.0
80.02543	14.3
81.03303	5.5
83.04468	2.7
83.04895	35.2
83.21853	1.6
84.02039	12.9
85.02837	2.3
93.03359	3.3
95.01242	2.1
95.04871	2.6
96.95869	4.6
97.06445	6.5
99.00747	3.1
99.08006	8.2
101.02264	3.3
109.06439	4.8
111.07986	2.6
113.09590	2.9
115.07496	5.0
119.08425	2.2
123.04395	2.7
125.09598	7.2
125.92706	1.8
127.07558	1.9
127.11127	5.6
135.07968	2.1
137.09619	64.9
138.09882	2.8
139.11168	17.5
151.03835	6.4
151.07512	12.9
151.11119	6.4
152.08244	7.6
152.37460	1.7
153.09149	9.2
155.10686	66.6
155.14188	2.4
161.05733	2.0
167.10641	3.9
169.12187	2.4
171.10179	72.7
172.10475	4.1
187.07596	2.0
193.08536	3.5
193.10483	2.1
193.12259	31.3
194.12465	3.0
195.13837	2.8
197.11769	4.7
209.11699	8.1
209.15353	16.2
211.13332	9.9
237.05605	3.0
239.06969	4.2
247.20544	7.4
251.06982	7.8
252.07634	2.2
252.10028	2.7
263.20053	7.5
265.17990	4.0
265.21570	5.3
291.19650	100.0
292.19882	9.9
309.14716	16.1
309.17245	17.1
309.20575	86.4
309.24271	4.9
310.20807	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.8
58.00457	2.0
59.01246	6.1
63.55061	1.5
68.30267	1.4
69.03326	4.1
70.54622	4.4
70.54973	1.6
83.04912	2.5
86.73904	1.9
88.25840	1.5
95.81381	1.6
109.67102	1.7
111.08034	6.9
114.07528	1.9
119.08555	14.2
125.09624	8.3
127.11168	4.6
135.08051	3.3
137.09618	28.9
151.03865	2.3
151.07532	3.0
151.11191	2.9
152.08315	4.6
153.09047	1.6
155.10706	5.3
167.10631	3.9
169.12267	2.3
171.10179	100.0
172.10629	3.6
183.10159	6.4
185.08063	1.7
185.11765	28.1
186.12012	2.0
197.11780	12.2
201.11229	7.3
203.47701	1.5
209.15369	9.7
211.13310	4.7
213.11235	7.8
213.50758	1.6
225.14957	3.1
233.15363	2.8
247.20763	2.1
251.16455	5.6
252.10057	1.9
265.17987	2.8
273.18643	7.8
291.19656	38.0
292.19946	3.2
309.17075	11.6
309.20697	38.5
310.17642	2.2
310.21027	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01746	1.6
57.03331	5.6
57.03553	1.0
59.01247	8.9
60.60539	0.9
65.03807	0.9
69.03330	1.9
69.48055	3.2
69.48462	2.4
71.01245	3.3
71.04891	31.3
73.02818	1.4
77.00475	0.9
85.02827	1.4
89.02307	1.0
93.06924	0.9
95.04880	2.7
96.95863	1.7
97.06466	10.3
100.06483	0.9
101.02348	2.1
107.04913	1.6
111.08052	6.8
115.03928	1.0
119.08524	3.1
121.10132	7.8
123.08038	2.8
125.09599	7.9
127.11150	2.2
135.08058	2.3
137.09615	37.4
138.10004	2.4
141.12723	2.3
147.06546	1.3
147.07983	1.0
171.10173	92.3
172.10521	4.1
181.12152	2.2
185.11769	12.9
195.13826	3.4
197.11775	15.3
201.11197	1.2
207.13853	3.2
209.11768	1.3
209.15399	2.9
211.13263	2.7
219.13826	4.2
221.15428	1.3
223.16945	1.2
225.14781	2.6
227.12909	1.3
233.15425	3.9
235.16995	3.7
235.94444	1.0
237.14897	3.8
239.16510	2.1
247.20630	2.9
251.16516	32.0
252.16875	2.0
263.20102	1.4
265.17929	1.3
267.10577	1.0
273.18533	3.7
291.19662	99.0
292.19992	7.7
298.99973	0.9
309.17496	4.3
309.20688	100.0
310.21027	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98059	0.9
57.03333	8.8
59.01247	10.0
69.03320	4.6
70.43510	1.9
71.01239	2.9
71.04887	3.4
73.02805	2.1
83.04909	4.8
84.02013	1.5
85.02853	1.6
85.06460	4.4
87.04381	2.4
94.17879	1.0
95.04884	1.5
96.95923	1.3
97.02822	7.7
97.06454	2.7
101.02325	1.5
106.17664	1.0
107.08527	2.5
109.06460	4.9
111.04366	1.2
111.08049	1.7
119.08549	2.7
121.10188	1.0
123.04427	1.3
123.08009	1.1
125.09609	3.8
127.07598	1.5
127.11208	0.9
129.33551	0.9
137.09578	9.2
139.66487	1.0
146.10741	0.9
151.07556	1.1
151.11209	1.4
161.04410	1.5
167.10670	0.9
171.10181	16.6
177.12752	1.2
179.10703	1.7
179.14316	2.3
181.12138	1.0
183.10132	2.2
183.13831	3.5
195.13843	21.2
196.14160	1.7
199.13326	3.0
201.11211	5.4
205.12386	1.3
207.14053	1.2
207.17436	1.2
209.11780	1.8
211.13264	2.0
217.15576	1.2
221.11807	2.3
221.15388	12.7
223.13368	8.0
223.16885	5.5
229.19528	2.0
233.15405	8.0
235.16946	1.7
239.16458	3.3
247.20636	3.7
251.16484	25.5
252.16689	1.3
273.18652	5.2
291.19659	75.0
292.19925	6.8
309.20685	100.0
310.21014	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	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.3
57.77180	0.3
59.01241	1.2
59.08158	0.3
62.22687	0.3
63.94294	0.3
64.96870	0.3
71.01262	0.4
75.85376	0.3
79.95606	8.7
80.96387	1.1
85.28727	0.3
94.97961	0.6
95.95121	2.1
96.95888	81.0
97.95807	0.4
101.02279	0.3
122.97486	2.5
138.69910	0.3
138.96971	0.6
151.03897	0.6
151.07594	0.8
152.08362	0.4
171.10321	0.5
209.15350	1.5
229.18919	0.3
258.94406	0.3
265.18658	0.3
291.19638	0.4
291.23096	0.4
309.17398	100.0
310.17725	6.8
311.39639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03327	12.0
59.01241	22.5
71.01251	13.4
80.02566	9.1
96.95883	14.4
97.06448	8.8
99.00760	6.8
103.08183	5.5
111.08006	6.2
123.08048	16.0
125.09601	23.0
127.11205	8.3
137.09636	9.2
139.11166	9.4
140.39311	5.0
141.41766	5.1
151.03970	9.3
151.07498	26.0
151.11211	14.1
152.08305	16.2
155.10663	33.2
160.92314	4.8
162.85632	5.7
165.12772	14.7
167.10748	9.7
171.10181	100.0
181.12294	11.0
184.07352	8.3
185.11751	93.7
202.38266	5.1
209.11751	14.2
209.15450	29.9
247.20592	6.7
263.20026	9.3
265.18161	8.4
265.21637	5.9
281.21155	16.3
283.87680	5.8
291.19501	34.4
292.19861	6.1
307.12143	5.2
309.17123	71.3
309.20715	50.9
309.24081	6.7
310.17709	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	309.1706
Annotation	Blumeaene L
Peak:m/z	Relative Intensity
50.68300	0.8
57.03312	1.9
59.01251	54.9
61.98678	1.2
71.01232	2.0
71.04841	1.1
73.02814	1.5
81.06949	0.9
83.01263	1.0
86.72960	0.9
95.04903	0.8
101.02322	2.3
111.04401	19.7
112.59563	0.8
119.04907	0.9
119.08548	1.2
123.08082	1.1
147.06499	0.9
151.00217	0.9
151.07520	0.9
165.01828	2.0
170.07368	0.9
179.03410	2.5
205.15913	62.3
206.16219	3.8
213.05336	0.8
217.15961	1.5
223.16969	24.5
224.17329	1.7
235.17024	6.6
247.16917	2.1
249.15018	6.1
250.08351	1.6
265.10733	1.8
267.15982	30.3
268.16278	1.8
269.04568	1.2
309.17065	100.0
310.17413	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03299	5.3
59.01242	32.3
67.01656	4.2
69.03313	4.9
71.01248	14.7
71.04893	10.1
72.99140	4.3
73.02824	10.3
75.87603	4.1
81.03345	6.3
83.04891	13.1
84.02036	13.6
85.02810	10.2
85.06485	4.6
87.00727	4.6
88.31430	3.7
89.02302	7.9
95.04894	40.0
95.89058	3.9
97.02844	8.1
97.06459	11.1
101.02314	8.2
109.06458	18.1
111.04377	14.2
113.05957	49.8
121.06474	5.2
123.08026	6.4
125.09597	9.3
137.09607	17.4
144.25542	4.4
149.05974	5.6
149.09729	5.1
151.88730	4.8
161.04489	9.8
163.05951	5.5
167.10652	5.7
171.10077	5.1
177.12784	4.1
185.11696	6.2
193.12210	10.1
195.13838	7.8
211.13278	12.6
233.15411	20.2
234.33394	4.5
245.18996	19.0
261.18445	4.9
263.20184	8.0
289.18060	94.1
290.18433	8.6
307.10437	27.7
307.15729	9.7
307.19153	100.0
308.19598	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.05445	1.0
51.20464	0.8
59.01234	1.2
70.62680	0.9
71.01241	1.7
79.41530	0.9
85.61621	1.0
90.60309	1.1
105.90720	0.9
182.04454	1.0
194.25035	1.0
210.35678	1.0
223.51794	1.0
307.22766	100.0
308.23050	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	309.0981
Annotation	2,3-Dehydroneomajucin
Peak:m/z	Relative Intensity
59.01257	7.6
65.00164	1.2
67.01755	6.1
68.99676	1.1
71.01256	2.5
71.53287	1.6
72.99046	1.1
76.95310	1.1
85.02828	11.0
89.03855	1.2
96.95847	1.5
99.00771	1.2
108.02012	1.0
109.02829	1.1
111.00751	1.5
111.04384	2.1
115.03897	7.0
117.03338	2.6
119.04893	1.7
121.02827	1.8
123.00748	1.6
123.04420	2.7
129.01880	1.3
131.04907	3.3
133.02861	3.3
133.04996	1.2
134.03644	27.4
135.04410	4.5
136.05231	12.7
136.64044	1.0
137.02351	1.8
147.04381	3.3
147.08075	1.5
148.05196	2.8
149.02376	5.9
149.05960	2.5
161.02350	6.0
161.09718	1.1
162.03146	9.4
163.03932	30.8
164.04701	30.3
165.05313	3.6
168.04251	1.9
175.03990	2.5
177.01814	1.3
177.05507	16.0
178.02632	2.4
178.06068	1.1
179.03381	1.6
179.07065	15.0
189.09099	2.3
190.02702	2.3
191.03386	1.4
191.07059	2.4
192.04231	7.2
193.05005	28.1
205.08630	2.0
207.06563	18.3
215.07111	2.3
217.05064	1.6
219.06444	1.5
233.08171	19.1
247.09758	1.4
250.08415	3.0
260.50177	1.1
265.10794	52.5
266.11139	2.4
298.20120	1.2
309.09805	100.0
310.10309	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64348	1.2
57.03309	5.4
59.01253	8.0
65.74356	1.2
69.03323	1.9
69.35402	9.4
69.45486	1.2
71.01239	2.3
71.32768	1.2
73.02875	1.5
77.52679	1.2
78.49733	1.1
80.02544	3.6
81.03340	6.0
83.01230	7.4
83.04883	4.1
84.88354	1.2
95.04900	3.8
97.02843	7.9
97.06454	11.8
106.04156	3.5
109.06449	3.1
110.03622	1.6
119.08537	2.0
121.06492	3.0
123.04401	9.1
123.08034	5.0
125.09612	21.0
135.08031	3.4
136.05226	1.7
137.05969	2.2
137.09616	12.3
141.12773	4.0
142.02615	1.5
149.05980	4.6
160.08904	1.7
161.09607	1.3
163.07523	2.2
163.11192	16.3
165.12732	4.6
167.10710	1.6
171.10185	1.3
177.12804	2.0
179.10707	2.4
181.12271	4.3
185.11768	23.8
185.13403	1.6
191.10638	2.2
191.14352	20.3
192.14676	1.7
205.12189	1.5
207.10201	12.5
209.11771	31.2
210.12083	2.1
211.13490	1.3
217.15862	3.3
225.11279	11.2
226.12033	2.9
245.19069	47.2
246.19463	4.6
261.18204	1.3
263.20099	2.5
271.17108	6.2
289.18094	100.0
290.18362	8.1
307.10397	3.7
307.19125	52.3
308.19476	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66807	1.8
53.44001	1.7
55.01742	2.9
55.33893	1.8
57.03326	12.1
59.01247	21.2
60.66806	1.6
67.01742	2.0
67.05395	1.8
68.64122	1.6
69.03308	6.6
71.01247	10.4
71.04886	12.8
71.52902	2.6
72.61124	1.8
73.02815	8.3
79.95599	3.1
80.02542	5.4
81.03312	8.5
81.03768	1.8
83.01267	3.8
83.04890	16.1
84.02029	20.2
85.02816	4.7
85.06462	5.2
93.03360	2.0
95.04903	53.3
97.06467	6.8
98.03609	3.6
101.02321	5.7
107.04930	2.1
109.02838	3.1
109.06471	23.6
111.04397	15.4
111.08039	13.9
113.05969	68.5
113.09606	15.2
117.03355	3.3
123.04410	2.0
123.08047	2.2
125.05949	2.2
127.07534	5.6
135.04416	2.6
135.08000	1.9
137.09619	4.6
145.06555	2.5
149.05862	2.2
149.09625	13.8
151.11174	26.6
161.04434	6.4
163.11159	2.4
165.12769	3.9
167.10651	3.6
171.10063	3.5
183.13770	7.3
187.03955	2.7
191.98074	1.9
193.08656	6.9
193.12212	9.4
195.13879	10.2
205.16002	2.9
209.11780	33.5
211.13329	19.1
233.13574	1.9
233.15463	24.2
234.15857	2.1
235.13426	5.5
245.19058	9.1
247.85042	2.0
249.14845	4.1
251.16423	5.7
261.18607	6.0
263.20224	3.5
265.18024	9.6
271.16919	2.3
287.16342	2.4
289.18103	100.0
290.18436	8.9
307.06113	15.0
307.10229	11.6
307.15820	5.3
307.19116	94.9
307.22095	1.6
308.19565	9.1
308.38370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70158	2.2
57.03316	5.4
59.01246	19.0
69.03315	3.3
70.09438	8.5
71.01249	7.6
71.04913	2.6
72.99181	2.1
73.02804	3.0
80.02589	2.2
81.03338	3.7
83.01263	7.3
83.04903	3.9
85.02833	4.0
89.02297	3.5
95.01273	2.6
95.04913	4.0
97.02827	7.1
97.06454	8.6
101.02349	4.9
103.03881	2.7
106.04128	2.9
109.02849	2.4
109.06440	3.1
110.03625	2.1
113.02317	3.0
121.06487	3.0
123.04388	9.4
123.08034	6.2
125.05984	2.8
125.09615	17.3
135.08009	2.7
137.09639	11.4
141.12794	2.3
142.02663	2.0
149.05965	3.7
149.09601	2.5
161.04472	8.2
163.11147	12.7
165.12759	2.1
167.10742	2.1
171.10155	2.5
179.10747	3.3
181.12231	3.8
185.11749	25.8
191.10651	2.3
191.14352	20.5
207.10265	7.2
209.11746	28.7
214.28488	2.2
224.06781	2.0
225.11244	8.7
227.21896	2.4
245.19063	41.9
246.19321	3.1
247.17102	2.2
247.85689	2.1
263.20007	2.9
271.17014	6.7
273.60895	2.0
289.18085	100.0
290.18381	10.8
303.95547	1.9
304.89539	1.9
306.53885	1.8
307.10419	10.2
307.19113	48.9
308.19495	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39497	0.5
59.01251	6.4
69.03316	0.9
71.01252	2.1
71.04894	6.4
71.44293	0.6
73.02809	0.8
80.02551	0.8
81.03313	1.7
83.04895	2.2
85.02821	1.0
89.02319	1.0
95.04897	1.8
96.95845	0.7
97.02840	0.7
97.06413	0.7
98.03611	1.9
101.02358	0.7
106.04107	1.4
107.04916	0.8
109.02834	0.8
109.06477	14.8
110.06824	0.7
111.04407	7.4
111.08060	2.4
119.04937	0.7
121.06497	0.8
123.08043	1.4
127.07535	4.1
135.08031	1.1
137.06023	0.6
137.09592	0.7
143.10666	2.0
145.06509	2.5
149.05966	0.8
149.09631	1.5
151.11258	0.8
153.09132	0.7
158.28276	0.5
159.98238	0.5
161.04507	1.2
163.11198	0.5
167.10710	2.4
177.09113	0.6
177.12781	1.2
179.10718	1.4
181.12296	0.9
191.14377	1.0
195.13840	4.0
217.15968	0.8
235.13347	3.1
243.17691	0.6
243.62990	0.5
245.19067	6.0
249.14835	1.1
251.16338	1.1
263.02368	0.6
271.16943	1.1
287.16528	1.8
289.18088	100.0
290.18463	9.1
307.10352	2.7
307.15854	0.8
307.19107	10.9
308.19354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34907	1.2
55.01742	4.6
57.03316	7.3
59.01254	7.5
64.57661	1.1
65.03831	69.3
69.03310	2.4
70.09200	2.5
70.09579	2.6
71.01246	3.0
71.04892	39.8
81.03342	1.3
83.01244	1.1
83.04874	4.8
84.32883	1.1
85.02827	1.7
89.95715	1.3
93.03315	7.2
97.06465	66.6
98.06765	2.2
104.67466	1.1
109.06467	2.8
115.92496	1.3
117.06977	4.0
119.03340	1.3
119.04868	1.5
119.08552	18.0
120.08939	1.2
121.06479	100.0
122.06765	2.6
123.08054	4.4
125.09607	47.9
126.09942	1.9
133.06451	1.9
135.08064	21.5
136.08429	1.6
137.09619	6.6
141.12746	2.2
161.04494	1.6
163.11136	1.9
169.08612	1.2
171.10165	17.4
185.11752	75.9
186.12059	2.8
191.14296	1.4
209.11769	34.7
210.12196	1.4
211.13324	33.8
212.13655	1.7
217.12274	1.5
230.58369	1.2
233.15460	1.8
235.13350	90.8
236.13651	4.3
245.18947	2.1
249.14891	9.5
251.16454	1.5
267.66153	1.3
270.80096	1.3
271.17065	1.5
279.19485	1.8
289.18063	34.0
290.18506	2.3
307.10269	4.0
307.15729	1.9
307.19110	26.1
308.19333	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.5
56.00023	1.3
57.03322	3.9
59.01246	15.0
61.98700	4.5
65.03834	52.1
65.08247	1.4
69.03329	3.5
71.01259	5.2
71.04890	34.1
72.50391	1.4
73.02807	2.1
75.16303	1.5
81.03357	1.7
83.04894	4.2
85.02816	3.7
89.02317	1.9
93.85695	1.5
95.04842	1.6
97.06464	63.6
98.06816	1.7
101.02333	2.6
103.03892	1.5
109.06466	1.8
119.08557	10.9
121.06482	92.9
122.06805	3.1
123.08018	4.3
125.02351	1.6
125.09615	38.4
137.09630	4.2
141.12714	2.6
161.02321	1.8
161.04468	4.3
185.11749	100.0
186.12033	3.3
187.29962	1.4
189.01820	9.0
190.02643	2.1
191.14330	2.0
207.13710	1.4
209.11763	32.3
209.13744	1.6
210.12059	2.7
211.13342	30.4
212.13765	2.4
217.12286	2.1
235.13356	93.5
236.13695	6.1
249.14883	2.5
271.16791	1.7
275.09384	7.5
289.18073	16.1
307.10190	8.9
307.15582	2.9
307.19070	27.4
308.19678	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	15.5
59.01243	27.0
59.87571	2.9
69.03325	4.7
69.66204	2.8
71.01247	15.2
71.32549	3.0
73.02854	3.0
76.87704	2.9
79.50202	2.8
83.04876	7.7
85.02826	4.1
89.02328	4.5
95.04886	5.4
96.95885	3.7
97.02794	2.8
97.06468	20.2
101.02331	5.6
109.06468	7.5
111.04515	2.7
111.08030	13.0
113.02173	2.3
121.06488	5.1
123.04417	6.6
125.09609	11.9
135.08040	3.7
137.09641	4.3
149.09616	8.4
151.11185	30.5
153.09157	6.2
153.12766	3.3
155.10695	15.4
161.04463	4.4
161.09573	4.7
163.11183	8.3
165.03044	2.8
165.12764	31.9
167.10704	9.1
169.12209	3.6
171.10153	8.3
177.12744	6.6
179.10741	13.8
181.12247	35.6
185.11725	7.1
191.10770	13.7
191.14349	9.5
205.12267	4.0
209.11781	65.1
210.12109	3.6
211.13350	10.5
237.05574	4.3
245.19086	42.0
246.19543	3.0
247.32655	3.0
249.05568	3.3
261.18668	6.0
263.20151	12.7
271.17090	4.7
279.19693	5.3
289.18124	59.0
290.18533	5.2
307.10541	13.5
307.19122	100.0
307.22623	5.5
308.19397	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03312	10.0
59.01245	21.1
69.03313	2.3
71.01267	13.6
71.52129	3.0
71.52460	2.3
73.02850	3.6
73.72633	2.0
83.04895	4.1
85.02814	3.0
89.02311	2.3
93.11436	2.2
95.04865	3.3
96.14540	2.4
96.19837	2.4
97.02842	3.6
97.06467	14.5
101.02319	4.1
107.27431	2.0
109.06460	4.4
111.08042	6.9
113.02274	2.1
121.02802	2.1
123.04436	3.7
125.09649	4.7
135.08040	3.5
137.09637	4.1
149.09583	4.2
151.11218	17.1
155.10629	11.1
161.04495	7.9
163.11124	4.2
165.12778	16.6
167.10745	3.1
169.12306	2.5
177.12689	2.7
179.10704	7.8
181.12228	21.4
191.10667	4.6
191.14348	7.9
197.11694	4.5
205.12204	3.8
209.11765	36.0
210.12149	3.5
211.13278	7.4
224.10631	2.4
239.09145	3.9
245.19089	32.2
261.18436	2.9
263.20166	10.1
271.17062	4.4
279.19574	3.1
286.25992	2.5
289.18094	40.2
290.18362	2.6
297.34995	2.3
307.10309	8.8
307.19116	100.0
308.19461	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	307.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84355	0.4
57.03334	0.6
59.01250	100.0
59.30619	0.4
60.01595	1.2
69.03338	0.6
70.62215	0.8
71.01258	2.1
71.04910	0.7
81.03338	0.5
83.01277	0.5
85.02844	1.0
89.02337	0.9
90.15425	0.4
97.06466	1.3
97.43549	0.4
101.02319	0.8
102.74860	0.4
135.04399	2.1
161.04489	0.8
163.06004	0.5
179.03357	0.9
189.12947	0.7
191.14392	0.8
215.14442	2.2
217.12349	0.5
219.13911	0.6
223.93178	0.5
243.73073	0.5
245.15440	26.8
246.15819	3.0
247.13243	0.5
261.14972	2.3
263.16489	2.7
265.14493	1.4
289.14453	48.9
290.14816	4.2
307.15503	96.8
308.15829	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	307.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.9
59.01249	100.0
60.01600	0.7
60.66889	0.5
61.03632	0.5
71.01255	1.9
71.04890	15.2
73.02829	1.1
83.01263	0.6
83.04896	0.9
85.02825	1.6
89.02333	0.7
101.02350	1.3
107.08570	2.4
107.75842	0.5
109.06494	0.9
114.01857	1.3
119.08568	2.2
119.13042	0.5
135.04410	0.5
135.08046	1.6
149.09596	1.2
159.08119	0.6
161.04498	1.3
161.09622	6.4
163.11159	0.6
191.10933	0.5
191.14384	1.9
193.12267	1.2
195.89798	0.6
203.14342	1.5
216.78223	0.5
219.13800	0.7
219.15982	0.6
221.15356	1.8
245.15335	1.0
247.13432	0.8
263.16531	4.2
265.14438	12.5
266.14920	0.8
289.18130	1.1
307.10104	1.7
307.15506	37.6
307.18628	1.4
308.15692	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	307.155
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
50.36511	0.4
52.07372	0.3
59.01251	83.0
60.01590	0.5
61.19682	0.4
71.01258	1.1
71.33028	0.7
75.10829	0.4
81.03340	1.3
85.02828	0.5
95.94413	0.4
101.02349	0.5
132.89740	0.4
149.02353	0.5
161.04483	0.9
163.00267	1.5
177.01854	1.1
191.14355	0.8
191.31683	0.4
201.12926	0.5
203.14412	1.0
234.26639	0.4
245.15474	0.6
247.13435	1.0
248.06828	1.7
261.14972	5.8
265.14337	0.6
289.18069	0.5
292.05762	0.5
307.15500	100.0
308.15891	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.155
Annotation	Cinnamadin
Peak:m/z	Relative Intensity
51.55541	0.8
51.97058	0.7
57.03322	6.1
59.01249	87.6
71.01246	3.2
71.04890	7.7
71.53402	1.1
73.02827	1.1
73.88770	0.6
83.04891	0.8
85.02826	1.4
87.00761	0.9
89.02290	1.3
90.59761	0.9
90.63439	0.7
95.04883	1.4
97.02834	1.3
101.02286	0.9
109.02836	3.5
116.03642	0.7
123.08054	3.2
127.26859	0.8
135.08051	1.3
137.09569	0.8
137.38397	0.8
139.81201	0.7
146.08232	0.7
148.01564	6.6
149.02325	0.8
149.09633	2.1
157.16907	0.8
158.23021	0.7
161.02359	1.4
161.04475	2.0
163.03899	5.4
163.11156	2.7
172.16812	0.7
175.11189	3.3
176.00970	0.8
177.01799	1.2
187.00317	3.4
187.03969	3.6
191.12724	1.4
191.14351	18.3
193.15884	2.6
201.12794	1.2
202.02698	2.3
203.14363	0.9
213.05466	1.0
215.03499	4.0
215.07143	1.3
215.14410	1.0
217.08722	1.7
219.13820	1.8
221.15407	100.0
222.15746	7.9
230.05777	2.3
231.06537	1.8
233.15390	5.0
234.15829	0.8
235.13431	0.9
245.08141	3.0
245.15463	1.4
254.59683	0.8
256.03821	0.9
263.09189	5.2
263.11813	0.7
263.16513	18.1
264.16937	2.0
265.14438	1.7
284.03375	1.4
307.02271	1.2
307.07886	10.3
307.15494	48.8
308.15833	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10106	1.1
55.01756	1.8
58.00462	2.4
59.00950	2.6
59.01252	51.6
65.85451	1.1
69.03339	2.9
69.62968	7.2
71.01252	31.8
72.99176	3.4
73.00565	1.2
73.02807	1.8
83.01247	3.0
85.02822	8.1
87.00757	2.5
89.02309	24.1
95.01275	2.5
96.95869	1.6
97.02820	1.8
99.00751	2.8
99.08034	32.0
100.08405	1.6
101.02312	16.9
109.02953	1.5
113.02308	9.5
119.03381	9.1
123.29066	1.2
127.07555	6.4
129.09100	2.2
132.55222	1.1
141.09114	2.0
144.93192	1.1
145.08603	87.5
146.08931	2.1
161.04520	1.6
163.80334	1.3
179.05563	1.8
187.09593	2.2
209.55455	1.2
291.17032	1.3
307.13965	100.0
308.14319	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28702	0.2
59.01250	0.7
69.67174	1.2
71.01260	0.3
74.98941	5.5
75.96114	0.3
87.50118	0.3
89.02326	0.3
90.80164	0.3
91.02085	2.5
93.00001	2.7
98.19850	0.3
99.34647	0.2
120.07349	0.3
127.93991	0.2
143.05196	0.3
149.00859	2.4
151.05196	0.3
159.08369	6.7
161.04420	0.4
161.06349	1.6
172.54185	0.2
192.98061	0.7
206.99680	0.9
209.01205	2.6
217.07109	1.0
223.02774	50.4
224.02855	3.8
225.00702	0.3
241.03806	1.0
275.05774	0.5
289.07590	1.8
290.07959	0.3
291.09082	100.0
292.09180	11.0
303.90256	0.3
307.12378	2.6
308.12289	0.3
309.10120	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29266	0.3
59.01251	1.5
59.96597	0.5
64.12235	0.4
68.45734	0.4
71.01242	1.6
71.44975	0.7
74.98940	5.1
80.35435	0.3
89.02290	0.4
91.02084	3.5
93.00002	3.4
101.02334	0.5
103.03868	0.4
139.17709	0.4
149.00854	2.9
158.50766	0.4
159.08371	7.4
161.04442	0.9
161.06247	2.1
192.98010	0.6
195.17380	0.4
206.99680	1.7
209.01158	3.1
217.07204	0.8
223.02779	47.9
224.02806	4.1
241.03755	1.0
250.48528	0.4
258.00232	0.4
285.76318	0.4
289.07562	2.2
291.09082	100.0
292.09177	10.5
307.12753	2.3
307.19293	0.5
308.12460	0.4
309.09961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.97934	0.6
55.01750	0.8
56.71719	0.6
57.03307	1.0
58.00456	2.8
59.01250	43.8
63.73066	0.6
66.13597	0.7
66.26226	0.6
71.01252	26.1
71.53020	0.7
72.99178	2.9
73.02824	1.7
77.30666	0.6
83.01256	2.8
85.02837	5.8
87.00733	2.4
89.02316	21.3
95.00086	0.6
95.01254	1.9
96.95905	0.9
99.00743	1.1
99.08032	24.4
100.08374	1.2
101.02327	15.3
103.03938	0.8
104.77325	0.6
109.02766	0.7
113.02322	8.2
113.09622	0.8
114.02637	0.8
117.03359	1.5
119.03384	8.6
125.02325	0.9
127.07552	4.7
129.09122	2.6
135.04413	1.4
141.09077	2.4
143.10629	0.8
145.08607	65.3
146.08913	2.2
153.01845	0.8
161.04507	2.2
165.95551	0.7
175.03944	0.8
179.05534	1.1
187.09668	1.9
189.01814	1.5
213.83719	0.7
233.00865	2.0
237.47777	0.6
294.29361	0.7
301.89456	0.6
307.13965	100.0
308.14362	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
56.55304	1.4
67.14353	1.8
69.39160	9.7
98.19837	3.3
127.05504	1.5
178.16644	2.0
180.10939	1.9
255.23439	1.9
305.24838	100.0
306.25092	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Mikamicranolide
Peak:m/z	Relative Intensity
54.24900	0.5
57.03322	0.4
58.00479	0.5
59.01256	3.0
69.06596	0.5
69.42461	3.9
70.33982	0.6
71.00441	0.5
71.01250	1.7
73.02822	0.6
78.70020	0.5
81.03336	0.8
85.02814	5.5
89.02326	1.2
93.20975	0.5
96.95898	0.6
101.02328	1.5
109.02816	0.6
113.02310	0.5
115.49419	0.5
134.03622	1.2
137.02318	0.6
149.02341	1.8
151.03920	0.6
161.02350	15.4
161.04480	1.4
162.03130	100.0
163.03499	4.7
173.94193	0.6
177.05484	45.1
178.05826	2.4
187.03925	6.3
188.01257	0.5
189.01826	0.7
189.05533	0.9
190.02701	0.5
200.02229	0.5
202.39154	0.5
213.05530	1.9
215.03403	1.1
219.06712	0.7
230.05791	1.1
231.06474	0.8
245.08130	5.9
248.06830	2.5
263.09219	25.7
264.09509	2.1
282.85742	0.5
307.08203	82.7
308.08554	6.1
326.83426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03299	3.2
59.01241	6.8
65.03821	2.3
69.03301	1.3
69.80372	4.2
71.01226	1.8
71.04895	6.5
71.81281	0.9
79.05399	12.0
83.04896	2.2
93.03355	1.5
95.04877	1.8
97.06461	14.5
98.20534	1.6
101.02255	0.9
102.70543	0.9
106.04144	8.8
107.04906	4.6
108.01998	1.6
109.06472	2.1
115.09300	0.9
117.07004	1.7
119.04863	1.6
120.05666	7.0
121.06492	5.3
123.08022	6.8
125.02338	1.3
125.06031	1.2
125.09608	19.5
133.06436	1.8
135.08052	100.0
136.08372	4.0
137.09572	3.1
149.01230	0.9
151.11189	2.7
162.06778	1.3
163.11154	1.6
166.60175	0.9
166.61644	1.0
169.08684	1.3
175.04056	1.5
183.10181	1.5
185.11717	3.3
189.12697	1.7
201.12762	1.1
205.15915	6.8
207.10181	2.0
209.11797	1.4
211.13168	1.4
221.11774	1.8
231.13861	2.7
233.11743	1.9
235.13266	1.1
243.17245	1.0
249.14923	48.6
250.15315	2.7
255.27228	1.0
263.16571	1.9
284.39194	1.1
287.16638	6.7
305.08072	1.7
305.14136	3.0
305.17542	67.1
306.17877	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	305.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99670	0.2
59.01245	1.2
71.01264	0.6
79.95602	1.0
86.32905	0.2
96.95885	100.0
99.05511	0.3
101.02309	0.4
108.28875	0.2
120.10548	0.2
125.02317	0.4
128.03412	0.7
132.26028	0.2
137.02277	0.3
143.04501	1.1
160.00636	0.3
197.07375	0.3
200.24080	0.2
225.11255	0.7
256.10938	0.2
261.07898	0.4
272.08826	0.6
305.07126	3.9
305.10599	61.2
306.07498	0.9
306.10828	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	305.1394
Annotation	Phomadecalin B
Peak:m/z	Relative Intensity
59.01248	100.0
59.61276	0.9
60.01602	1.2
64.19196	0.9
70.73590	2.3
71.01238	1.2
71.04897	2.0
75.96884	1.0
78.24647	1.0
91.89728	1.1
96.95877	1.4
125.02308	3.2
137.02374	1.7
139.03928	1.3
158.00574	1.0
162.06761	1.1
201.12752	11.8
245.11870	1.1
261.03342	2.4
261.14929	77.6
262.15314	4.6
305.13956	96.4
305.17407	4.7
306.10953	1.5
306.14169	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	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29533	0.5
54.23911	0.5
57.03324	9.6
65.03849	0.9
67.01749	0.8
68.95527	0.7
69.03319	2.3
69.64936	0.9
69.65340	2.4
80.02534	0.7
81.03345	3.8
83.01257	4.6
93.03333	3.0
95.01228	2.9
95.04899	4.0
97.02827	5.8
98.19790	1.1
99.04398	0.7
105.03326	0.6
107.04917	1.4
108.02100	0.8
109.02838	19.4
111.04426	4.2
119.04884	0.9
121.02853	4.6
123.00770	8.5
123.04411	1.5
124.01565	5.6
125.02335	100.0
126.02657	3.2
127.26070	0.6
133.02864	1.1
133.06479	0.8
135.04427	2.9
135.20204	0.5
137.02345	30.4
138.03046	2.2
139.03909	21.6
140.04303	0.7
147.04465	0.9
149.02321	1.3
149.06010	2.5
151.03928	2.6
157.06502	0.7
159.04427	2.1
160.05176	0.5
161.02310	2.8
162.03113	1.1
164.01067	7.8
165.01839	20.4
166.02505	1.7
167.03413	20.3
173.06023	1.9
175.03954	2.7
175.07524	0.8
175.09076	0.5
176.04718	1.1
177.01866	1.9
177.05470	5.2
178.02530	0.7
179.03419	16.5
180.03831	0.6
181.04990	1.0
189.05475	1.0
191.07065	2.3
199.27104	0.5
201.05544	1.5
203.03421	3.8
204.04204	3.3
215.07054	0.6
218.05823	1.1
219.06598	13.4
220.07040	1.0
221.04503	6.0
233.08138	0.6
237.07565	1.1
243.06636	0.9
261.07660	5.7
305.06665	38.8
306.07199	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	5.4
59.01246	3.5
61.96288	2.7
69.03321	5.7
71.01230	3.6
71.19923	3.7
73.87746	2.7
73.98958	2.4
81.03330	4.4
83.01254	8.8
85.02816	4.3
95.01267	5.0
95.04912	4.7
97.02827	10.7
99.00756	15.7
99.04417	2.8
101.75356	2.4
108.02054	2.9
109.02834	36.8
109.46108	2.2
111.00768	21.8
111.04346	2.9
113.02421	2.6
121.02830	8.2
123.00776	11.8
123.01579	2.1
123.04408	13.9
124.01570	4.7
125.02335	53.0
133.02872	4.1
135.04387	7.7
137.02336	34.7
138.02975	3.1
139.00266	24.9
139.03891	13.9
140.01065	4.6
141.01825	9.3
149.02342	7.3
151.03880	8.2
153.01834	5.3
159.04408	5.2
161.02347	29.8
162.03108	10.1
163.03917	3.6
164.01062	5.4
165.01888	12.3
167.03374	13.7
175.03920	6.0
177.05476	7.7
179.03409	7.8
181.04955	2.7
195.02835	5.0
203.03439	3.4
205.05104	4.5
215.06906	2.6
217.04967	3.6
219.06563	9.6
243.06531	7.2
261.07626	4.9
287.05609	13.7
305.06641	100.0
306.06970	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	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.8
68.17435	0.7
69.03340	1.7
69.64990	1.5
69.65400	2.1
75.12477	0.7
81.03323	4.1
83.01266	4.0
93.03336	2.3
95.01257	2.6
95.04891	4.2
97.02853	3.7
98.19869	1.0
101.99352	0.8
109.02150	0.6
109.02832	15.6
109.99832	0.7
110.03195	0.7
111.04401	4.8
118.87260	0.9
121.02835	3.1
123.00794	6.0
123.04373	1.1
124.01543	4.9
125.02332	100.0
126.02670	2.3
135.04414	2.4
137.02339	27.9
138.03090	2.2
139.03906	23.1
140.04265	0.8
149.02332	2.2
149.05959	2.5
151.03894	2.6
159.04384	2.0
161.02321	2.9
162.03133	1.1
164.01051	8.3
165.01839	18.8
166.02504	2.5
167.03412	22.5
168.03680	1.0
173.05997	2.0
175.03926	3.2
176.04750	1.0
177.01819	2.0
177.05486	5.1
178.02654	1.6
179.03404	17.3
190.19786	0.7
191.07014	2.3
201.05417	1.8
203.03395	3.0
204.04199	2.8
219.06572	15.3
220.06833	1.4
221.04524	6.7
237.07559	0.9
243.06653	1.1
261.07785	4.5
287.05627	1.0
305.06644	34.0
306.06982	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	303.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63271	0.2
70.54685	0.6
73.29451	0.2
74.36170	0.2
75.66185	0.2
79.95599	0.8
83.55194	0.2
85.59792	0.2
96.95887	100.0
97.95815	0.3
98.19913	0.2
121.36845	0.2
125.02322	0.2
137.02353	0.3
142.01329	0.2
154.72029	0.2
192.94147	0.2
205.44193	0.2
208.55170	0.2
293.07883	0.2
302.13242	0.2
303.09061	33.8
304.09338	2.0
310.41739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32639	0.3
56.65197	0.4
58.02849	54.9
59.03218	0.4
61.04718	0.4
70.02861	0.5
70.32851	0.4
72.06102	0.3
100.47024	0.3
149.57231	0.3
150.33928	0.4
151.11183	0.4
168.13855	100.0
168.42810	0.3
169.14214	5.4
185.73100	0.3
187.61089	0.3
212.12845	4.6
304.18994	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	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03323	8.3
58.12629	0.7
59.01245	2.0
68.17106	0.7
69.03327	1.8
69.58290	3.3
69.58694	1.4
78.52039	0.7
81.03339	3.4
83.01264	4.1
83.04948	0.7
89.02296	0.9
93.02680	0.7
93.03326	2.4
95.01273	2.6
95.04903	3.4
97.02827	4.4
102.60885	0.8
107.04891	1.1
109.02843	18.2
111.01896	1.2
111.04385	3.3
118.75474	0.8
120.07779	0.7
121.02835	3.2
123.00755	6.7
123.04366	1.7
124.01563	5.8
125.02335	100.0
126.02668	2.3
131.04883	0.8
135.04411	2.0
137.02338	30.4
138.03033	1.1
139.03906	22.0
147.04451	1.3
149.02338	1.1
149.06003	2.2
151.03886	2.8
154.81676	0.7
159.04382	2.2
161.02338	3.7
161.05919	0.9
162.03114	0.8
164.01044	6.5
165.01837	23.1
166.02515	1.2
167.03407	20.6
173.05965	1.0
175.03954	2.7
176.04649	1.1
177.01817	2.2
177.05550	3.6
178.02643	1.0
179.03401	21.9
191.03479	1.2
191.07002	2.5
201.05490	1.6
203.03479	4.2
204.04208	4.0
215.07123	1.2
216.56929	0.8
219.06569	16.5
220.06972	1.0
221.04524	10.3
228.94623	0.8
233.08345	1.0
235.24135	0.8
237.07716	1.0
238.26669	0.8
241.79767	0.7
243.06665	1.2
243.32002	0.8
247.02274	0.7
261.07654	6.9
287.05569	1.2
305.06650	67.7
306.07028	5.1
312.11462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.22178	2.0
55.01749	2.4
57.03308	3.8
59.01263	3.1
67.01756	2.4
68.99674	4.1
69.03310	2.7
70.45080	6.3
71.01245	3.8
78.77685	2.1
81.03329	8.1
83.01247	6.5
85.02802	3.5
93.03334	5.5
95.01251	4.3
95.04894	2.4
96.95924	11.2
97.02832	6.9
98.20423	3.1
99.00751	16.5
109.02832	26.2
111.00769	17.1
114.51910	2.3
119.04942	2.7
121.02806	7.2
123.00745	9.6
123.04413	6.0
124.01515	2.4
125.02335	100.0
126.02655	2.3
127.00224	4.2
133.02835	4.5
135.04396	4.9
137.02348	55.1
137.08008	2.4
138.03101	10.3
139.00272	34.2
139.03828	3.2
140.00986	3.1
141.00787	4.5
141.01831	73.6
145.02888	2.5
145.06487	3.0
147.04419	6.3
149.02328	15.5
150.03079	2.5
151.00249	2.8
151.03864	4.9
151.18710	3.0
152.00975	4.3
153.00648	4.8
153.01842	71.4
153.20518	2.6
154.02124	2.8
155.04897	2.2
159.04388	3.4
161.01065	3.8
161.02339	41.5
161.05957	5.6
162.03062	7.0
163.03865	6.7
164.01013	7.6
165.01836	19.0
166.02647	11.4
167.03398	12.1
171.04431	4.8
173.02361	3.0
173.06006	3.9
174.03125	5.5
175.03923	38.7
177.01894	18.4
177.05501	2.8
179.03290	2.9
180.00607	5.5
181.01328	6.9
183.51651	2.1
187.03949	6.1
188.04823	4.2
189.05479	9.9
191.03320	3.4
193.04875	2.7
199.03880	5.0
201.01830	8.4
201.05475	2.8
203.03334	7.2
205.04968	5.2
213.05452	8.2
215.03360	5.0
215.06924	2.5
216.04292	3.5
217.03136	3.1
217.05022	32.4
223.04031	2.3
229.05070	3.4
230.05611	2.3
231.02852	7.3
231.06537	5.6
233.04578	3.9
235.06020	8.0
241.04985	7.8
243.02856	3.8
244.07246	2.7
253.05457	2.2
257.04517	9.4
259.06161	12.3
261.03964	4.5
275.05560	3.7
285.04028	27.9
303.05118	70.4
303.08624	6.3
304.05563	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	303.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.0
59.01249	3.5
67.01752	4.1
68.99705	4.0
69.03345	2.5
71.01251	3.4
71.51071	3.9
77.00708	2.1
81.03334	8.4
83.01265	5.0
85.02849	6.4
93.03347	4.3
94.43683	2.1
95.01270	5.2
97.02841	10.0
99.00750	18.5
108.02036	3.1
109.02826	31.1
111.00771	17.9
121.02850	8.1
123.00771	10.7
123.04404	7.2
125.02335	100.0
126.02641	4.3
127.00255	6.4
133.02864	5.3
135.04422	5.4
137.02338	46.7
138.03105	9.6
139.00267	27.2
139.03854	2.5
140.01022	4.9
141.01826	68.4
143.69923	2.1
146.03581	2.8
147.04439	8.0
149.02335	16.2
151.03922	4.9
152.01024	5.7
153.01831	65.8
159.04430	7.4
161.02354	28.4
161.05959	3.7
163.03912	5.1
164.01079	4.5
165.01831	16.9
166.02582	8.2
167.03398	7.8
171.04405	6.1
173.02351	4.5
173.06000	4.2
174.03123	7.2
175.03917	33.2
176.01065	2.4
177.01834	14.7
177.05502	3.0
178.99814	2.3
180.00519	6.4
181.01329	6.0
185.05945	2.5
187.03951	4.6
188.04553	3.5
189.05511	9.9
191.03467	2.3
193.05150	2.9
194.02083	3.3
197.06029	3.6
199.03957	7.1
201.01898	10.6
201.05531	2.8
203.03423	7.9
205.04968	6.7
207.06296	2.6
211.03801	2.4
213.05510	8.4
215.03310	3.0
216.04262	3.2
217.05034	23.1
229.05019	5.0
231.02946	5.2
231.06712	3.3
235.06062	8.2
241.05034	11.0
244.07207	2.6
257.04510	9.0
259.06021	13.7
275.05499	5.0
285.03967	21.4
286.04416	2.6
303.05081	57.3
303.08548	4.4
304.05655	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97380	0.8
66.61823	0.5
70.91491	1.3
72.01237	0.5
75.85635	0.5
104.96235	0.6
118.96118	0.9
123.62125	0.6
124.90549	0.6
134.99286	6.1
136.97226	2.7
143.05180	0.8
148.01175	0.6
152.25534	0.5
157.11281	0.5
158.82050	0.5
159.08337	1.3
161.06291	7.2
203.05620	3.2
205.03412	0.8
215.05608	0.9
215.65977	0.5
217.07155	88.0
218.07272	6.7
261.06161	0.9
285.13467	34.7
286.13690	4.0
301.16592	100.0
302.16760	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	303.0513
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03321	7.5
59.01232	1.9
63.02233	1.4
65.00197	4.7
67.01744	2.5
67.30207	1.0
69.03319	1.1
69.23642	9.1
81.03322	3.2
83.01258	7.5
90.41383	1.0
93.03351	1.3
95.01257	4.5
96.34803	1.0
97.02859	1.4
99.00732	6.8
107.01270	3.7
107.04893	2.2
109.02850	8.5
110.28327	1.1
111.00769	5.7
121.02834	1.9
123.00783	9.5
123.04381	1.7
123.69307	1.2
124.01569	1.1
125.02335	44.9
126.02655	1.5
133.02847	6.2
134.03595	1.5
135.04413	100.0
136.04750	4.7
136.98695	2.0
137.02351	27.0
138.02856	1.1
139.00293	10.7
141.01826	4.8
143.04961	1.4
145.02858	1.3
149.02356	3.0
150.03210	1.2
151.00296	10.5
151.03905	13.7
153.01830	9.4
159.04346	1.4
161.02333	2.3
163.47993	1.0
165.01843	8.1
166.99756	38.5
168.00102	1.6
171.04446	1.2
174.03079	1.3
175.03886	3.0
177.01859	23.4
178.02168	1.9
181.01347	9.0
189.05473	1.2
191.03343	1.7
199.03891	2.5
201.05519	1.4
213.05403	1.8
215.03421	1.8
217.04956	3.5
229.05022	2.5
241.05054	1.6
257.04486	3.5
259.06201	2.0
275.05618	2.1
285.04031	12.2
286.04285	1.0
303.05060	32.7
303.08588	1.9
304.05267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
59.01239	0.7
61.98674	0.4
65.00196	4.2
67.86631	0.3
67.99252	0.4
68.01547	0.3
69.81447	0.3
71.01224	0.4
71.52956	0.4
77.03828	1.7
79.01763	12.2
95.01289	0.7
97.02821	2.8
107.04930	1.1
109.02861	2.1
121.02843	16.4
122.03180	0.6
123.00768	1.6
134.03629	2.1
135.04414	100.0
135.99110	0.3
136.04747	4.6
137.02335	0.5
138.03123	0.9
139.03929	3.8
141.41678	0.4
149.02356	0.4
151.00233	0.8
161.02356	1.4
165.01843	73.9
166.02187	3.1
176.95068	0.4
179.03426	0.8
183.02882	2.2
191.03467	0.5
200.32196	0.4
211.07596	0.5
217.07109	0.4
227.10710	1.1
228.07838	1.3
229.08574	0.6
283.06122	0.5
301.00354	0.6
301.03510	1.7
301.07141	14.5
301.10782	0.8
301.13971	0.6
301.16977	0.8
301.20151	0.5
302.07513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28305	0.3
55.01752	0.3
63.84750	0.2
65.00193	4.8
69.27604	0.8
69.28017	1.4
71.04870	0.6
74.78152	0.3
77.03848	2.1
79.01766	13.8
80.02097	0.6
83.01217	0.3
93.03355	0.4
93.35787	0.3
94.00153	0.3
95.01267	0.5
97.02835	2.7
97.26904	0.3
98.20551	0.6
107.01245	0.8
107.04912	0.7
108.02012	0.3
109.02849	2.0
121.02842	15.4
122.03156	0.4
123.00758	0.4
133.02834	0.8
134.03676	2.4
135.04416	100.0
136.01561	0.3
136.04761	4.8
137.02347	0.8
138.03166	0.6
139.03926	3.4
151.00299	1.3
161.02379	0.8
164.01077	0.4
165.01845	72.4
166.02170	3.8
179.03310	0.6
183.02937	1.8
191.03377	0.3
199.03970	0.3
199.23114	0.3
213.69685	0.3
217.82761	0.3
228.07912	0.4
229.08636	0.3
283.06088	0.7
286.04608	0.4
301.07089	15.8
302.07565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
55.01762	0.6
59.01257	0.7
63.02263	0.6
64.01826	0.3
65.00194	5.3
69.43470	0.6
69.43883	2.0
71.04907	0.5
77.03833	2.4
79.01766	12.0
83.01284	0.5
93.03325	0.4
97.02826	2.8
98.14037	0.3
103.44686	0.3
107.01257	2.1
107.04868	0.4
109.02818	2.2
117.03263	0.4
121.02837	16.0
122.03145	0.7
123.00755	1.8
124.01526	0.3
128.96553	0.3
129.81412	0.3
133.02888	0.5
134.03648	6.4
135.04413	100.0
136.04765	4.0
137.02330	0.8
138.03116	0.8
139.03877	3.1
147.04413	0.3
149.02382	0.8
149.05997	2.8
151.00264	5.0
161.02342	1.2
165.01842	75.7
166.02159	3.1
169.01344	3.7
178.99809	0.6
179.03328	0.6
183.02940	2.8
195.79216	0.4
211.33910	0.3
283.06155	0.6
286.04248	0.3
286.08414	0.3
301.03482	5.7
301.07126	17.3
301.10825	1.1
301.16928	0.7
301.20251	1.5
302.04016	0.7
302.07455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
51.34459	0.7
57.03086	0.9
57.03322	11.5
65.00192	10.5
71.23362	1.4
74.04030	0.7
81.03320	6.6
82.04111	0.7
83.01257	30.7
90.26207	0.7
97.02842	1.4
107.01266	17.5
121.02828	1.1
123.00735	1.2
124.01546	4.6
125.02329	77.6
126.02650	2.5
131.01253	1.8
139.03894	3.8
149.02292	1.1
151.00269	83.4
152.00597	4.5
168.00549	5.0
169.01326	25.1
169.02786	1.1
170.01651	1.1
175.00266	4.9
193.01343	2.4
283.04572	1.0
301.05627	100.0
302.06070	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
56.83271	0.6
57.03327	4.3
65.00198	3.1
65.04807	0.6
69.85339	3.1
81.03324	2.4
83.01256	11.9
97.02786	0.9
107.01276	6.5
107.37376	0.7
123.00777	1.5
124.01558	3.2
125.02333	54.6
126.02664	1.9
137.02345	1.1
139.03885	2.8
149.02248	1.3
149.99503	2.7
151.00269	58.2
152.00591	1.8
167.03355	0.8
168.00546	14.9
169.01331	24.7
175.00278	3.7
193.01340	2.5
205.01363	1.3
211.02368	0.8
218.30644	0.6
259.25803	0.7
283.04608	2.4
283.07425	0.7
292.43430	0.6
301.05643	100.0
302.05963	8.0
319.01758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
54.29024	0.4
59.01227	0.5
63.02269	4.1
63.46119	0.5
63.77839	0.5
65.00195	9.5
68.99696	0.8
69.03301	0.7
79.01760	2.1
79.95628	0.5
83.01261	5.3
85.02824	0.6
93.03334	2.5
95.01264	4.9
105.03333	0.7
107.01259	9.7
108.02104	0.7
109.02837	4.0
109.99965	1.0
111.00776	1.7
117.03298	0.8
119.04884	0.7
121.02859	5.2
123.00770	9.2
123.04394	0.6
124.01490	0.6
125.02323	3.9
128.14456	0.5
130.04190	0.6
133.02840	8.8
134.03609	1.0
135.04410	24.6
136.01508	0.5
136.04771	0.7
136.98686	2.3
137.02304	1.5
138.03093	0.9
139.00238	1.9
139.03906	1.1
143.04919	1.4
145.02838	2.2
147.00780	1.1
147.04373	1.0
148.01503	0.8
149.02356	11.1
151.00270	19.8
151.03909	1.5
152.00655	1.9
155.04900	1.1
157.06541	0.8
159.04410	3.9
161.02359	1.8
161.05969	1.0
162.33632	0.6
163.00273	1.0
163.03923	0.7
164.01039	0.5
164.98203	2.6
165.01794	0.9
167.04886	0.8
169.01349	1.7
170.03586	0.9
171.04399	1.6
173.05983	1.4
174.03014	0.8
175.00272	1.4
175.03896	0.8
176.00980	0.6
177.01843	11.0
178.99797	4.9
179.03394	1.1
183.04463	2.6
185.02379	0.8
185.06003	1.6
186.03091	0.7
187.03926	3.7
188.04607	0.6
189.01877	0.9
189.05461	1.9
190.99788	0.8
191.03488	1.1
192.00604	3.0
193.01352	1.2
199.04010	1.2
200.04710	0.7
201.05457	2.9
203.03476	1.8
211.04019	3.3
212.04695	0.6
213.05473	1.5
214.02692	0.7
215.03401	3.2
216.79356	0.5
217.05014	0.9
217.07091	0.7
227.03438	2.9
229.05090	4.2
229.14949	0.5
233.04460	0.7
239.03468	1.5
245.04474	1.1
255.03000	9.4
256.03641	1.1
257.04492	8.2
258.04858	0.6
268.07413	0.7
272.03305	0.6
273.04138	2.9
283.02493	8.1
284.03122	1.4
301.03513	100.0
301.16656	2.0
302.03867	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	299.1651
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
59.01252	2.7
71.19425	0.6
71.19790	0.6
87.70560	0.4
112.30871	0.4
115.58394	0.4
117.03342	2.8
119.04912	0.7
121.02829	1.0
125.79981	0.4
132.05701	21.6
133.06500	7.7
137.05962	0.5
137.79510	0.5
138.05405	0.9
142.35924	0.4
145.02844	12.2
145.06483	2.4
151.60353	0.4
163.03966	0.4
164.04697	22.9
165.05022	0.8
171.08063	2.0
173.09608	0.5
176.04732	1.2
185.09618	1.6
208.03687	2.9
217.00237	1.5
227.97287	0.4
231.17609	2.2
255.17511	40.2
256.17862	3.8
284.03250	1.3
299.05386	2.3
299.16479	100.0
299.25833	1.5
300.16846	7.7
317.05679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.71708	0.8
59.01239	2.2
71.53442	1.1
71.53835	1.0
72.45653	0.8
74.90072	0.8
76.45325	0.8
77.31715	0.9
80.85791	0.9
99.92419	1.4
117.03325	4.4
119.04926	1.4
121.02855	2.2
137.05928	0.8
138.05499	2.1
145.02855	22.7
162.03157	1.1
176.98195	0.8
202.08452	0.9
206.31650	0.9
253.25328	3.3
281.24832	2.1
284.03271	3.2
299.05573	3.4
299.16574	30.9
299.25897	100.0
300.16754	4.4
300.26285	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
63.02264	6.9
63.56842	0.6
65.00195	13.6
71.39653	0.8
74.57058	0.7
83.01260	9.7
93.03336	4.0
100.35307	0.6
104.01160	0.6
107.01267	23.7
108.01564	0.9
109.02843	3.3
110.18746	0.7
119.01280	0.9
121.02843	19.0
125.02368	1.6
131.04958	0.6
133.02805	1.1
136.70105	0.6
137.02327	0.7
137.60455	0.6
139.03891	1.8
147.00710	0.7
149.02361	3.6
151.00273	64.9
152.00687	1.2
159.04362	1.0
161.02306	1.2
163.00308	1.4
164.01059	1.4
165.01825	1.9
169.01349	2.8
178.99783	21.6
180.00021	0.7
187.03874	1.3
193.01352	1.9
201.05519	1.4
211.03984	1.3
215.03357	0.7
227.03452	1.7
229.04999	2.3
243.02922	0.6
245.04445	1.8
255.02974	3.0
257.04514	1.7
273.04037	3.4
283.02469	2.1
301.03510	100.0
302.03833	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.29441	0.8
59.01238	0.9
69.59911	2.2
69.60296	1.7
71.01259	1.2
78.66013	1.0
78.95784	2.1
81.03309	1.2
85.02829	1.1
93.03336	31.8
93.03925	1.7
101.02306	1.0
108.02048	100.0
109.02891	14.2
110.03206	0.8
117.03353	1.6
121.02863	1.7
123.04414	4.0
133.02852	0.8
137.02341	41.2
138.02678	1.8
145.02835	8.5
149.81808	0.9
151.03920	1.2
152.01053	57.8
153.01845	18.3
154.02202	0.9
163.69955	0.8
220.06145	1.7
242.48416	0.8
299.07690	49.9
299.16534	10.3
300.01743	0.9
300.08093	2.8
300.16867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01754	1.7
59.01255	6.2
70.09445	2.2
70.09780	0.8
71.01239	0.9
79.01762	26.0
83.70668	0.7
86.39262	0.8
88.46480	0.8
91.05409	6.3
93.03327	9.6
99.92455	1.1
106.72232	0.8
107.04887	1.4
108.02058	0.8
109.02837	1.0
111.04399	9.1
113.02323	0.7
117.03350	2.9
119.04913	70.0
120.05264	2.2
121.02833	1.5
121.06564	0.7
123.04394	3.1
133.02823	1.2
135.04411	29.5
138.05478	2.2
143.04953	0.8
145.02858	13.3
146.03255	0.8
147.04355	0.9
151.03902	5.2
153.05493	1.2
161.06049	1.0
164.04680	0.8
165.04202	0.8
165.05490	2.7
174.99199	0.8
179.03412	48.8
180.03723	2.1
187.03911	0.9
193.04991	7.2
197.04395	4.3
199.04108	0.8
205.04971	6.8
217.00285	3.8
223.87895	0.7
225.11156	1.3
227.03458	1.6
229.08406	0.8
229.14310	1.3
242.92329	0.8
257.17490	0.8
271.02454	3.0
281.03915	0.7
281.17532	1.0
284.03281	5.7
285.03381	1.0
299.01971	5.8
299.05655	10.8
299.09201	100.0
299.16348	16.4
299.22272	1.6
299.25897	1.9
300.02411	0.8
300.06213	1.1
300.09518	7.9
300.16574	1.5
320.33841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97334	0.2
55.01749	0.3
65.00191	0.5
77.03829	1.2
79.01756	4.1
79.95600	0.3
87.96180	0.2
90.24033	0.2
97.02798	1.0
107.01293	0.2
109.02858	0.2
119.04946	0.6
121.02849	4.1
123.66668	0.2
132.02057	0.5
133.02844	28.8
134.03177	1.2
135.04398	1.7
143.04869	0.2
145.02867	0.4
147.04411	0.3
148.01604	0.4
157.06496	0.2
162.03151	0.2
163.03911	3.0
165.01842	7.4
166.02046	0.2
166.59187	0.2
169.51270	0.2
170.49380	0.2
171.04346	0.2
173.02351	0.2
175.03920	3.1
183.04430	0.3
185.06030	0.6
191.03471	0.3
196.05336	0.2
198.03180	0.9
199.03961	1.7
199.07573	0.4
201.01878	1.1
201.03458	0.2
211.03928	0.5
211.07494	0.4
212.04697	0.6
213.05516	2.5
215.03412	0.3
220.64041	0.2
226.02684	0.2
227.07097	0.7
229.05042	0.8
231.06590	0.9
237.05521	0.4
240.04205	0.9
242.02162	0.3
242.31186	0.2
243.02910	0.4
243.06564	0.4
253.04933	0.3
255.06566	1.1
256.03793	0.4
257.04462	0.5
271.02432	0.3
271.06091	0.6
281.04581	0.4
284.03281	1.5
299.05600	100.0
300.05957	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39753	0.7
57.03323	0.7
57.79602	0.6
59.01239	2.4
60.57806	0.6
65.00197	1.9
68.99668	1.6
71.47426	0.6
71.53683	0.9
75.39246	0.6
80.02326	0.7
90.52982	0.6
93.03297	0.8
97.02841	0.9
99.34600	0.6
107.01281	1.2
108.02012	1.6
109.02806	0.8
117.03332	2.0
119.04915	0.8
121.02840	1.1
131.04900	0.7
132.23003	0.7
133.02856	2.5
134.03577	1.9
135.00766	1.8
135.04408	1.0
136.40311	0.7
137.02310	1.5
139.03932	0.8
143.04913	1.1
145.02849	8.5
147.04391	0.8
149.02292	1.1
149.09589	0.8
151.00233	2.4
153.01820	1.3
155.04924	0.8
160.01608	1.1
161.02333	2.4
161.90565	0.6
163.03928	0.7
171.04416	1.8
173.02339	1.3
174.03134	1.6
175.03928	8.7
183.04472	1.7
184.05203	1.0
185.06059	1.5
189.05443	1.9
199.03960	9.5
200.04701	6.1
201.01839	4.2
211.03973	3.9
212.04684	2.6
213.05510	10.8
214.05867	0.9
215.03325	0.9
227.03452	20.2
227.06969	1.4
228.04085	2.7
231.06529	1.5
239.03488	4.0
240.04179	2.4
243.03001	1.1
252.74596	0.6
255.02950	6.7
255.06642	5.8
255.15956	0.7
256.03735	12.8
256.06488	1.0
257.04401	1.5
269.04630	0.9
271.02499	4.8
281.04526	2.4
284.03265	59.6
285.03540	3.5
299.05573	100.0
299.16660	8.4
299.22238	3.1
299.25586	1.0
300.02560	1.3
300.05884	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
56.78207	0.3
59.01244	0.3
60.41475	0.3
61.30039	0.3
63.02266	1.5
65.00214	0.9
69.78751	1.4
78.31735	0.3
83.01270	0.9
96.51665	0.3
104.02614	0.3
107.01280	2.8
118.95551	0.3
121.02892	0.5
124.01587	0.3
125.02310	0.4
126.46886	0.3
132.02087	1.1
133.02818	2.1
134.03618	0.8
135.04410	0.4
143.10782	0.3
145.02837	0.9
148.01517	0.4
149.02408	0.6
151.00290	3.9
183.04468	0.8
187.03877	0.4
188.04704	0.6
197.54669	0.3
199.03928	1.3
200.04611	0.4
211.03952	0.8
212.04686	0.4
227.03470	2.8
228.04115	0.4
234.35999	0.3
239.03545	0.5
243.02991	0.4
248.68677	0.3
255.02980	1.6
256.03735	29.5
257.04211	1.7
271.02493	1.7
271.05887	0.4
283.02505	0.8
284.03241	100.0
285.03589	6.4
299.05582	70.5
299.16537	1.3
300.02750	0.4
300.05893	5.2
311.13953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91098	0.2
55.01751	0.4
59.01244	0.4
63.72049	0.2
65.00192	1.1
69.55943	1.3
73.66341	0.2
75.53539	0.2
77.03840	1.6
79.01761	7.8
79.95643	0.2
93.03359	0.6
97.02839	1.7
105.03347	0.4
107.04931	0.6
108.02086	0.3
109.02832	2.4
112.69507	0.3
117.03341	0.6
119.04893	0.8
121.02844	6.3
123.04436	0.5
132.02043	0.3
133.02846	13.9
134.03226	0.6
135.00743	0.8
135.04414	11.1
136.04742	0.3
137.02336	0.7
139.03889	0.6
143.04953	0.3
145.02844	2.4
147.04398	0.8
149.02292	1.0
157.06487	0.3
158.03510	0.3
159.04430	0.3
161.02330	0.7
163.00247	0.6
163.03923	1.5
165.01839	7.6
166.02101	0.4
168.05637	0.3
171.08047	0.4
174.03062	0.4
175.03889	1.8
177.01837	0.4
179.03133	0.2
181.06561	0.5
183.04413	0.3
183.08086	0.3
184.05257	0.3
185.06004	0.7
187.03886	0.5
187.07642	0.3
189.01859	0.3
190.02531	0.3
191.03397	0.7
196.05254	0.3
197.06000	0.3
198.03265	0.4
199.03934	1.0
199.07605	1.9
201.01807	0.6
201.05492	0.4
203.07129	0.6
209.06027	1.1
211.03937	0.7
211.07542	0.5
212.04713	1.1
213.05510	1.6
214.02753	0.3
215.03450	0.4
217.00258	0.2
225.05504	1.2
226.06210	0.4
227.03429	1.0
227.07074	1.1
228.04140	0.3
229.05031	0.4
231.06610	0.6
233.31894	0.3
237.05490	0.5
239.03421	0.3
240.04190	0.5
241.05016	0.8
243.06572	2.2
250.88086	0.2
253.05074	0.7
254.05472	0.5
255.02998	0.4
255.06628	1.8
256.03687	0.6
257.04401	0.3
271.02524	0.4
271.06134	1.7
281.04611	0.8
282.05389	0.3
284.03210	2.3
297.04095	0.7
298.04797	0.5
299.05597	100.0
299.16476	1.7
300.05957	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	299.0561
Annotation	Koparin
Peak:m/z	Relative Intensity
54.36391	0.2
59.01248	0.3
59.28334	0.2
63.02266	0.3
65.00197	1.1
68.99689	1.2
69.57094	1.0
79.95585	0.3
83.01258	0.3
90.67768	0.3
91.01773	0.5
94.00478	0.5
95.01250	0.3
107.01271	1.2
108.02042	1.1
109.99976	0.9
121.99928	0.3
132.02068	0.3
133.02856	1.2
134.03632	1.3
135.00775	1.9
136.01541	0.8
136.98720	0.6
145.02838	0.9
148.01566	0.5
149.02342	0.4
149.99487	0.5
151.00278	1.5
153.01833	0.6
155.04898	0.3
158.03587	0.7
171.04427	0.7
172.05179	1.0
174.03180	0.3
175.03941	0.4
176.01051	0.3
183.04420	1.1
184.05162	0.5
185.02304	0.2
186.03076	0.5
187.03886	0.4
188.04706	0.5
198.03235	0.4
199.03937	5.2
200.04721	7.5
201.01915	0.3
201.05084	0.5
210.03162	0.4
211.03935	4.2
212.04707	3.4
214.02725	0.6
216.04173	0.3
227.03445	22.2
228.04143	4.4
229.04507	0.3
232.03746	0.8
239.00996	0.3
239.03450	6.0
240.04126	1.1
255.02945	9.3
256.03726	13.6
257.04147	0.9
267.02969	0.4
271.02460	0.8
283.02441	1.2
284.03244	100.0
285.03568	6.8
288.02786	0.6
299.05585	97.5
300.02469	0.4
300.05905	7.2
300.11292	0.3
308.29071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
65.00191	0.9
71.02405	0.7
77.03837	1.4
77.17532	0.3
79.01766	4.9
93.03337	0.5
97.02834	1.2
105.03345	0.6
107.01246	0.5
107.04916	0.8
109.02839	2.4
111.46358	0.3
119.04913	0.9
121.02837	4.8
132.02078	0.6
133.02849	22.9
134.03168	0.7
134.34142	0.3
135.00774	1.0
135.04402	9.5
137.02312	0.7
139.03865	0.9
145.02849	0.7
147.04437	0.6
148.01642	0.3
149.02356	0.9
157.06618	0.4
161.02289	0.5
163.00284	0.5
163.03897	1.7
165.01846	6.6
174.03156	0.3
175.03918	2.3
177.01874	0.4
181.62442	0.3
183.04443	0.7
184.05234	0.4
185.06133	0.4
187.03825	0.4
187.07579	0.3
190.02548	0.5
191.03362	0.8
197.06030	0.4
198.03119	0.6
199.03969	1.5
199.07587	1.0
200.04710	0.4
201.01884	1.0
203.07027	0.3
209.06007	0.7
211.03920	1.1
212.04678	1.1
213.05450	1.9
225.05550	1.1
226.06230	0.5
227.03450	0.4
227.07047	0.8
229.05000	0.6
231.06621	1.0
237.05618	0.6
240.04251	1.1
241.04929	0.7
243.02611	0.5
243.06596	1.9
253.04970	0.9
255.06613	1.3
256.03677	1.1
257.04373	0.7
271.02332	0.4
271.06116	1.7
281.04459	0.7
282.05273	0.4
284.03165	2.2
298.04779	0.4
299.05600	100.0
300.05927	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03324	1.7
58.82816	1.3
59.01247	2.4
63.74549	1.4
67.21529	1.2
69.47869	6.2
69.48282	2.7
77.44533	1.2
81.08636	1.2
82.73693	1.4
87.42581	1.4
101.02248	1.5
107.02606	1.3
117.68980	1.2
118.39386	1.2
125.09602	1.7
171.10178	51.7
172.10530	2.0
183.10173	3.7
195.13904	3.0
251.23553	1.5
277.21729	58.5
278.22009	3.4
295.22769	100.0
296.23221	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01247	8.1
65.91418	0.4
68.81001	0.4
71.01244	4.0
73.02827	0.7
81.03316	0.4
85.02804	1.1
87.00742	0.4
89.02305	4.7
96.69801	0.4
98.00003	0.4
101.02332	3.2
113.02318	1.4
119.03409	2.0
126.47465	0.4
127.11132	0.6
135.04388	0.8
135.06479	1.9
139.11179	0.5
141.12726	1.2
155.10672	12.6
156.11009	0.7
161.04465	0.9
171.10190	1.4
178.65550	0.4
179.05461	1.2
183.01108	2.9
191.70262	0.5
209.37105	0.3
220.09538	0.4
237.99036	0.4
250.45563	0.4
279.23276	13.6
280.23578	0.8
295.22562	0.7
297.11758	3.2
297.15244	6.8
297.24323	100.0
298.15540	0.8
298.24652	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	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01250	3.6
59.33400	0.5
59.40432	0.4
63.02261	4.2
65.00196	2.6
69.81672	2.6
71.01246	0.8
72.34929	0.5
79.01763	0.9
83.01246	1.3
89.00213	0.8
91.01752	0.9
107.01260	4.4
109.02813	4.8
115.05402	0.9
117.03370	2.2
118.83713	0.6
119.04910	1.4
121.02817	1.9
125.09552	0.6
126.88897	0.5
131.04910	0.7
133.02843	12.9
135.00766	0.8
135.04436	1.3
138.05525	0.6
143.04967	2.9
145.02849	9.2
147.00848	0.8
147.04395	1.2
149.02290	1.1
151.00249	3.0
155.04915	1.3
157.02811	2.6
163.03946	1.5
165.01848	0.6
169.01428	0.7
169.02852	0.6
171.04414	8.1
173.02333	2.2
174.99226	0.7
175.03926	4.2
183.04391	0.7
185.02362	1.0
187.03883	4.2
189.05487	1.0
197.02376	2.1
198.03166	3.1
199.03925	17.3
200.04382	1.3
201.01883	4.7
203.03391	0.8
213.01770	0.9
214.02533	1.0
215.03433	6.0
217.00224	1.8
226.02737	3.7
227.03435	8.1
229.01308	0.7
242.02133	2.0
243.02954	8.3
244.03169	0.6
255.03001	1.3
256.03781	0.9
261.24133	0.6
271.02457	80.0
272.02811	5.9
282.01782	0.9
284.03247	9.4
285.03900	2.2
299.01947	100.0
299.05548	25.7
299.16345	12.6
299.25613	1.3
300.02301	6.9
300.05887	1.6
300.16693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
51.82165	1.4
59.01247	11.3
68.38637	1.4
69.18947	1.3
70.81644	2.0
71.01245	4.3
85.02827	1.7
98.19855	1.4
101.02346	3.4
111.08067	2.9
113.02360	2.1
113.09598	4.1
133.04910	2.6
157.08600	88.6
158.08968	2.5
161.04358	1.8
232.17149	1.4
277.21695	71.0
278.21988	6.9
295.10315	2.0
295.22760	100.0
296.23108	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01246	19.4
69.39724	5.4
69.40135	1.7
70.66179	1.0
71.01244	5.8
73.02827	2.8
82.10566	1.1
83.01275	1.1
83.04915	1.3
85.02811	2.8
85.69372	1.1
89.02325	1.6
96.83031	1.1
100.87186	1.2
101.02321	4.3
102.41174	1.0
113.02307	2.1
133.04945	4.7
154.70535	1.0
161.04408	1.5
171.10187	2.7
195.13832	29.0
209.15460	6.2
225.14941	5.6
253.09317	1.1
267.06393	1.0
277.21716	43.6
278.22031	3.9
295.10300	4.9
295.22766	100.0
296.23126	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50435	0.8
57.03316	1.1
59.01232	2.1
59.60506	1.0
67.54460	0.8
69.39549	2.9
69.39954	2.1
71.01231	1.6
81.74196	0.8
83.52082	0.8
89.00963	0.9
109.06456	2.2
113.09594	2.5
127.07609	1.0
167.10640	0.9
171.10124	1.2
179.14323	1.4
183.12169	1.4
183.13815	28.5
195.13837	10.0
196.14403	1.0
205.12289	1.3
211.13373	6.4
223.13309	8.4
256.13144	1.8
265.21704	2.5
275.20166	11.3
293.21216	100.0
294.21585	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76157	0.2
52.54376	0.2
52.89069	0.2
57.03323	2.8
57.57333	0.2
59.01251	35.9
60.01582	0.3
61.98707	0.3
69.03320	0.5
69.98486	0.7
71.01267	1.5
81.03339	0.3
85.02819	0.3
89.02332	0.8
93.03298	0.3
93.49289	0.2
95.04871	0.3
96.95870	0.2
97.06455	1.2
101.02368	0.3
107.08534	0.2
109.06467	0.3
113.02370	0.2
113.09607	8.9
115.53591	0.2
117.03362	0.9
121.10122	0.3
123.08070	0.6
124.50376	0.2
125.09593	2.5
127.07559	0.4
135.11707	0.3
139.11201	0.8
141.09039	0.2
141.12724	0.9
149.09608	1.2
156.13844	0.4
157.14151	0.4
161.04477	0.7
165.82448	0.2
167.10733	1.0
173.02342	0.3
175.00281	0.2
177.12862	0.3
179.10701	0.9
183.13846	0.5
185.11734	5.8
195.13835	1.5
195.58826	0.2
197.02075	0.2
197.11804	1.7
205.12331	0.2
205.15950	0.8
209.15343	0.2
220.14661	1.1
221.15373	2.5
221.19034	0.3
223.13428	0.3
231.17984	0.2
236.10429	1.5
249.18535	1.9
249.22144	1.2
275.20242	1.0
293.04736	2.5
293.08801	2.2
293.17694	35.4
293.21304	100.0
294.17996	3.5
294.21619	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	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
56.80925	1.0
59.01250	9.8
71.01252	22.2
71.52740	1.5
72.99170	4.9
73.02831	1.3
79.94319	1.3
85.02814	1.6
87.00711	1.5
89.02315	4.9
91.50115	1.2
101.02322	2.7
112.71278	1.2
113.02338	2.2
115.00259	49.9
116.00568	1.4
123.21039	1.1
133.01323	100.0
133.04927	3.5
134.01689	1.7
135.04422	17.7
179.03395	11.8
184.41821	1.1
195.27287	1.1
240.48393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75383	0.4
57.03315	1.1
67.97563	0.6
68.45593	0.5
69.23881	4.0
81.53301	0.6
87.10472	0.5
97.06453	1.5
98.19790	1.2
102.11762	0.5
123.08061	0.9
125.09604	4.6
141.12758	1.6
142.27040	0.5
149.09625	2.2
162.90239	0.5
163.47192	0.5
183.13660	0.6
185.11729	8.8
194.03415	0.5
195.13828	0.5
197.11790	2.9
205.59648	0.5
249.22217	0.9
275.20175	1.3
291.20456	0.5
293.21210	100.0
294.21545	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01231	1.6
71.01253	1.1
85.02779	0.4
86.00144	0.5
89.02298	1.2
96.95879	1.4
97.06451	1.0
113.09597	0.4
123.08069	0.6
125.09603	4.4
126.46238	0.5
141.12727	1.3
149.09604	1.9
151.11168	0.8
161.04341	0.5
185.11749	8.2
193.15968	0.5
197.11816	2.6
221.15369	1.5
236.10532	0.7
240.58614	0.5
249.18439	0.6
249.22249	0.9
275.20193	0.9
293.08810	1.7
293.21204	100.0
294.18118	0.9
294.21454	8.1
305.77774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
52.62075	1.1
57.85282	1.0
59.01243	12.0
59.31200	0.9
61.98720	1.5
71.01254	5.2
71.08244	1.5
72.02691	1.2
73.02807	1.3
78.95770	1.4
81.49126	1.2
85.02827	1.7
89.02277	2.7
95.04882	2.6
96.95911	1.1
108.01936	1.2
111.08031	2.2
111.59477	1.2
113.02292	1.4
113.09579	2.4
127.11094	1.2
131.03372	1.6
135.11694	32.2
136.08826	3.1
136.12111	1.5
157.08606	74.0
158.08940	2.9
161.04445	3.0
177.16319	1.1
192.11360	1.2
193.15855	4.6
193.19818	1.1
205.47934	1.2
209.15392	1.9
220.14551	1.9
221.15408	5.6
231.21130	5.3
236.10493	4.0
249.18544	29.6
250.18875	3.0
251.16501	1.4
275.20142	78.0
276.20456	7.8
293.08786	4.8
293.17673	8.2
293.21191	100.0
294.21509	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.12687	0.8
59.01247	2.1
63.36272	0.6
70.39875	2.2
72.17973	0.8
85.21613	0.7
91.48883	0.6
93.01800	0.8
94.42487	0.6
95.04897	0.7
100.57271	0.7
103.43946	0.6
113.09591	1.3
127.65838	0.8
167.10751	1.0
179.14394	1.7
195.13828	15.9
196.14543	2.2
205.12270	1.2
205.15947	0.7
211.13390	0.7
215.69362	0.7
223.13358	14.1
228.13683	1.8
231.21107	0.9
239.12955	0.7
255.22131	0.6
256.13303	4.1
256.15686	0.7
265.21747	1.0
275.20166	8.5
276.20563	1.4
284.19040	0.7
293.21222	100.0
294.21564	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23729	1.3
57.03314	1.5
59.01241	4.9
59.54702	1.4
63.85189	1.4
69.22849	14.5
71.01241	1.8
71.04895	3.6
74.59377	1.5
80.69086	1.7
83.04900	1.7
98.19761	2.9
153.11404	1.5
171.10210	3.9
221.15439	2.3
223.16942	4.7
235.16978	41.8
236.17339	4.1
275.20135	42.1
276.20361	2.9
293.08807	1.8
293.21207	100.0
294.21445	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83831	0.7
57.03326	5.6
57.59024	0.8
59.01240	2.5
69.28201	3.2
69.28639	3.1
70.90694	0.8
80.54117	0.8
83.06810	0.7
83.23154	0.7
88.34129	0.8
92.60677	0.7
95.23781	0.8
109.06445	0.7
112.21853	0.8
113.09610	19.6
113.34834	0.7
114.04707	0.9
121.10124	5.0
127.36667	0.8
139.11168	2.1
149.09587	1.5
165.13702	0.9
167.10692	2.9
171.10178	13.7
177.12788	1.6
179.10793	0.9
183.10280	0.8
185.11682	1.0
195.13795	2.5
231.21094	1.5
249.22330	1.7
275.20120	17.4
276.20630	1.4
293.21216	100.0
294.21524	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38793	0.4
57.03312	1.1
59.01249	4.5
61.98704	0.7
69.03306	1.2
69.40529	1.9
69.40943	1.2
71.01273	2.5
73.02807	0.6
78.95750	1.1
83.01218	0.5
83.04878	0.5
88.36372	0.4
89.02319	1.0
96.95882	0.6
98.20524	1.0
101.02275	0.6
113.02305	0.8
123.08055	0.9
127.07571	0.7
136.08934	0.5
139.11121	1.1
141.09114	0.6
151.11201	3.3
153.12698	0.6
167.14180	0.4
169.12268	2.4
177.12813	0.6
192.11531	0.5
193.15926	1.5
197.11757	39.5
198.12093	1.7
211.96404	0.5
213.14938	0.7
218.45630	0.5
220.14558	0.7
221.15340	2.2
231.21112	1.3
236.10472	1.5
275.20132	19.7
276.20502	1.9
293.08679	1.6
293.21201	100.0
294.21490	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13376	0.9
56.16097	1.2
59.01250	37.5
71.01256	3.5
76.70766	1.0
83.78731	1.0
89.02301	1.2
95.15927	1.1
99.08022	1.8
106.10060	1.0
114.06095	1.0
124.57672	1.0
127.74165	1.1
161.04414	1.2
172.95967	1.1
191.14368	1.4
193.15897	1.9
209.15405	100.0
210.15674	7.5
221.15477	1.9
231.21085	3.0
236.10251	1.0
251.16417	2.1
275.20139	52.4
276.20483	4.0
293.08612	3.4
293.17688	2.5
293.21188	57.1
294.21597	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	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
58.56866	1.1
59.01227	1.6
71.01335	1.6
71.01680	2.0
74.32856	1.0
121.10110	35.9
122.10423	1.6
127.07585	1.8
137.78011	1.2
171.10176	58.0
172.10464	3.3
183.10204	2.7
183.13823	18.5
185.11844	1.2
211.13298	4.0
231.21097	3.7
235.16992	2.4
275.20145	77.9
276.20471	7.9
293.21210	100.0
294.21573	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	293.1759
Annotation	Embelin
Peak:m/z	Relative Intensity
50.66079	0.3
53.48112	0.3
57.03316	0.3
58.20148	0.3
59.01250	100.0
60.01585	1.2
64.44190	0.3
70.31203	0.3
70.31549	1.0
71.01248	1.6
85.02816	0.5
86.81546	0.3
87.58754	0.3
89.02336	1.3
94.11506	0.3
97.72986	0.3
109.30749	0.3
113.02333	0.4
115.54460	0.3
121.64526	0.2
130.45903	0.3
131.03403	0.4
156.13876	0.5
157.14145	0.6
161.04507	1.1
169.19908	0.3
171.10310	0.5
197.11745	0.5
205.15915	1.8
219.17545	0.7
220.14595	1.5
221.15411	3.3
222.15631	0.4
229.95703	0.3
231.17487	0.3
233.15514	0.5
236.10519	2.4
249.18552	4.4
250.18915	0.3
271.86200	0.3
275.13882	0.3
275.20157	0.9
278.12717	0.3
293.08893	1.9
293.17590	91.5
294.17926	7.2
294.20959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Phytuberin
Peak:m/z	Relative Intensity
57.03322	1.9
59.01251	58.3
60.01570	0.9
67.12446	0.4
70.72866	0.8
71.01264	2.0
73.02814	0.7
85.02840	0.5
89.02323	0.9
97.06470	3.9
113.32313	0.4
117.29746	0.4
123.08080	0.5
142.59615	0.4
161.04462	1.3
189.16341	0.6
191.59358	0.4
205.15900	1.3
207.17488	0.6
219.17487	7.7
220.14598	0.8
220.17842	0.5
221.15407	3.1
231.17462	0.7
233.15417	0.7
236.10558	2.2
249.18581	4.4
250.18883	0.6
251.16501	35.1
252.16821	2.9
275.20346	0.5
293.08771	1.5
293.17590	100.0
294.17911	8.4
294.20956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11830	0.2
59.01247	0.6
59.94502	0.2
64.10213	0.3
69.42982	1.4
71.01244	9.0
71.43764	0.2
73.02810	0.3
84.54225	0.2
107.97187	0.2
124.01498	0.3
127.07528	0.7
131.43326	0.2
137.02312	0.6
138.03145	0.5
148.05183	1.2
149.02409	0.3
151.07544	0.7
161.04433	0.4
164.08325	1.6
165.09081	0.3
166.02632	0.5
177.09125	5.3
179.03363	0.4
189.88216	0.2
190.09949	0.4
191.03442	1.2
192.07880	0.4
192.11470	7.3
193.12079	0.5
205.12277	7.7
206.12656	0.3
207.10199	5.3
207.13754	1.6
208.10555	0.3
217.08679	0.6
218.09402	2.0
220.14626	50.3
221.15393	100.0
222.15741	5.8
235.13371	1.4
236.10484	71.9
237.10849	5.4
249.11255	1.2
253.14503	0.4
275.12982	0.3
293.08749	0.7
293.13937	1.0
293.17566	7.0
293.20874	0.3
294.17841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
58.02847	0.7
59.01246	5.7
61.04490	0.6
64.95512	0.6
69.03310	0.7
71.01251	3.8
72.99169	0.7
73.02813	0.9
85.02805	1.1
89.02314	2.0
95.16270	0.6
101.02321	1.1
114.72063	0.7
121.10118	0.8
122.10472	0.7
131.03392	0.8
156.13843	100.0
157.14198	4.8
161.04491	2.3
171.10435	0.7
178.83653	0.6
185.11833	0.8
192.11589	0.7
200.12845	7.9
220.14627	3.0
221.15462	6.1
236.10483	3.9
275.20203	1.2
290.44186	0.6
292.16479	1.1
292.19949	12.6
293.08685	4.6
293.17612	6.1
293.21173	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
58.00470	1.9
59.00953	2.2
59.01253	44.3
69.03330	0.8
69.93773	3.8
71.01255	23.8
72.21935	0.9
72.99171	2.3
73.02824	1.2
83.01254	2.2
85.02823	7.2
85.05987	1.7
85.06462	17.6
87.00757	1.2
89.02319	22.4
90.02678	1.1
94.48639	1.0
95.01270	1.2
99.00787	0.9
101.02328	15.7
113.02325	8.1
113.05978	4.7
113.84931	0.9
115.07486	1.7
118.84922	1.1
119.03398	10.0
127.07517	1.9
131.03406	1.6
131.07034	65.3
132.07433	2.0
144.64638	0.9
161.04486	1.8
173.08046	1.7
197.45872	0.8
293.12415	100.0
294.12708	6.2
301.54785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17028	0.5
54.94968	0.5
55.78539	0.5
57.03313	1.6
69.34875	4.1
75.45201	0.5
92.62185	0.6
93.06946	1.5
97.06457	1.7
121.09281	1.0
121.10114	15.8
121.10991	0.8
122.10452	0.7
123.08038	1.6
123.89861	0.6
125.09615	8.1
141.12729	1.0
147.08049	0.9
171.10170	1.0
173.66916	0.6
185.11768	16.8
186.12129	0.8
197.11732	3.6
211.13304	2.1
223.13335	1.1
247.20726	1.0
273.18622	1.9
291.19653	100.0
292.19955	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
54.18428	0.3
59.01250	1.2
71.01196	1.0
73.02818	60.2
74.03134	0.4
75.09052	0.4
78.06296	0.4
89.38821	0.4
100.28084	0.4
115.16096	0.4
161.85641	0.4
291.19656	100.0
292.20010	11.3
300.28458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02856	1.2
59.01252	14.1
71.01263	3.9
71.52698	0.8
75.11859	0.9
81.03323	1.0
85.02811	1.6
89.02313	3.7
96.95863	0.8
101.02325	1.3
103.58545	0.7
108.04461	0.8
109.12263	0.7
125.09625	1.1
131.03394	1.0
133.00766	0.8
146.12715	0.7
156.13840	100.0
157.14182	5.1
161.04486	2.2
185.11757	2.2
197.11757	0.7
200.12837	7.9
205.12376	1.0
209.15430	1.1
209.86655	0.8
220.14607	2.9
221.15413	6.8
234.15923	1.0
236.10490	5.7
274.18790	1.2
275.20047	0.8
292.09137	1.3
292.16623	1.2
292.19919	5.8
293.04160	1.0
293.09000	5.1
293.11948	1.4
293.17606	10.9
293.21204	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.41547	0.4
55.01748	1.0
59.01245	4.3
68.02420	0.4
69.03327	0.5
69.57127	0.3
71.01265	0.5
71.04887	36.5
71.52763	0.3
73.61623	0.3
76.67285	0.3
79.09799	0.4
83.04887	0.9
97.06464	11.4
98.52967	0.3
111.08054	0.4
121.10075	0.5
123.08051	0.9
133.06451	0.9
139.11131	0.5
153.42012	0.3
157.12228	0.5
163.14830	0.9
163.73393	0.3
175.14799	0.6
181.12279	2.1
191.17978	0.3
193.12297	0.4
193.15977	0.4
195.13821	1.2
198.58311	0.4
205.12193	0.5
207.13811	3.0
217.15919	0.8
219.13858	4.8
233.15381	0.5
235.16995	4.7
247.16832	0.4
247.20598	2.4
273.18582	2.2
291.19641	100.0
291.44409	0.4
292.19962	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	291.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52464	0.6
59.01249	28.7
71.08635	1.3
72.99174	10.3
80.22002	0.6
91.90259	0.6
94.33424	0.7
106.04195	0.7
119.04990	0.7
125.35806	0.6
132.05702	51.4
133.06064	1.9
134.03629	2.1
147.04398	3.8
148.05179	2.5
162.03082	0.8
164.04697	51.8
165.05034	2.7
175.11197	1.1
180.04132	2.0
187.11206	100.0
188.08371	0.9
188.11559	6.7
203.10699	17.1
204.11130	1.1
231.10213	56.6
232.10501	3.4
249.11287	86.7
250.11604	6.1
291.08771	1.5
291.12570	1.3
291.16010	2.8
291.19473	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	291.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84416	0.2
53.30238	0.2
59.01249	86.4
60.01588	0.7
69.20821	2.3
71.04879	2.0
87.04373	0.3
96.08853	0.2
97.06462	1.0
98.20782	0.2
187.14813	5.0
188.15198	0.4
199.14825	1.2
203.14380	0.9
212.17055	0.3
217.15921	3.6
219.13651	0.3
231.13797	1.4
247.16998	6.0
248.17188	0.4
291.16025	100.0
291.19382	6.6
292.16357	7.9
292.19714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.23398	0.3
59.01232	1.3
71.52297	0.5
76.61205	0.3
95.04907	0.4
119.04929	0.6
121.02825	0.4
125.05978	0.6
148.08868	1.0
150.10374	1.1
151.11151	0.5
163.11198	1.2
165.12775	21.8
166.13054	1.4
175.11145	0.6
176.11931	0.7
177.12721	0.6
179.14299	0.6
191.14365	0.7
205.61029	0.4
210.53055	0.3
217.15865	0.7
225.85909	0.3
229.19579	0.6
247.20686	9.8
248.20908	1.0
273.18628	5.8
274.19055	0.5
291.19650	100.0
292.16843	0.8
292.19992	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	291.0512
Annotation	Yerrinquinone
Peak:m/z	Relative Intensity
52.20328	0.7
59.01249	1.9
59.58188	0.6
71.53300	0.8
78.24134	0.6
84.55922	0.6
93.03342	0.9
101.02324	1.3
117.68620	0.6
118.64588	0.8
129.93033	0.6
133.02882	1.1
134.47350	0.7
149.02223	0.6
170.03600	0.9
173.02344	1.6
173.05963	1.3
182.08492	0.8
185.02368	3.7
185.06056	1.0
186.03151	8.6
188.01041	1.6
199.03880	5.6
200.04677	5.7
201.05504	21.2
214.02658	100.0
215.02980	4.2
229.05013	50.9
230.05348	3.5
273.04004	5.6
291.05106	66.0
292.05429	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	291.0874
Annotation	trans-5-Methoxydecursidinol
Peak:m/z	Relative Intensity
60.84320	0.4
70.45548	0.4
71.01711	0.8
114.45033	0.4
117.03361	0.7
121.68459	0.5
131.72778	0.5
133.02776	0.6
148.01537	4.6
149.02332	4.0
151.03909	1.9
161.02348	100.0
162.03105	12.4
178.69537	0.4
188.01048	1.2
189.01875	3.5
189.05486	0.8
199.04155	0.5
213.05504	0.5
214.06140	0.7
215.07036	1.0
217.04916	0.9
232.07362	42.6
233.07736	2.1
247.09726	56.6
248.10069	4.8
262.15350	0.5
271.65488	0.5
291.08743	55.4
292.09100	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
50.63158	1.1
53.19596	1.1
57.03325	6.6
59.01256	2.3
65.36511	1.3
66.40441	1.4
66.53879	1.1
69.03273	1.2
69.38018	4.7
69.38420	4.0
71.01212	1.7
72.99152	1.5
81.03323	7.0
83.01247	5.6
85.02851	1.7
93.03339	4.2
95.01261	1.6
95.04903	10.9
97.02818	15.1
102.23409	1.1
108.02042	2.5
109.02836	61.0
110.03176	1.6
117.10587	1.3
121.02856	6.8
122.03605	2.9
123.04411	39.9
124.04739	1.4
125.02337	33.2
135.04385	3.7
137.02354	17.8
138.03088	1.3
139.03911	7.3
143.04924	1.3
145.02827	3.8
146.03651	2.1
147.04379	2.6
149.02354	8.8
150.03093	3.2
151.03902	16.5
152.82349	1.3
159.04410	8.1
160.05162	2.9
161.02335	3.5
161.05994	8.9
162.03044	1.7
162.06303	1.7
163.03961	2.8
164.01059	5.2
165.01836	6.8
167.03383	3.4
173.05943	3.4
174.03166	2.9
175.03961	2.9
175.07567	4.4
179.03401	10.7
180.03783	1.4
185.05899	3.0
187.03932	10.0
188.04720	7.5
201.05545	2.9
202.06268	4.4
203.03418	1.3
203.07068	24.7
204.07484	1.4
205.05011	15.5
206.05313	2.3
212.04657	1.5
221.08066	9.0
227.07050	4.1
227.11929	1.4
243.02812	1.6
245.08154	35.0
247.06071	2.2
271.02469	3.2
271.06082	2.6
289.03619	3.8
289.07166	100.0
290.07550	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.6
69.03320	1.7
70.81512	2.8
79.95599	13.0
81.03315	5.2
83.01270	4.1
89.21781	1.4
93.03351	2.2
95.04898	6.9
96.95873	2.9
97.02834	13.7
108.02130	2.4
109.02833	50.4
121.02795	4.6
123.04407	25.3
125.02333	26.9
130.62720	1.5
135.04378	3.9
137.02345	16.4
139.03896	7.4
143.04884	1.7
146.03674	3.7
149.02362	8.4
150.03090	3.5
151.03923	20.3
159.04474	3.7
160.05174	2.1
161.02351	9.3
161.06012	9.8
162.03033	3.4
163.03928	2.4
164.01006	4.0
165.01860	8.7
167.03400	2.1
175.03870	3.1
175.07523	4.0
176.04726	10.7
179.03426	29.4
180.03769	1.4
185.06100	1.9
187.03951	7.5
188.04674	5.9
189.74174	1.6
191.06993	4.4
194.05753	30.0
195.06096	1.6
202.06264	4.6
203.07045	26.0
205.04956	15.6
209.06165	2.6
209.08144	42.7
210.08511	2.0
221.08211	8.4
227.07024	3.3
245.08156	36.3
246.08502	2.5
247.06004	2.4
259.02737	3.0
289.03851	11.0
289.07123	100.0
290.07452	7.7
304.42566	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	289.0716
Annotation	CHEBI:70293
Peak:m/z	Relative Intensity
59.01251	0.8
71.32731	1.2
107.04898	1.1
129.06987	1.0
143.04922	1.9
157.06493	2.8
159.04388	1.9
171.04553	0.9
173.05968	1.9
176.01201	1.0
185.05945	1.1
187.03885	3.3
189.01875	4.6
191.65094	0.9
201.05516	4.8
202.06203	1.0
211.03954	1.0
212.04666	4.0
215.03429	23.7
216.03738	1.0
229.05020	12.4
230.05783	100.0
231.06076	4.5
245.08157	2.2
274.04813	48.9
275.05063	2.9
275.16318	0.8
289.07159	36.4
289.14511	1.1
290.07669	2.0
297.15634	0.7
298.01364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.12267	1.0
56.39582	1.2
57.03320	3.4
59.01248	1.8
61.37409	1.1
70.40169	3.8
71.42310	1.2
81.03336	6.6
83.01265	6.1
93.03347	2.3
95.01251	1.3
95.04901	10.3
97.02827	15.0
100.67670	1.1
105.03324	1.2
109.02831	57.7
121.02849	6.5
123.04409	32.2
124.01479	1.4
125.02334	41.1
125.03253	2.0
126.02636	1.2
127.62445	1.1
135.04424	4.7
137.02338	21.3
138.03137	1.5
139.03912	9.4
145.02867	2.3
146.03520	1.6
149.02353	10.6
150.03081	2.0
151.03914	24.6
159.04442	6.3
160.05173	3.0
161.02373	2.3
161.05972	13.4
162.03174	2.4
163.03889	1.6
164.01065	7.5
165.01846	9.6
166.02570	1.3
167.03444	4.2
173.05977	1.7
174.03215	1.3
175.03851	3.8
175.07579	4.8
179.03415	16.5
185.06035	2.4
187.03883	10.9
188.04642	6.9
199.07535	2.2
202.06274	6.7
203.07079	36.1
204.07430	2.2
205.05005	22.7
208.99078	4.5
212.04619	1.6
217.08650	1.9
221.08151	10.4
227.07095	4.8
230.05901	2.0
245.08154	48.7
246.08597	2.4
247.06026	1.9
269.36728	1.1
271.06204	2.5
289.07172	100.0
290.07523	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97409	0.7
57.03314	5.1
69.03314	1.2
69.90892	0.6
70.82166	1.5
80.02560	1.1
81.03326	4.2
81.16115	0.6
83.01266	5.4
93.03333	2.8
95.01283	1.1
95.04908	5.1
97.02837	9.5
105.03357	0.9
106.92218	0.6
108.02046	1.9
109.02836	35.6
110.03170	1.1
111.04376	0.7
113.27603	0.7
121.02837	4.2
122.03607	2.3
123.00758	0.9
123.04403	25.3
125.02331	21.5
126.02678	0.8
135.04384	3.4
137.01395	1.1
137.02348	14.1
138.03177	1.5
139.03879	4.3
145.02835	1.6
146.03604	1.5
149.02357	5.0
150.03105	2.8
151.03903	12.7
157.06560	0.7
159.04402	4.3
160.05197	2.1
161.02332	1.2
161.05963	5.4
162.03067	1.5
163.03941	1.5
164.01068	4.9
165.01875	4.1
166.02344	0.7
167.03380	1.9
173.06041	0.9
174.03233	1.0
175.03923	2.8
175.07533	2.5
179.03433	9.2
182.72929	0.6
185.06070	1.5
187.03960	6.3
188.04700	4.3
199.07578	1.0
201.05563	1.5
202.06244	3.1
203.07060	14.9
205.04993	10.4
212.04604	0.8
221.08150	4.3
227.07014	1.4
230.05743	1.2
231.02864	0.8
245.08153	33.5
246.08551	2.1
247.06024	1.5
279.97412	0.8
289.07178	100.0
290.07465	7.7
297.22440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86576	0.9
52.18738	0.9
59.01251	4.8
61.98695	0.7
69.27114	3.2
69.27538	3.4
93.03307	1.0
98.20570	2.1
125.02318	1.9
138.32788	0.9
146.78024	1.0
227.03387	1.6
228.04227	100.0
229.04518	6.2
243.06447	0.9
272.03247	88.1
273.03506	6.1
286.24017	5.6
287.02451	1.2
287.05634	21.7
287.08759	1.4
287.16330	1.4
287.21719	6.7
288.05917	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99624	11.1
53.78257	9.2
54.54224	8.4
57.03314	15.3
58.25212	8.8
71.53183	11.3
83.01257	21.8
87.27230	9.3
93.03297	13.5
98.08318	8.7
105.13005	8.5
109.02840	43.6
121.02830	41.9
125.02331	93.5
129.44658	10.8
137.02319	81.3
147.04349	11.3
149.02341	28.7
150.03088	15.7
151.03882	29.1
159.04382	33.9
161.02350	34.0
165.01831	38.2
172.05199	16.5
173.05923	22.3
175.03958	53.8
177.01823	10.7
177.05438	11.2
179.51595	10.3
183.04442	13.9
189.05525	17.3
199.03983	9.6
201.05498	42.5
202.05963	10.1
203.03410	30.5
217.05025	21.6
219.06564	30.3
225.05588	20.1
243.06575	32.5
245.04436	10.9
258.05173	9.7
259.06125	80.2
269.04495	17.7
287.05579	100.0
287.14908	19.4
288.05649	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.60380	0.2
58.02834	0.2
59.01253	0.7
65.03821	0.3
71.07684	0.3
73.56539	0.3
81.03329	1.2
82.99345	0.2
92.04928	1.1
93.03332	1.7
107.03637	0.5
108.02082	0.4
108.04437	4.1
109.02837	4.6
117.39964	0.2
121.02854	0.4
123.40118	0.2
124.01534	0.5
134.02376	41.0
135.03204	7.1
136.03946	38.4
137.02315	1.7
137.04280	1.3
148.03920	1.1
149.04755	1.3
159.83858	0.2
168.88799	0.3
176.03459	5.1
176.07042	0.2
177.04204	0.6
181.03636	0.3
190.05077	0.4
204.06584	0.5
230.84541	0.2
245.08139	0.3
287.06824	0.2
288.16049	100.0
289.07162	0.6
289.16367	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	287.0561
Annotation	SCHEMBL476381
Peak:m/z	Relative Intensity
50.11756	1.3
50.79741	1.4
56.24780	1.4
57.03308	4.2
59.01262	1.8
65.00197	7.0
65.19915	1.4
67.01745	3.2
68.99682	4.1
69.03323	1.9
71.01257	2.8
71.53367	2.6
83.01265	6.6
90.32587	1.6
93.03346	6.2
95.01263	12.5
99.00770	11.4
107.01272	5.6
109.02847	5.8
109.99995	2.5
110.96070	1.5
111.00758	4.5
116.89862	1.7
117.03339	3.7
119.04918	56.1
121.02802	8.8
123.00774	17.8
124.01521	2.5
124.47901	1.7
125.02332	19.3
135.04419	37.7
137.02353	9.6
139.00288	5.7
141.01831	3.8
143.04915	4.2
145.02844	6.1
148.07581	11.1
149.02319	2.6
151.00273	25.5
153.01836	18.3
157.06540	2.2
159.04402	3.6
161.02335	2.1
164.01062	2.0
165.01866	9.1
166.99773	23.1
171.04459	3.0
172.05078	1.6
173.06061	3.8
175.03966	5.3
177.01846	2.0
181.01328	3.8
184.05519	1.5
187.03979	3.1
189.05505	24.0
197.06108	1.6
197.08571	1.6
199.03986	2.2
201.05499	5.2
203.03369	1.8
215.07025	2.6
219.06740	1.7
225.05486	3.7
241.05019	5.3
243.06561	4.6
245.04489	8.5
259.06128	10.2
261.46924	1.8
269.04517	14.0
287.05609	100.0
287.16586	1.9
287.22311	9.6
288.05954	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.38483	0.6
57.03318	1.2
59.01234	1.1
71.52641	1.0
93.56480	0.7
107.01250	0.7
112.27578	0.7
122.69843	0.7
125.18128	0.6
133.02849	4.4
151.00275	2.0
201.01932	0.7
221.19135	0.7
223.20618	61.1
224.21011	5.2
241.04939	0.8
241.21680	1.9
267.19626	38.2
268.20023	3.1
285.04010	16.3
285.07208	1.2
285.20691	100.0
285.27029	3.8
286.04401	1.6
286.21027	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.42411	0.3
58.13766	0.3
59.01262	0.6
65.58636	0.4
65.92036	0.3
66.49876	0.4
69.81841	0.8
69.82244	1.2
70.02843	1.1
74.05978	1.4
98.02345	0.4
98.19794	0.6
105.62863	0.3
117.06976	1.0
118.04981	1.1
122.88265	0.4
133.02837	0.4
134.03192	0.6
148.33461	0.3
228.04247	6.2
240.23390	2.4
242.21245	1.3
245.65230	0.4
256.23108	0.4
268.22784	1.3
272.03290	6.5
286.04276	2.0
286.23868	100.0
287.05582	1.5
287.16528	1.1
287.24347	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
70.71487	0.9
70.71816	0.5
71.01262	0.5
71.70464	0.4
73.02810	0.5
74.22166	0.4
81.03333	0.7
85.02829	0.7
94.02150	0.4
98.98396	0.4
108.02045	100.0
109.02862	24.8
110.03161	0.7
121.02836	1.3
122.03609	4.0
123.04397	0.7
125.02301	0.6
133.02859	0.9
135.00772	0.6
137.02328	0.5
151.03891	1.7
151.68678	0.4
152.01050	70.2
153.01837	43.7
154.02153	1.9
163.03918	1.5
165.01849	1.3
171.11964	0.5
179.03389	0.6
205.03352	0.5
237.32530	0.4
242.84218	0.4
284.26764	0.5
285.06143	69.5
286.06531	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	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.07892	0.5
59.01258	0.8
70.85411	0.9
81.03340	0.6
99.94637	0.5
108.02052	100.0
109.02888	12.5
121.02884	0.6
123.04383	0.8
133.02846	0.9
135.00775	0.9
145.02898	0.5
149.31624	0.5
151.03886	1.1
152.01056	67.0
153.01845	29.4
154.02168	1.1
163.03888	0.9
163.30119	0.5
165.01836	0.9
178.68002	0.5
225.74312	0.5
284.26816	3.4
285.06152	53.8
285.20520	0.7
285.27039	1.1
286.06525	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	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42413	0.2
63.02269	1.7
64.09045	0.2
65.00192	3.1
66.49004	0.2
68.99685	0.2
69.38158	0.7
69.38580	0.6
79.01765	0.2
83.01264	1.7
93.03354	0.2
95.01247	0.5
105.03344	0.5
107.01279	4.5
107.04891	0.2
108.02072	0.2
109.02814	0.5
115.05401	0.2
119.04926	0.3
121.02840	1.0
125.02321	0.5
131.04890	0.3
132.02071	0.3
133.02849	14.8
134.03174	0.4
135.00830	0.2
135.04416	3.9
136.04721	0.2
139.03966	0.2
143.04910	0.8
145.02888	0.5
146.03598	0.2
147.03416	0.2
147.04376	1.0
149.02318	2.1
151.00276	6.5
152.00661	0.3
155.04909	0.4
157.02843	0.4
157.06476	0.8
158.03711	0.2
159.04427	0.5
161.02354	0.5
161.05966	0.6
167.04929	0.4
169.06453	0.4
170.03722	0.3
171.04416	1.4
173.02315	0.3
173.05965	0.5
174.03157	0.6
175.03909	3.1
176.01122	0.3
177.01871	1.1
183.04384	0.4
185.05998	1.5
187.03893	0.7
189.05519	1.0
195.04457	0.7
196.05232	0.3
196.08832	0.2
197.02415	0.2
197.06017	0.5
198.03130	0.9
199.03928	3.5
200.04333	0.3
201.01796	1.0
201.05482	0.4
205.05000	2.0
209.07593	0.2
211.03925	1.4
212.04654	0.4
213.05475	1.2
214.02617	0.3
215.03435	1.3
217.05019	1.6
223.03943	0.3
227.03407	0.6
228.03911	0.3
229.05005	1.8
239.03450	0.9
240.04202	0.4
241.04990	1.9
242.05190	0.2
243.02885	0.6
255.02965	0.2
256.03735	0.4
257.04523	2.0
258.04861	0.2
267.03030	0.5
268.03754	0.3
284.26563	0.3
285.04028	100.0
286.04382	8.4
291.74924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0399
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.47856	0.2
61.42334	0.2
63.02264	2.0
65.00190	2.8
69.37976	1.3
72.32583	0.2
81.03313	0.4
83.01238	0.9
93.03320	0.3
105.03335	0.8
107.01265	4.3
109.02824	0.8
121.02827	1.2
122.32526	0.2
132.02045	0.6
133.02843	20.0
133.99823	0.2
134.03148	0.8
135.04396	0.2
143.04968	0.2
147.04449	0.2
149.02336	2.6
149.56927	0.2
151.00261	6.4
151.03932	0.3
152.00555	0.2
171.04449	0.7
173.02356	0.3
173.06053	0.4
175.02483	0.3
175.03931	4.0
177.01874	0.5
185.06020	0.6
189.05498	0.3
197.06044	0.4
198.03114	0.6
199.03928	3.0
200.04190	0.2
201.01875	1.3
211.03883	0.4
213.05472	0.6
214.02602	0.3
215.03369	0.6
217.05064	1.7
223.04057	0.3
226.02611	0.2
229.05064	0.4
239.03450	0.3
240.04295	0.2
241.05074	0.9
243.03093	0.8
246.77248	0.2
257.04364	0.9
267.02884	0.5
284.26703	0.6
285.04016	100.0
286.04373	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	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.13789	0.5
51.23450	0.5
54.08662	0.5
59.01253	0.7
60.21179	0.5
63.02261	1.4
65.00190	2.9
71.53560	0.9
83.01255	1.3
86.75768	0.6
96.95911	1.0
105.03368	1.3
107.01262	3.8
109.02908	0.7
121.02847	1.2
123.04385	0.6
133.02847	22.6
134.03235	0.8
135.04410	0.6
149.02339	2.5
151.00281	5.7
152.01012	0.7
161.02345	0.8
167.03464	0.6
171.04413	1.0
173.05794	0.6
175.03902	4.2
179.92738	0.6
185.05930	0.6
197.06065	0.6
199.03964	3.8
201.01828	1.0
210.65878	0.5
217.05109	1.3
239.03519	0.7
241.04982	1.3
284.26773	6.0
285.04031	100.0
285.16925	1.5
285.27112	1.4
286.04385	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	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.74686	0.2
57.63015	0.2
63.02261	1.2
63.35277	0.2
65.00194	3.7
69.24516	1.8
77.84709	0.2
80.33885	0.2
82.37528	0.2
83.01245	2.0
94.63204	0.2
105.03350	1.2
107.01270	6.6
108.39555	0.2
109.02777	0.3
121.02841	1.6
132.02063	0.6
133.02846	37.0
134.03157	1.4
135.00755	0.3
143.04877	0.4
147.04384	0.2
149.02344	3.5
151.00275	8.9
152.00613	0.4
167.04898	0.3
171.04375	0.7
173.05928	0.3
174.03096	0.3
175.03914	5.8
185.05948	0.6
187.03987	0.4
189.05431	0.5
197.05899	0.3
198.03163	0.7
199.03912	4.1
200.04286	0.3
201.01878	1.6
202.02245	0.2
211.03914	0.5
213.05452	0.7
214.02658	0.3
215.03409	1.0
217.04976	2.1
223.03963	0.5
229.04951	0.4
234.67397	0.3
239.03423	0.3
241.05032	1.0
243.03033	1.0
244.73814	0.2
257.04553	0.6
267.02966	0.6
285.04028	100.0
286.04410	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01245	1.9
70.27972	1.4
71.01244	0.8
74.34631	0.4
83.18092	0.4
86.96608	0.4
89.02317	0.4
96.25549	0.4
107.04905	100.0
108.05236	2.7
113.02278	0.4
123.04440	0.4
150.53319	0.4
155.96918	0.4
163.11189	96.0
164.11517	5.3
283.17032	79.2
283.22845	8.3
283.26361	51.6
284.17377	8.2
284.23358	0.9
284.26724	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	284.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02548	0.6
53.88177	0.6
56.98251	0.6
58.19011	0.6
69.97675	1.0
69.98090	2.1
72.99185	6.8
75.00738	0.8
75.26643	0.6
79.61797	0.6
79.95601	7.8
80.96382	1.1
96.95886	4.7
116.04951	13.3
128.04930	5.7
128.38103	0.6
130.06516	5.9
133.02815	2.5
142.06525	42.0
143.06839	2.0
144.04449	1.6
145.98839	0.6
151.00220	0.7
156.04462	0.6
158.06023	30.8
159.06306	1.6
172.03908	0.6
186.05524	12.2
201.02036	0.7
204.06595	60.3
205.06990	2.8
210.02223	10.7
222.02255	19.3
223.02597	1.0
238.01753	1.7
283.26443	10.9
284.02341	100.0
284.26755	4.2
285.03851	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	281.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74459	3.6
55.01751	6.0
57.03301	5.8
59.01254	41.9
59.37116	3.2
62.69540	3.3
71.01252	100.0
71.52818	3.4
73.02821	18.8
83.01237	10.9
84.98993	3.4
85.02822	53.1
87.00727	5.5
89.02316	10.7
95.01257	11.2
95.04859	3.4
96.95889	6.8
99.00743	7.6
101.02332	15.8
108.02007	3.3
113.02331	74.2
119.04916	51.5
137.05949	5.8
137.09642	5.0
144.09328	3.1
161.04483	7.8
268.13379	3.4
281.07373	3.7
281.10278	12.2
281.13913	11.1
281.24808	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	283.0611
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
57.03312	0.4
59.01245	2.3
65.00187	1.3
70.28896	0.6
70.29285	0.9
71.01247	0.9
77.03835	1.4
78.18696	0.3
79.01759	5.7
83.01215	0.3
85.02832	0.4
89.02320	0.9
93.03335	0.6
95.01233	0.3
97.02828	1.2
101.02311	0.6
107.01238	0.3
108.02090	0.3
109.91306	0.3
113.02271	0.3
117.03337	27.1
117.49419	0.4
118.03674	0.9
119.04926	1.2
121.02839	5.3
121.04958	0.3
130.43153	0.3
135.04401	2.1
137.02312	0.6
148.01558	1.1
159.04408	1.0
161.02325	0.7
163.03912	8.4
165.01837	8.8
171.08087	0.3
183.02896	0.4
183.04430	0.8
192.51210	0.3
195.08064	1.2
197.05974	1.3
211.07449	1.0
215.07037	1.4
224.04724	0.8
239.07060	4.4
240.07404	0.4
241.04950	1.8
255.02966	4.6
255.05745	0.5
255.06670	0.6
256.03540	0.7
268.03729	0.9
283.06088	100.0
283.26395	30.4
284.03210	1.4
284.06381	9.9
284.26697	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	281.1032
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
57.03315	1.0
59.01248	6.3
65.03826	1.0
67.01764	3.0
70.28619	2.6
71.01249	3.5
71.65100	0.7
73.02814	1.0
85.02821	2.0
87.00771	1.5
88.69407	0.8
89.02318	2.0
91.05405	2.7
96.95918	1.5
97.31870	0.8
101.02320	1.3
103.68065	0.9
106.55814	0.8
107.04902	2.6
109.02829	1.7
111.04469	1.1
113.02288	0.7
119.03412	0.9
119.04871	1.3
121.02843	0.9
121.04237	0.7
129.06848	0.8
133.02802	1.3
133.06497	10.4
135.04419	3.4
137.02328	1.9
149.02289	1.3
149.05975	2.6
150.03131	2.0
151.03894	8.4
158.06078	1.8
161.02351	1.3
161.04530	0.9
163.03902	10.1
165.05455	1.4
177.05495	27.0
178.05869	1.3
179.03429	2.7
181.04993	3.5
190.02658	4.6
191.06953	0.8
193.05005	5.8
205.04964	5.4
205.08696	1.4
207.06560	38.8
207.08516	2.0
208.06911	2.4
209.04535	1.7
221.08134	1.2
223.09712	1.3
233.08171	1.1
251.09085	1.1
263.09274	2.0
263.12927	0.9
279.08765	1.2
281.10306	100.0
281.13757	8.9
281.24826	3.6
282.10602	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	281.1028
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
51.26695	1.0
57.03313	2.4
59.01247	15.8
71.01249	5.0
71.53356	1.7
81.52219	1.2
83.01221	1.5
85.02828	3.7
89.02313	2.5
96.95858	1.9
97.06499	1.3
101.02325	4.0
113.02332	3.1
122.03677	1.2
124.01578	1.2
125.05960	1.5
135.00722	1.5
137.02322	18.5
138.03139	2.3
149.02342	9.2
151.03897	8.8
153.05479	3.6
161.04468	2.0
163.00269	100.0
164.00670	2.8
165.01820	1.1
167.10695	1.1
177.01845	38.9
178.02654	7.3
195.02905	1.5
205.01302	6.0
205.04947	2.0
205.08716	1.6
208.07364	11.7
209.04533	1.4
215.87233	1.4
219.13860	1.5
220.03726	2.2
222.08881	2.5
223.09689	39.7
224.10056	2.2
235.09773	1.7
237.11307	1.9
237.14912	3.7
244.06355	1.2
248.06876	74.0
249.07172	5.6
263.09235	48.5
264.09579	4.9
281.10303	68.5
281.13821	8.3
281.17117	1.8
281.24731	5.5
282.10764	5.8
282.13470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25155	0.2
59.01252	2.3
70.05489	0.8
71.01260	0.6
83.04936	0.3
90.91441	0.3
127.07508	0.3
146.08096	0.3
161.38426	0.2
165.79570	0.2
168.53961	0.2
205.15976	0.4
219.03154	0.3
220.23703	0.2
232.94887	0.2
233.22771	0.6
259.20538	0.4
275.20206	0.5
277.21716	100.0
278.22079	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01238	0.5
66.61571	0.3
67.89019	0.3
71.10947	0.5
73.91371	0.3
114.95578	0.3
164.60941	0.3
165.05287	0.3
169.01152	0.3
190.95699	0.3
233.22600	0.9
275.20096	0.4
277.21707	100.0
278.22049	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
71.10431	1.3
92.10870	0.6
126.95586	0.7
129.04268	0.6
129.85916	0.6
279.23282	100.0
280.23636	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	281.103
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
57.03310	2.4
59.01250	17.5
61.71707	1.0
69.94035	4.2
71.01252	5.4
73.02824	1.7
77.12752	0.9
83.04905	1.2
84.06360	0.9
85.02808	2.5
89.02330	2.3
95.01244	1.3
96.95877	3.4
97.02832	1.2
99.00752	4.5
100.00568	0.9
101.02318	4.5
113.02338	3.4
123.04362	1.2
135.00745	2.0
137.02357	2.3
139.03865	1.2
149.02359	8.3
151.03906	15.7
152.04688	1.4
161.04509	2.4
163.00279	73.3
164.00636	3.1
165.01857	4.5
175.14772	1.0
177.00276	2.0
177.01842	41.4
178.02496	4.1
186.29413	1.0
192.04219	1.0
194.05777	1.3
195.02907	2.1
205.01335	11.1
205.08589	1.2
208.07411	1.6
219.13957	1.5
220.03784	8.5
222.08975	4.2
223.07877	1.0
223.09633	5.5
231.06500	1.5
237.11256	2.6
237.14915	2.6
248.06876	54.6
249.07251	4.2
251.09233	2.9
263.09219	26.8
263.12299	1.3
263.13226	1.1
264.09546	1.3
281.10315	100.0
281.13895	12.1
281.17270	2.7
281.24789	8.4
282.10690	8.6
282.13992	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	281.1031
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
55.01748	0.8
57.03323	1.9
59.01249	11.5
61.98711	0.9
70.56877	0.8
71.01249	3.5
73.02824	2.9
75.00745	11.9
77.03844	1.2
79.77096	0.7
81.03345	0.8
83.04903	2.6
85.02840	2.0
87.00765	1.1
89.02299	1.9
96.21742	0.8
97.02832	4.8
98.20547	2.7
101.02325	2.6
107.04927	2.4
108.02054	0.9
111.04417	1.1
113.02337	1.6
119.03389	0.9
122.03632	1.5
123.04409	1.9
125.02304	0.9
135.04433	1.9
137.02379	3.6
138.03125	42.8
139.03828	1.9
149.02347	1.4
149.05928	1.1
150.03119	1.8
151.03947	2.7
151.11223	1.5
153.05479	65.7
154.05830	3.0
161.04472	1.1
161.06091	0.8
162.06761	4.5
163.00392	1.1
165.01833	2.0
165.05531	0.9
166.02632	4.4
167.03419	1.4
173.05977	1.2
177.01852	3.3
178.02625	4.3
179.03410	6.9
181.04979	4.1
189.05457	1.3
190.06320	8.6
193.05016	2.0
195.02885	0.9
205.08635	75.3
206.08983	4.4
207.02818	1.2
211.06056	1.5
213.05534	0.8
219.13925	3.1
223.09698	48.9
224.10059	3.2
230.05847	3.2
231.06526	0.9
237.14949	7.1
238.15273	0.8
245.08040	1.4
249.07542	1.4
249.11253	3.7
263.09219	5.9
263.12872	1.1
263.16144	0.9
266.07986	1.8
281.10327	100.0
281.13855	13.0
281.24710	5.1
282.10706	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.86813	0.3
59.00985	0.6
59.01301	3.5
60.97421	0.8
64.58842	0.3
64.59811	0.3
71.01304	0.8
71.24409	0.4
71.24755	0.5
72.75894	0.3
87.02605	0.3
103.02147	0.5
113.69563	0.4
121.03173	4.9
146.99292	0.7
147.08395	4.1
154.94695	0.4
165.00368	12.3
166.00372	0.6
180.99886	1.3
183.01442	0.5
189.04033	1.4
191.05582	11.6
192.05760	0.6
205.07161	1.4
205.15932	0.6
207.05064	0.7
217.07097	0.7
231.08687	1.4
232.09172	0.4
233.10312	100.0
234.10471	9.5
241.13570	0.3
251.11249	0.5
259.15558	0.9
277.16565	90.3
277.21341	22.0
278.16711	11.3
278.21588	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32884	0.2
59.01247	1.6
60.17635	0.1
61.54185	0.1
67.01749	0.1
69.51666	0.9
69.51996	0.3
71.01236	0.6
77.41966	0.1
83.04880	0.3
88.41655	0.1
105.09742	0.1
116.71845	0.2
127.07543	0.4
233.22742	0.5
259.20663	0.5
275.20120	0.4
277.21701	100.0
278.22061	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
54.17590	0.9
59.01259	6.3
62.40540	1.1
65.50985	1.0
70.11174	0.9
71.01268	2.9
76.81252	1.3
116.86810	1.1
116.92667	1.1
139.42233	1.0
166.07123	1.0
177.16496	2.3
199.07916	1.1
209.14229	1.1
226.01538	1.2
231.21075	7.5
245.04468	1.5
257.19254	1.3
275.05588	2.3
275.09244	2.7
275.20157	100.0
276.20444	6.9
280.81271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	Populene G
Peak:m/z	Relative Intensity
50.23560	0.3
59.01254	0.6
63.14055	0.3
67.01756	0.5
70.73182	0.6
71.01243	0.5
71.75178	0.3
75.65134	0.3
79.05396	0.4
81.03309	1.6
83.04905	0.4
91.05389	0.3
93.30146	0.3
103.61477	0.3
105.70381	0.3
108.02042	1.2
109.02805	0.4
111.00742	0.3
117.16940	0.3
121.02844	0.7
123.00722	0.4
125.02315	0.3
131.08585	2.2
133.02866	0.4
136.01550	2.0
136.05190	0.4
137.02344	4.1
137.47119	0.3
139.00272	1.0
139.03899	1.6
141.06918	0.3
142.88899	0.3
145.10107	3.9
149.02341	1.8
151.00302	2.4
152.01103	0.6
153.01825	0.6
155.08560	0.9
158.07256	0.9
158.58459	0.4
159.08003	0.4
160.05304	0.3
161.04704	0.3
161.05952	2.1
163.03865	2.0
164.04712	1.1
165.01839	12.8
166.02661	3.8
168.05705	1.0
169.06435	0.5
171.08038	1.6
172.05215	1.3
173.09599	1.0
175.03941	0.6
175.07610	0.5
176.08359	0.7
177.01878	0.7
179.03339	0.5
181.01332	0.9
183.02936	0.7
183.08092	0.6
185.05943	0.4
186.06743	1.5
187.07587	1.2
189.03752	0.5
189.05479	11.1
189.09091	1.0
190.05945	0.7
191.03415	4.8
191.07014	1.4
192.04129	0.7
193.04977	0.4
199.07552	1.6
201.05455	1.5
201.09094	1.5
202.06453	0.3
203.07088	4.9
204.04170	0.3
204.07854	3.3
205.08708	0.4
206.05763	0.5
207.02850	0.6
207.06543	0.5
212.04678	0.5
213.05499	0.6
214.06302	0.4
215.07022	0.5
216.07793	1.0
217.08644	15.1
218.05846	3.0
218.08969	1.0
219.06644	2.1
220.07069	0.4
221.04491	6.0
227.07100	8.0
228.07391	1.1
231.06581	14.4
232.07318	6.5
233.07912	1.1
244.07355	3.4
245.08148	92.5
246.08499	8.0
261.07608	1.0
262.08438	100.0
263.08786	7.3
277.10797	40.1
277.21582	3.0
278.11108	3.4
278.21985	0.4
282.95364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
57.03317	0.7
59.01252	5.8
67.34338	0.7
71.01251	1.7
71.53017	1.0
76.02396	0.8
80.13864	0.8
80.21729	0.7
111.00808	1.0
126.46732	0.7
161.02347	1.3
177.16402	2.1
231.10255	1.8
231.21135	8.9
257.18982	1.4
260.06870	1.1
275.09286	4.0
275.20148	100.0
276.20459	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17596	0.6
59.01249	5.1
71.01229	1.2
71.10296	0.9
76.08383	0.7
102.74471	0.7
177.16377	2.9
231.21118	7.9
250.56972	0.6
257.18802	1.0
275.20139	100.0
276.20511	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	274.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34189	1.5
59.12768	1.6
68.99674	3.1
70.65746	2.5
70.66084	3.6
98.20506	1.8
115.05439	3.1
121.02807	1.5
143.04938	7.5
147.00774	6.1
157.06494	8.2
159.04459	5.6
171.04396	2.8
173.05998	6.6
175.00342	2.7
176.01102	3.5
185.02449	1.9
185.06055	3.0
187.03951	6.2
189.01884	7.8
190.16135	1.8
201.05507	10.7
212.04671	6.4
214.02623	1.8
215.03448	44.6
229.04994	23.5
230.05794	56.6
231.06197	3.5
245.04465	2.4
274.04828	100.0
275.05231	8.8
275.09192	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	275.0562
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
59.01246	1.1
62.49892	0.4
65.31187	0.3
84.72324	0.3
86.89503	0.3
96.95908	0.4
98.95471	1.1
98.96237	0.3
117.03352	1.0
134.03532	0.4
145.02885	0.4
157.06479	3.7
158.06821	0.4
161.81358	0.3
163.03902	1.0
170.03676	0.6
173.02359	3.1
176.01047	0.7
184.05220	0.3
185.05974	2.9
186.71262	0.3
198.03130	3.2
202.61417	0.4
203.07054	1.8
212.04730	1.8
213.05502	100.0
214.05844	7.0
231.06573	27.6
232.06911	2.5
254.36545	0.4
257.05359	0.4
275.05597	46.8
276.05930	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04272	0.2
68.99687	0.5
71.51788	0.3
74.82016	0.2
85.12761	0.3
89.25907	0.2
100.15784	0.2
107.04910	0.3
120.02033	0.5
128.68925	0.2
143.04936	0.8
149.02350	0.8
157.06490	0.8
159.04398	0.7
161.02312	0.3
170.03696	0.2
171.04385	0.7
173.05910	0.3
176.01022	0.4
177.01869	2.7
183.04533	0.4
185.05959	1.2
187.03952	0.6
187.07602	1.2
189.01820	0.8
189.05399	0.4
197.05890	0.3
201.05492	0.9
203.07079	0.6
205.01398	1.4
205.04823	0.3
206.02077	0.7
211.03897	1.0
212.04630	0.7
213.05490	1.4
214.06293	1.0
215.03506	2.7
215.06995	2.1
217.04973	0.3
219.03000	2.0
227.03441	0.4
229.05052	2.0
230.05661	0.7
231.06499	0.6
241.05008	4.3
242.05788	1.7
243.06624	2.9
244.07101	0.4
245.04524	10.7
246.04884	0.5
258.05322	0.8
259.06097	4.5
260.06879	100.0
261.07236	7.8
275.09250	12.6
275.12421	0.3
276.09515	1.0
293.86533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84074	1.6
55.29259	1.5
56.05061	1.4
59.01256	3.0
62.35920	1.4
71.01291	1.3
71.52999	1.6
85.60774	1.4
96.95889	3.0
110.02360	5.9
110.06013	4.1
121.05246	4.0
123.03191	1.7
128.51265	1.4
134.05988	4.3
136.03978	12.7
136.07576	29.3
138.05498	6.5
147.03127	6.4
148.03969	1.9
149.04718	4.2
150.05482	1.8
150.09062	2.3
161.04742	2.0
162.05502	13.3
175.10448	1.6
182.06075	2.6
183.06989	2.0
197.06917	3.6
197.08440	5.9
198.08786	1.5
201.05962	1.8
201.07869	11.3
211.05086	11.5
212.05786	4.0
212.10756	23.1
213.06671	3.3
213.11060	1.7
214.02625	1.7
214.08598	2.5
215.09467	11.6
225.06642	32.6
226.07428	33.7
227.08116	6.7
227.11855	2.0
229.04878	2.0
229.08746	1.7
229.10970	1.6
230.11830	27.9
230.19157	1.7
231.12173	2.2
239.08197	2.6
240.09029	22.7
241.09370	1.6
243.07692	6.6
244.08395	4.1
254.10555	4.1
255.11372	100.0
256.11691	6.8
258.05569	1.7
258.10208	7.0
273.03680	2.4
273.07648	6.1
273.12430	28.2
273.17096	2.8
274.04901	2.1
274.12830	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	271.2279
Annotation	Jalapinolic acid
Peak:m/z	Relative Intensity
59.01251	100.0
60.01587	1.2
63.07009	0.6
67.86738	0.6
69.54099	1.6
69.54515	2.5
98.84749	0.6
108.02045	2.0
109.02831	2.1
112.90667	0.7
125.02342	3.8
164.14554	0.7
211.67691	0.8
225.22273	1.6
241.05051	0.7
261.57843	0.7
271.06110	0.9
271.22787	52.1
272.23160	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01258	1.3
95.97035	1.0
96.19934	1.0
98.19750	2.4
108.02039	2.0
109.02815	2.1
111.73485	1.0
113.96895	1.0
116.61423	1.1
125.02316	4.5
141.14273	1.0
203.11601	1.1
223.20656	3.6
225.22189	62.6
226.22572	4.9
271.05945	1.2
271.22781	100.0
272.23050	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	273.0769
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
81.03322	3.0
83.01236	0.9
89.03839	2.3
93.03353	1.0
99.08192	0.4
104.02602	0.7
114.20666	0.5
118.04128	2.5
119.04948	2.6
123.04386	3.5
125.02316	1.4
130.04086	0.8
132.02040	0.7
134.03609	1.3
148.01553	4.4
160.01573	1.1
161.02332	12.1
162.03119	2.6
167.03415	6.6
173.02347	3.8
173.09650	0.6
174.03143	4.1
175.03885	0.8
176.01062	12.8
177.01712	0.5
187.03868	1.2
188.04689	1.2
189.01869	5.6
189.05411	0.5
190.02637	16.6
191.03114	1.0
198.03279	0.8
199.03888	1.0
201.01862	30.1
202.02637	11.0
205.01274	0.6
206.43141	0.5
211.03912	1.0
213.05428	0.7
214.02548	0.7
215.03452	25.4
216.00682	4.5
216.04185	15.5
216.06273	0.9
217.04750	1.1
217.08403	0.7
218.02127	0.8
222.01648	1.4
227.07156	0.8
229.05025	2.3
229.08365	0.6
230.05771	0.7
244.03854	0.6
245.08157	100.0
246.08498	7.0
255.06512	0.7
271.22699	0.9
273.07669	92.9
273.24380	1.4
274.05215	0.5
274.08014	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	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
97.02817	0.6
98.20550	1.5
108.02055	2.9
109.02847	2.4
125.02330	4.2
164.54716	0.5
170.27332	0.5
225.22162	3.6
253.21629	1.9
269.21219	0.6
271.05927	1.0
271.22772	100.0
272.23117	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.18695	0.2
52.18838	0.3
53.61563	0.2
57.03322	0.4
70.29311	1.0
89.63232	0.3
98.19914	0.3
108.02065	1.4
109.02843	1.1
111.31164	0.3
116.78544	0.3
125.02328	2.1
139.21252	0.3
151.00308	0.4
209.19144	0.4
211.20688	1.6
225.22224	1.6
253.21675	1.2
268.97293	0.3
269.21262	0.6
271.22772	100.0
272.20303	0.6
272.23129	7.8
288.71826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1915
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
59.01250	1.5
71.01209	1.1
74.63956	0.8
83.04893	1.1
88.42059	0.9
108.02026	7.3
108.12863	0.9
109.02857	5.8
109.90571	1.1
125.02325	10.0
166.43892	0.9
207.17590	1.0
209.19037	53.9
210.19453	3.5
227.20110	1.8
233.33122	0.9
241.04973	1.4
253.18059	44.2
254.18407	2.9
271.02780	1.0
271.06094	2.8
271.19141	100.0
271.22601	8.7
272.19492	6.3
273.21082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
55.69819	0.5
59.01237	1.0
66.52237	0.5
69.33268	2.2
69.33694	2.0
71.01243	0.8
83.01230	0.6
91.53281	0.5
93.03322	0.9
107.01263	0.6
108.02032	2.3
109.02825	2.0
117.03342	1.4
119.04884	2.0
121.02802	0.5
125.02338	4.0
127.07644	0.6
137.02359	0.7
141.06964	2.0
143.03824	1.1
143.04927	22.7
144.05231	1.4
145.02815	0.9
151.00285	0.7
157.05309	0.5
157.06442	3.3
159.08061	5.4
167.04926	0.8
170.03716	0.7
181.06561	3.2
182.07257	4.2
183.08063	7.0
184.05188	1.1
184.65843	0.5
185.06003	32.5
186.06277	1.8
225.05566	1.0
227.07079	100.0
228.07443	6.9
253.05043	7.0
257.11057	0.6
271.06104	53.0
271.15472	1.3
271.19193	1.1
271.22647	2.2
272.06506	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	267.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16683	1.5
57.03327	10.2
59.01242	6.0
64.35877	1.4
65.11526	1.4
69.03313	5.0
71.01245	4.8
71.04887	2.0
71.24838	1.3
72.93706	1.6
80.02547	1.6
85.02811	2.5
89.02315	1.5
95.04901	23.7
97.02863	3.7
98.03607	19.9
109.06477	34.2
113.02289	1.8
121.06481	2.7
124.05155	3.6
127.07539	56.2
128.07854	2.8
139.07524	24.1
140.07880	1.4
151.11182	6.1
156.22765	1.5
195.13768	2.1
195.17497	1.6
205.15842	9.2
223.16995	38.6
224.17276	2.4
249.14890	2.7
267.15997	100.0
268.16287	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0448
Annotation	Apigenin
Peak:m/z	Relative Intensity
58.11489	0.1
58.38303	0.1
63.02268	5.0
64.02606	0.3
65.00193	2.8
67.62878	0.1
69.59042	0.4
69.59456	0.6
71.40893	0.1
73.92673	0.1
79.01758	0.2
80.45205	0.1
81.03299	0.3
83.01267	0.9
93.03332	1.0
103.05450	0.1
105.03335	0.5
107.01270	4.3
108.46806	0.1
117.03350	13.5
118.03691	0.7
121.02820	0.9
135.04393	0.9
145.02943	0.1
149.02341	3.1
149.06160	0.1
151.00284	3.8
155.04898	0.3
157.06427	0.4
159.04424	3.5
160.04800	0.2
161.02377	1.6
167.04950	0.2
168.05669	0.2
169.06499	1.0
171.04446	0.3
180.05695	0.5
181.06503	0.8
182.03688	0.4
183.04427	1.7
196.05258	0.5
197.06001	1.1
199.03951	0.2
201.05527	1.4
203.03406	0.2
209.33998	0.2
213.05565	0.3
216.76302	0.2
218.94333	0.2
224.04765	0.6
225.05510	2.4
225.09079	0.3
226.05865	0.2
227.03499	1.3
241.05002	0.3
246.72720	0.2
268.03787	0.2
269.04547	100.0
269.21198	1.3
270.04889	7.0
285.18289	0.1
293.34995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01249	1.6
71.01250	1.1
71.52460	1.1
71.52850	0.6
73.02817	0.9
73.41069	0.5
82.34045	0.7
83.04850	0.6
115.17122	0.5
120.04456	1.8
134.06042	0.9
136.07532	1.0
150.09119	0.6
186.95561	1.0
197.07095	0.7
211.08685	4.5
212.09064	0.7
225.06645	0.9
225.10268	5.9
226.12518	1.0
239.08202	4.9
241.13498	4.1
251.11913	0.7
251.16591	0.8
251.20267	0.7
253.09682	3.2
254.10579	16.6
255.10832	1.2
269.04532	2.4
269.12939	100.0
269.21179	12.0
269.24765	3.8
270.13266	8.4
270.21585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02265	9.2
65.00190	23.2
67.01748	0.3
68.99685	1.0
70.54932	0.5
70.55256	0.6
83.01255	15.3
84.09261	0.3
93.02760	0.7
93.03331	11.0
94.03714	0.4
97.63322	0.3
103.22160	0.3
107.01265	31.7
109.02862	0.3
116.26885	0.4
117.03380	0.8
119.04909	82.3
120.05236	3.4
121.02843	0.9
125.02319	2.3
133.02850	0.8
135.04456	0.9
137.02338	0.4
141.24609	0.3
143.04941	2.2
145.02837	3.1
151.00267	95.9
152.00616	2.8
156.05692	0.5
161.05948	2.7
165.01846	4.1
169.01353	2.4
177.01851	7.1
178.02180	0.5
184.05196	0.6
185.06001	4.3
186.06256	0.4
186.46078	0.3
187.03911	7.4
188.04439	0.4
199.07448	0.6
227.07079	4.6
229.05032	0.5
253.05002	0.7
271.06100	100.0
272.06390	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38673	0.3
69.33944	0.3
71.01884	0.4
71.02225	0.3
76.18932	0.3
79.95589	2.3
95.95101	0.7
96.95884	100.0
112.24518	0.3
116.29401	0.3
129.06741	0.3
265.14761	72.1
266.15082	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
52.96408	0.4
55.67139	0.3
59.01237	1.2
59.83521	0.4
69.12788	0.3
71.01250	0.6
71.23992	0.4
71.24313	0.4
79.52562	0.3
79.95625	0.5
96.95889	19.0
106.00848	0.4
177.05418	0.4
219.86586	0.4
247.20648	0.6
265.14828	13.5
265.21707	100.0
266.15073	1.0
266.22040	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	265.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74717	0.3
59.01229	1.4
63.02245	1.1
69.03304	0.4
69.20986	1.7
69.21404	1.1
71.01253	0.4
85.02805	0.4
87.83701	0.3
95.01241	0.5
95.04906	0.7
96.95870	0.5
97.02834	0.8
98.20556	0.7
101.02332	0.6
107.04941	0.4
108.02023	0.5
109.02821	0.9
109.06443	1.9
121.02846	4.9
122.03600	0.7
124.01563	5.9
131.08531	1.4
135.04379	0.9
136.01550	1.1
137.02339	19.5
138.03152	6.2
139.03926	2.8
147.04440	0.3
149.01242	0.4
149.02347	7.0
149.05939	0.8
151.03912	5.3
152.01047	0.6
152.04718	3.1
161.02344	1.9
161.09666	0.5
163.03909	0.8
164.01050	0.6
164.04744	0.3
164.08325	1.8
165.01839	0.6
165.09146	0.4
175.07558	0.4
176.01051	1.0
176.08325	0.9
177.01855	7.7
177.05475	3.0
178.02289	0.4
179.03346	0.7
189.01851	16.6
189.05487	0.5
189.09138	1.3
190.02162	1.2
191.07082	0.6
192.07834	11.0
193.08401	1.2
204.07813	1.1
205.08629	0.5
207.10199	100.0
208.10547	6.2
217.04918	0.7
219.06657	0.4
219.10130	0.9
221.08221	0.7
221.11861	0.5
221.15422	7.2
232.07376	9.8
233.07961	1.1
235.09766	0.9
247.09721	8.7
248.10016	0.4
265.10809	42.4
265.14282	2.3
266.11053	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	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01250	6.4
71.01273	1.0
71.32213	0.8
78.95818	0.8
83.01252	0.6
85.02857	0.7
95.01223	0.5
101.06133	0.5
105.52171	0.5
106.89969	0.8
117.92854	0.5
137.02376	1.2
177.12827	0.7
179.03452	2.0
193.08583	0.6
203.14345	2.9
207.10356	0.6
221.15417	100.0
222.15726	7.7
223.13300	0.6
237.14888	0.6
247.13385	1.1
265.10876	3.4
265.14429	24.8
266.14758	3.3
266.84143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.08097	0.4
56.33958	0.4
59.01254	2.8
69.23062	0.4
71.01272	0.7
71.24485	0.6
75.89497	0.4
101.37395	0.4
127.07509	0.6
219.21075	0.6
261.18677	0.7
263.20145	100.0
264.20480	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	265.0717
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
56.90930	0.4
57.03304	2.1
59.01239	2.6
61.98696	0.6
64.32146	0.5
65.00191	6.0
67.01752	0.9
68.99693	5.8
69.03310	0.6
71.01254	1.1
71.45226	0.8
73.02821	0.8
78.07275	0.4
79.95594	0.7
81.03331	0.8
83.01263	4.8
83.04897	0.7
85.02790	0.9
89.02316	0.6
93.03313	0.7
95.01259	1.2
96.95875	2.3
97.06503	0.5
101.02325	0.8
107.04903	1.4
107.08553	1.6
107.58981	0.5
108.02013	1.2
109.02838	2.1
109.06474	9.0
111.00759	1.1
111.08021	0.9
121.02809	0.4
122.03659	0.5
123.04380	0.5
124.01553	3.1
125.02409	0.6
125.09597	1.9
131.08568	0.5
133.02846	0.6
133.06488	17.3
134.06908	0.4
135.04405	0.8
135.08051	1.6
137.02321	1.9
138.03104	1.3
144.05540	0.4
147.08060	0.6
149.02312	0.7
149.05933	0.8
149.09636	5.4
150.03143	4.2
151.07547	9.5
152.01045	1.3
153.01830	0.5
161.05902	0.5
161.09515	0.5
163.00291	1.3
163.03903	0.9
165.01820	2.0
166.02589	2.7
175.07596	3.3
176.01024	2.6
177.01852	2.3
177.05460	0.5
177.09117	4.2
177.12872	0.5
178.02628	3.5
179.03357	0.5
192.11963	0.5
193.08635	11.2
194.08844	0.7
196.55231	0.4
199.98001	0.4
201.12750	1.5
203.14349	1.9
219.06572	23.7
219.13824	1.0
220.06903	1.4
221.08134	100.0
222.08487	6.3
243.25227	0.4
247.13373	1.8
261.39539	0.5
263.78900	0.5
265.07199	7.0
265.10477	0.9
265.11145	0.9
265.14444	9.4
266.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01243	3.0
71.01250	2.6
81.03324	2.4
83.01259	2.4
85.02838	1.1
88.54294	0.7
93.03332	1.5
95.04928	1.1
96.95876	1.3
98.19785	1.8
98.94143	0.7
101.02306	1.7
107.04897	0.6
109.02872	0.6
113.02370	0.8
113.05981	1.7
119.04910	0.7
121.02852	0.8
123.04415	1.1
124.01556	2.1
124.95116	0.7
133.73296	0.7
135.04398	2.0
137.02353	3.7
138.03142	3.1
139.03885	0.9
147.08005	0.7
151.03914	4.4
152.01047	1.0
152.04762	1.1
153.05493	5.4
161.02299	0.8
163.00417	0.9
163.03841	0.6
165.01875	1.5
177.01874	0.8
177.05440	1.0
179.03416	35.9
180.04199	46.7
181.04558	2.2
187.07497	1.3
189.01851	1.1
189.05588	0.7
189.09111	1.0
191.03404	1.1
193.05023	0.9
194.05763	0.8
195.06573	21.1
196.06851	0.9
197.15430	1.6
201.14159	0.6
203.07019	0.9
203.14484	1.2
204.07933	1.4
205.08640	2.3
207.10254	2.9
217.05125	4.0
221.15350	1.6
223.09724	1.0
226.04845	1.2
231.06580	5.8
232.07310	5.5
233.08034	0.7
234.04247	0.7
237.14824	0.9
247.09724	28.4
248.10071	3.0
265.10818	100.0
265.14249	13.4
266.11121	7.2
266.14307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0923
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
59.01233	0.4
59.39606	0.3
63.02270	1.9
65.00186	1.7
65.57200	0.4
67.01742	0.6
68.99677	0.6
72.99181	0.5
73.73189	0.3
91.01758	1.4
95.01238	2.6
97.02798	0.6
108.02055	1.9
109.06468	2.3
117.45673	0.4
119.01275	0.6
121.02843	6.3
122.03656	0.6
123.04328	0.8
124.01546	6.7
129.07008	0.4
131.08543	1.5
133.02843	0.5
133.06461	1.2
135.04405	0.6
136.01558	2.2
137.02336	15.8
138.02725	0.5
139.03914	1.0
147.08018	0.6
148.01588	0.7
149.02342	12.8
149.05965	0.4
151.03900	5.3
152.01045	11.2
152.04749	2.4
153.01338	0.7
157.06511	0.6
159.08075	2.7
161.02359	5.1
161.05927	1.9
163.00266	7.1
164.04655	0.5
164.08351	1.2
165.01833	10.6
165.09027	0.8
166.02185	0.5
175.00259	1.7
175.07588	2.0
175.98813	0.3
176.01018	0.7
176.08339	4.4
177.01845	45.3
177.05424	1.6
178.02571	5.9
179.03316	1.4
187.07533	3.5
189.05482	2.3
189.09167	0.5
191.03400	0.5
191.07033	0.7
191.10696	1.6
192.07840	9.3
193.08199	0.8
196.14456	0.4
203.03490	1.0
203.07007	1.9
204.07845	3.9
205.04968	6.8
205.08453	0.5
207.10191	66.4
208.10535	4.6
215.06952	0.6
216.07780	1.3
217.08528	0.7
219.06635	2.9
219.10165	6.9
220.07343	9.7
220.10545	0.7
221.07773	0.7
229.13144	0.4
231.06717	0.6
233.08160	0.9
235.09708	27.4
236.10042	2.1
263.09219	100.0
264.09576	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	262.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01206	1.1
67.01720	1.1
69.69260	2.0
73.46847	0.4
79.05390	2.3
81.03333	3.9
83.01196	1.5
88.99279	0.4
90.52305	0.4
93.03286	0.7
97.02788	0.5
103.05351	0.6
107.04822	0.6
108.01970	1.2
117.06950	0.7
119.04875	0.8
121.02761	0.7
123.00711	0.8
123.43113	0.4
129.06967	1.0
131.08551	4.4
135.04321	0.8
136.01582	2.0
137.01427	0.5
137.02342	8.4
137.99451	0.6
139.00183	1.2
139.03886	2.8
141.07002	0.6
143.08511	0.4
144.05629	1.1
145.06421	0.5
145.09151	0.4
145.10144	7.8
146.10413	0.6
147.04352	0.6
149.02367	2.9
151.00275	5.8
152.00980	1.2
153.01730	0.8
155.08553	2.1
156.05647	1.0
157.06377	0.5
158.07213	1.6
159.04343	0.6
159.07942	0.5
161.05916	1.7
162.03108	0.9
163.03957	2.8
164.04591	1.6
165.01854	17.6
166.02641	5.1
167.04889	0.6
168.05711	2.5
169.06425	0.5
171.08098	3.2
172.05115	1.3
173.05830	1.0
173.09618	1.1
175.03882	1.6
175.07532	0.7
176.08234	0.9
177.01825	0.7
179.03259	0.6
181.01305	1.5
183.02826	1.2
183.08060	1.1
184.05193	0.9
186.06726	1.1
187.07494	1.6
189.05508	11.8
189.09053	1.0
190.05893	1.3
191.03441	6.3
191.06949	1.6
192.03935	0.5
193.05031	0.7
199.07561	2.8
201.05487	1.7
201.09161	2.3
202.06248	0.8
203.05399	0.5
203.07088	5.0
204.04121	0.5
204.07848	3.1
206.05788	0.8
212.04779	1.0
213.05350	0.6
215.07071	0.5
216.07759	1.2
217.08644	20.0
218.05798	3.6
218.08907	1.2
219.06429	3.1
220.06993	0.5
220.57878	0.5
221.04468	7.2
227.07085	9.6
228.07333	0.7
231.06604	14.2
232.07310	5.1
233.07889	1.0
244.07384	4.8
245.08153	100.0
246.08501	7.4
247.05649	2.9
261.07718	1.4
262.08453	51.6
263.08878	4.9
263.12830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72861	1.5
59.01257	8.2
70.02853	9.9
72.04424	4.1
74.02348	100.0
75.02681	2.0
84.04425	1.8
86.11872	1.6
88.76948	1.5
97.87475	1.5
98.02350	28.1
116.03425	56.2
123.78365	1.8
125.09655	1.7
128.03433	7.3
132.04446	36.0
132.05428	2.9
133.04735	1.5
144.04477	6.4
165.01884	1.9
177.89908	1.6
201.06621	15.1
209.24832	1.7
219.07738	3.7
261.08929	22.8
261.22256	3.7
262.08923	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88181	0.3
70.43784	0.4
70.44112	0.8
88.07257	0.4
95.92476	0.4
119.04929	1.7
125.09631	0.4
137.50356	0.4
147.04417	5.8
157.10133	0.4
159.04443	3.1
161.05978	1.5
174.06776	0.5
183.08112	1.7
184.08844	0.9
185.09665	1.7
187.07578	4.6
189.09175	0.6
189.80287	0.4
191.03429	1.7
201.09142	19.5
202.09914	28.9
203.07141	0.4
203.10292	2.5
205.05022	0.7
205.08612	6.3
206.08859	0.4
207.10201	2.1
217.12280	19.5
218.12584	1.5
229.08638	1.2
231.06618	1.2
238.04785	0.4
245.08138	5.1
246.08936	45.0
247.09312	4.0
261.11295	100.0
262.11630	9.1
262.14407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46860	3.3
95.22405	0.5
98.85028	0.6
113.03110	0.5
117.03393	0.8
119.04912	2.4
122.75304	0.6
125.09631	1.2
130.11232	0.5
147.04413	11.6
155.08575	4.5
157.10097	1.2
159.04433	4.8
161.05991	0.9
169.06461	0.6
170.07239	0.7
173.05911	0.6
183.08044	2.1
184.08846	2.0
185.09621	8.8
187.07530	3.7
189.09119	0.6
191.03403	1.8
201.09137	20.1
202.09917	71.6
203.10219	4.9
205.05046	0.6
205.08643	5.4
207.10204	2.0
217.12283	24.5
218.12650	1.7
229.08734	1.1
231.06557	1.3
245.08124	3.7
246.08926	36.0
247.09315	2.5
247.11546	0.6
261.11288	100.0
261.22137	1.3
262.11606	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84174	0.3
65.29627	0.4
67.01770	0.4
67.83069	0.3
70.33495	0.6
79.05405	0.7
81.03341	1.0
95.87816	0.3
117.06989	0.5
122.03632	1.5
123.04400	1.0
123.44357	0.3
131.08575	2.9
133.06509	0.4
135.04404	0.8
139.03931	0.4
141.06978	0.7
144.05743	0.5
145.10135	0.4
149.43541	0.3
150.03120	3.9
151.00304	1.0
151.78073	0.3
152.01099	0.6
157.81348	0.3
161.06007	1.8
161.85069	0.3
163.03917	7.3
164.04237	0.4
165.01883	0.5
166.23077	0.3
167.03331	0.3
170.26093	0.3
172.05165	1.0
173.09538	0.3
175.03943	3.6
175.07552	3.6
185.06003	0.4
187.07553	1.1
188.04517	0.3
189.05499	18.5
190.05859	1.0
190.09885	1.8
191.03380	2.8
203.07068	22.3
204.07458	1.7
213.05476	0.8
217.05075	0.7
217.08755	2.2
218.09419	5.9
219.09799	0.4
222.09041	0.4
227.07091	0.6
231.06592	13.6
232.06912	0.9
245.08116	2.5
246.08937	100.0
247.09303	7.1
261.11285	15.8
261.14105	0.7
262.11652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0768
Annotation	Hibiscanal
Peak:m/z	Relative Intensity
55.01755	0.8
68.99031	0.5
68.99668	1.2
69.71450	0.6
71.44667	1.1
77.18746	0.5
79.05384	1.0
81.03328	1.1
83.01260	7.2
88.65603	0.6
95.64796	0.5
103.05402	3.0
107.04928	0.7
110.99896	0.5
111.00736	1.2
117.07011	1.0
125.09601	1.3
131.04919	1.6
131.08569	0.5
133.06490	0.9
137.02333	1.8
137.99486	1.6
139.00279	6.5
145.06506	1.6
147.04401	1.5
149.02354	1.1
151.00278	0.9
159.04404	0.9
161.06012	1.9
162.06804	5.2
163.00363	0.9
165.01852	2.0
166.02623	0.6
171.08076	0.8
173.05997	1.4
173.09624	0.7
173.53842	0.5
175.03929	16.2
187.03836	0.6
189.05499	16.3
190.06288	12.9
190.99850	1.0
191.03398	0.9
191.06798	0.9
194.05804	2.2
201.05504	0.8
203.03453	4.2
203.07137	1.1
208.61687	0.6
217.05011	2.2
217.08667	3.0
218.05800	61.7
219.06181	4.2
222.05325	0.9
227.07111	1.0
231.03040	0.8
231.06641	2.2
233.07993	0.7
244.07211	0.7
245.04599	0.7
245.05658	0.8
245.08168	12.0
246.05312	100.0
247.05684	7.6
261.07672	32.8
261.22287	1.7
262.08365	7.5
263.71002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0768
Annotation	Nigrolineabiphenyl A
Peak:m/z	Relative Intensity
67.16672	0.7
83.01247	5.5
85.73856	0.7
103.05420	1.8
107.04932	0.9
111.00746	0.9
117.06961	1.0
121.02953	0.7
131.04915	2.7
137.02296	0.9
137.99513	0.8
139.00237	5.6
139.87718	0.8
145.06485	1.8
147.00778	3.3
147.04362	2.1
159.04355	1.4
161.05974	1.7
162.06757	5.8
162.54784	0.7
173.05966	1.3
175.03923	15.5
176.04301	1.1
181.04990	3.1
187.07642	1.1
187.09662	1.0
189.05487	14.2
190.06284	12.0
194.05739	2.7
201.05435	0.8
201.09167	4.0
202.09871	7.0
203.03445	4.3
203.07091	0.9
205.08603	1.2
206.02087	0.9
217.05008	2.7
217.12300	4.9
218.05780	53.8
219.06110	3.2
231.02939	0.9
231.06606	1.2
234.43010	0.8
243.06497	0.8
245.08237	1.0
246.05293	100.0
246.08894	11.2
247.05605	6.8
247.09329	1.1
261.07657	36.2
261.11276	20.2
261.22171	2.7
262.07925	2.9
262.11630	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	259.061
Annotation	Khellin
Peak:m/z	Relative Intensity
51.69345	0.5
60.33023	0.5
65.00193	2.4
67.01790	0.6
69.42713	2.2
69.43133	1.5
73.08912	0.5
79.01750	1.1
79.05417	3.2
81.03336	2.5
91.05417	1.4
103.05408	0.7
104.94765	0.6
107.04898	9.3
115.05429	1.9
120.35519	0.6
128.06224	1.2
129.07014	1.1
131.04904	1.8
133.02840	10.9
141.07047	1.0
143.04922	0.8
143.08545	1.6
144.05716	1.1
145.02782	0.5
145.06505	1.7
149.02371	0.6
156.05721	1.4
157.06526	0.9
159.08047	2.6
161.02409	0.7
169.06526	1.2
171.04388	1.1
171.08057	4.6
172.05234	2.8
173.05931	3.5
174.03154	0.6
185.02394	0.7
185.05923	1.1
186.06734	1.0
187.07552	7.9
197.05998	4.4
198.06259	0.8
199.03929	8.9
200.04701	2.5
213.05588	0.6
215.07077	100.0
216.07422	8.7
259.06085	73.4
260.06415	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	259.0611
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
51.02244	0.9
53.98754	0.7
54.15935	0.7
59.01231	0.9
67.01752	6.1
67.58153	0.7
71.01189	0.8
73.31754	0.8
80.50911	0.6
82.10129	0.7
98.20586	1.1
105.03334	2.7
105.03979	0.7
105.68835	0.8
107.04919	0.9
115.05420	0.7
119.04930	0.7
129.06984	0.9
131.04890	0.9
143.08574	1.3
145.02826	0.7
147.04372	1.4
156.05684	2.2
157.06396	0.7
159.04398	1.3
161.89241	0.8
170.07314	5.0
171.08061	5.4
172.05232	2.8
173.05995	15.5
175.54633	0.7
185.06020	1.1
187.07579	1.8
188.04692	1.1
191.62691	0.7
199.03966	1.6
200.04695	3.6
213.05414	1.0
214.06281	0.7
215.07083	100.0
216.07428	7.0
231.06534	1.3
259.06113	33.7
259.09610	2.8
260.06516	2.3
277.92194	0.7
281.39584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74763	0.8
59.01250	18.6
69.03317	0.8
77.50408	0.8
78.95780	1.0
92.14467	0.9
93.98244	0.9
125.09707	1.3
127.11178	1.0
135.04385	1.1
137.09607	8.5
139.30762	1.0
145.02805	1.0
155.10678	100.0
156.11038	5.4
171.10176	24.4
171.11635	1.5
172.10475	1.1
181.08595	1.8
187.03951	1.1
199.09697	36.3
200.10028	1.8
215.12851	1.5
217.10760	97.1
218.11118	6.1
241.04987	1.1
244.03685	1.6
259.02667	1.7
259.06110	3.9
259.09402	1.4
259.11880	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	261.0767
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
52.13615	0.5
65.00206	1.6
65.03831	5.3
67.01760	11.3
69.03316	2.8
71.32797	0.9
71.33131	0.6
79.05402	44.8
80.05760	1.4
90.63754	0.5
91.05390	0.6
92.88828	0.5
93.03339	1.6
103.05434	1.8
105.06991	1.3
107.04909	6.4
109.02837	9.4
111.04405	24.5
112.04752	0.8
117.03316	1.2
121.02859	0.8
121.06496	0.7
125.09628	1.3
129.06992	3.7
131.04977	0.6
131.08563	15.5
132.08916	0.6
133.06474	3.9
134.03654	1.5
135.00757	0.5
137.02327	4.0
143.04881	0.7
145.02852	1.6
147.04372	0.9
147.08076	1.2
149.05998	2.8
149.09631	2.1
157.06499	5.2
158.07228	0.9
159.04472	1.3
161.02348	1.2
167.08795	0.6
171.08061	7.5
173.06044	1.0
173.09625	25.8
174.09950	1.6
175.03925	2.1
175.07576	2.4
189.05493	0.7
189.09128	6.5
199.07564	2.9
203.03455	1.0
217.08641	83.6
218.08989	7.1
233.08098	1.5
246.08931	0.7
261.07651	100.0
261.22171	1.8
262.07986	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	257.1755
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03305	1.6
58.22450	1.4
59.01249	2.3
60.49990	1.1
60.89409	1.0
61.98703	1.2
62.56248	1.0
69.68070	1.8
69.68475	4.4
74.02348	24.0
75.02672	3.1
75.42947	1.1
79.42116	1.0
83.21648	0.9
99.00726	1.1
115.07490	2.3
125.02325	1.3
157.06477	1.7
163.16872	1.0
167.14232	1.4
177.09134	1.1
195.13704	1.4
195.17398	1.6
197.15408	1.1
198.02959	1.5
199.03928	1.0
203.97232	1.7
211.16902	2.1
213.05510	12.6
213.14859	10.9
214.05814	2.2
221.15419	1.9
227.16513	1.6
237.40202	1.2
239.16464	7.3
251.37062	1.3
255.15961	6.2
257.04556	4.9
257.11755	2.8
257.17493	100.0
257.23807	5.6
258.17838	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
52.02829	0.7
59.01240	2.1
60.29656	0.5
64.58849	0.5
65.03339	0.6
71.02085	1.3
93.63526	0.5
109.83574	0.6
208.65388	0.7
222.50502	0.5
233.18994	0.9
234.52173	0.6
251.20137	100.0
252.20485	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	253.0923
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01749	2.2
57.03310	1.9
58.00451	3.5
59.01249	100.0
69.03367	1.2
69.40403	1.5
69.40804	5.8
71.01250	62.4
72.99194	5.1
73.02798	8.6
74.86936	1.1
83.01250	6.5
85.02820	12.9
87.00754	6.8
89.02314	56.6
91.03880	2.1
95.01243	5.5
97.02814	1.3
99.00755	2.4
101.02322	55.1
102.02657	1.8
103.02758	1.1
103.48682	1.0
113.02325	30.1
113.08313	1.0
119.03378	16.1
125.02316	1.3
131.03395	2.1
143.03371	5.2
161.04474	24.4
179.05481	9.9
180.46242	1.1
193.07156	1.1
229.64093	1.1
253.09253	67.6
254.09557	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
51.96874	9.2
59.01242	21.1
60.83960	10.3
63.92572	11.5
64.94036	12.5
66.88819	9.9
70.38388	13.5
70.38715	24.4
77.26529	10.3
89.02319	11.7
95.07751	11.2
101.02332	11.3
101.83739	9.8
125.72788	11.4
159.35675	11.2
253.09290	12.2
253.21671	100.0
254.22067	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	254.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
69.39946	2.8
71.01260	0.6
79.95602	46.6
80.96387	5.1
85.45541	0.4
89.02275	0.5
92.25718	0.4
95.01263	0.6
96.95846	0.5
116.04958	1.0
128.04950	5.3
130.06516	76.2
131.06859	4.7
146.06026	1.4
151.00244	1.0
172.03963	1.7
174.05518	19.0
175.05878	1.1
183.75429	0.5
190.88129	0.4
210.02245	100.0
211.02602	6.0
214.70212	0.4
224.84087	0.5
237.00301	1.3
253.21651	0.6
254.01266	40.1
255.01521	3.8
255.06587	0.7
255.12625	0.5
255.15924	0.6
255.23267	19.1
255.25969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0452
Annotation	Salsalate
Peak:m/z	Relative Intensity
63.12513	0.3
65.00217	0.7
70.54262	1.0
105.31641	0.5
108.37449	0.5
121.84545	0.4
137.38443	0.4
143.04962	0.5
145.02779	0.5
157.05324	0.7
157.06493	8.7
158.06847	0.7
159.04414	1.4
169.06506	0.5
170.03613	1.5
171.04266	0.7
171.68491	0.4
175.07538	0.5
183.04498	0.6
184.05267	0.4
185.05989	5.2
186.06212	0.5
198.03137	5.6
199.03532	0.6
203.07063	1.9
212.04724	4.3
213.05493	100.0
214.05835	8.8
228.47502	0.5
257.04517	32.3
258.04800	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	249.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98015	1.3
53.54577	1.5
57.03321	13.5
59.01236	4.1
61.38094	1.2
70.76873	1.4
71.53178	1.6
72.54684	1.2
73.02823	1.8
81.77618	1.3
83.01271	3.2
83.04906	1.5
92.83223	1.3
95.01257	2.4
97.06473	1.8
100.12750	1.3
101.02303	2.1
107.04926	1.8
108.02019	1.6
109.02827	3.5
111.04396	1.3
121.02898	2.5
121.06441	6.7
123.04420	3.3
125.02358	1.9
135.04430	1.7
135.08064	2.2
137.09593	6.3
145.06479	4.4
147.11646	2.0
149.05916	2.1
149.09634	3.0
149.76874	1.3
151.03899	1.8
157.06487	5.8
161.09628	4.4
163.07555	2.5
169.06610	1.3
173.09636	3.0
175.07617	2.0
177.09180	2.5
179.07106	2.0
179.10681	20.0
187.14862	3.9
189.12714	4.4
191.10652	6.8
197.09663	2.4
198.10416	2.0
205.08629	6.3
205.12286	2.7
205.15891	2.0
207.13797	1.9
213.12794	100.0
214.13124	9.8
215.10655	2.2
216.11412	3.0
219.02950	2.6
219.13853	3.5
220.14580	2.5
231.06628	1.5
231.10367	2.2
231.13875	42.8
232.14140	3.6
234.05257	3.1
249.07672	15.3
249.11166	4.9
249.14923	76.1
250.08043	1.9
250.14558	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	249.1493
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
51.19801	0.2
59.01238	0.4
59.33274	0.3
60.99162	0.3
61.98688	0.6
63.65481	0.3
65.71213	0.4
71.01248	0.3
71.32312	0.5
121.24429	0.3
149.06038	0.3
165.12892	0.4
167.81808	0.3
177.12724	0.7
187.14818	0.4
189.12733	0.4
203.14348	9.2
204.14694	0.6
205.15915	3.0
206.16209	0.4
231.13719	0.6
249.14917	100.0
250.15244	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	249.1493
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.50985	0.5
58.40121	0.5
59.01244	2.3
61.98687	0.9
67.37911	0.5
69.03322	0.8
70.72604	0.5
71.01237	0.6
71.11585	0.9
73.02785	0.7
79.05391	0.6
81.03339	0.6
85.02853	0.8
89.78181	0.5
95.04879	0.8
97.06443	0.7
107.04893	0.7
109.06535	0.5
121.06485	1.8
149.05907	0.6
177.05350	0.5
187.14836	2.0
189.12775	3.0
189.93007	0.6
201.12616	0.7
203.14346	18.2
204.14700	1.3
205.05086	0.8
205.12369	0.7
205.15929	13.0
206.16174	0.6
207.13829	1.4
219.13812	1.4
221.15317	0.6
231.13853	35.4
232.14182	2.9
234.05197	1.0
242.67848	0.6
249.07970	2.8
249.10895	2.5
249.14934	100.0
250.14888	12.5
252.08987	0.6
252.96693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1493
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
53.25428	0.5
55.01754	0.8
57.03306	0.8
59.01237	2.3
61.98681	1.1
65.00195	0.6
67.01763	1.0
71.01246	0.8
71.04880	0.6
79.05386	1.7
80.47061	0.5
81.03345	0.6
83.01253	1.6
83.04900	1.1
85.02839	1.1
87.41070	0.4
91.05418	0.6
93.03371	0.8
94.04112	11.9
95.04883	2.3
97.06474	1.0
98.19753	1.0
107.04895	4.2
108.02075	0.6
108.25037	0.6
108.76949	0.5
109.02843	1.2
109.06468	0.6
113.02340	0.6
118.13421	0.5
120.05640	0.6
121.06493	2.5
122.03475	0.5
123.08041	27.1
124.08369	1.2
125.02287	0.7
133.02792	0.6
133.06476	1.0
134.07272	5.6
135.04401	0.8
135.08055	2.9
137.02354	5.5
137.05980	0.7
137.09619	22.3
138.03098	1.0
138.09966	0.6
143.08606	0.7
147.04512	0.6
147.08034	1.0
149.02330	4.9
149.05914	0.6
150.02820	0.5
151.03981	0.6
161.02391	0.5
161.05946	1.4
163.00270	0.6
163.03928	1.4
163.11191	0.6
163.87527	0.5
166.02650	7.4
173.09613	1.7
175.00294	1.4
175.07565	2.8
176.08353	8.4
177.01855	0.6
177.05513	0.7
177.08781	0.5
179.03416	12.5
180.03720	0.6
182.64050	0.5
187.07594	1.4
188.08362	4.2
189.05551	3.3
189.12766	5.0
190.06267	1.9
190.13466	0.6
191.03416	31.0
191.07066	1.7
191.14349	1.4
192.03795	2.1
192.07721	1.0
193.12343	0.7
201.05612	0.9
201.12767	0.7
203.07079	2.1
204.07825	8.3
205.05080	0.6
205.08517	1.5
205.15912	83.8
206.09375	0.7
206.16267	8.9
207.10533	2.6
207.13831	17.4
208.07378	0.6
208.14151	1.6
213.12651	0.7
216.07883	4.1
217.08589	4.0
219.06609	4.9
219.10208	6.2
219.13828	7.5
220.14211	0.8
222.07793	0.6
231.10239	10.8
231.13872	1.1
232.10594	0.6
233.08160	1.7
234.05276	0.7
234.08992	3.4
237.14896	1.6
247.09644	2.0
249.11292	100.0
249.14919	80.8
250.11629	9.4
250.14973	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	249.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72006	0.4
54.18297	0.4
57.03319	0.8
59.01236	1.8
60.99147	0.5
61.98685	1.4
63.29805	0.4
63.62918	0.4
64.12668	0.4
64.53463	0.5
71.01247	0.8
71.04867	1.1
71.52560	0.8
74.48318	0.4
75.32454	0.6
82.18498	0.4
85.02860	0.5
105.14339	0.4
109.02847	0.5
121.06483	6.7
123.08042	0.7
135.08051	0.6
149.09561	0.8
163.11182	0.4
163.62625	0.5
171.11739	0.5
177.12842	0.5
177.96608	0.5
187.14848	4.4
188.15349	0.5
189.12854	0.6
203.14354	1.7
205.08636	0.7
205.15918	23.7
206.16235	1.7
231.13925	1.0
249.07703	1.5
249.14925	100.0
250.15091	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	249.113
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
54.17152	0.6
55.01754	0.5
61.95148	0.4
63.34872	0.4
67.01772	1.1
68.99667	0.5
71.23913	0.5
79.05405	3.5
83.01251	1.8
84.79568	0.4
91.05384	0.5
94.04105	2.0
95.01261	0.5
95.04881	0.8
97.02824	0.5
101.43643	0.5
102.03462	0.4
103.64158	0.5
105.06956	0.5
107.04903	6.1
108.02035	0.6
109.02797	1.2
109.91605	0.4
118.53716	0.4
120.05682	0.5
121.02860	0.8
123.08041	6.8
125.02349	1.2
129.07010	0.5
133.06425	0.5
134.07236	1.7
135.08008	0.7
136.01604	0.8
137.02348	5.8
137.09619	5.2
139.03925	0.4
141.87074	0.4
147.07999	0.4
149.02322	4.9
150.02570	0.4
151.03928	0.8
159.08017	0.6
161.02330	1.9
161.05928	1.1
166.02592	1.2
173.05966	1.3
173.09624	2.0
175.07538	3.8
176.08330	12.1
177.08661	1.0
179.03439	1.3
187.07568	1.6
188.08348	6.1
189.05496	4.2
189.08798	0.8
189.12759	1.4
190.06247	2.2
191.03395	4.4
191.07037	2.3
191.14429	0.4
201.05504	0.7
203.07072	4.4
204.07852	12.4
205.08305	1.8
205.15907	22.0
206.16187	2.2
207.13831	3.7
208.07367	0.7
208.14223	0.6
215.07130	0.8
216.07860	7.6
217.08659	5.6
219.06665	1.0
219.10201	8.9
219.13574	1.9
220.10573	1.0
231.10211	16.5
232.07362	1.0
232.10562	1.8
234.08891	3.8
247.09703	2.0
249.11261	100.0
249.14896	18.4
250.11583	9.3
250.14716	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	249.1128
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
50.86749	0.3
53.06051	0.3
59.01242	0.4
65.00144	0.4
70.44023	1.1
80.45021	0.3
83.01241	1.5
93.03350	0.4
95.01227	0.3
105.03336	0.7
107.96060	0.3
109.02774	0.6
109.06446	0.8
115.99411	0.3
121.02813	0.6
124.01523	1.1
131.01257	0.5
131.08572	0.3
133.06448	0.9
137.02336	5.5
138.03178	3.0
149.02341	4.2
151.03894	1.7
161.02426	0.3
163.00310	1.1
163.03911	2.1
165.09099	0.7
166.02618	16.1
167.02940	0.9
173.02351	0.5
173.09651	1.5
175.00266	2.9
175.07578	1.5
177.05492	0.9
179.03415	30.5
180.03728	2.3
191.03416	72.4
192.03775	5.2
192.07820	1.4
203.03484	0.4
205.05035	0.5
205.12256	1.0
207.10228	7.0
208.10561	0.5
218.05795	0.4
219.06573	11.5
220.06891	0.8
233.08102	2.5
234.08907	3.0
249.11287	100.0
250.11676	10.4
250.14453	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	249.113
Annotation	Illioliganone A
Peak:m/z	Relative Intensity
57.03325	0.5
59.01235	0.9
61.98692	0.5
62.07721	0.4
69.03340	0.4
69.15456	0.4
71.01263	0.5
72.99179	27.3
76.64836	0.4
93.03317	0.9
95.01268	0.8
106.04173	0.9
107.01257	0.4
107.04899	0.5
108.02046	1.1
109.02839	0.9
119.04919	1.0
120.05694	0.9
121.02827	1.8
122.03574	0.6
123.00764	0.7
123.04451	0.4
128.03432	0.4
132.05704	26.6
133.06039	2.0
134.03629	6.7
135.04440	0.5
145.06512	0.4
147.04416	13.2
147.05602	0.7
148.05212	6.9
149.05922	0.6
149.09689	0.4
150.02977	0.3
151.03886	0.5
152.01039	1.1
152.04730	0.6
160.05212	2.7
161.09644	2.2
162.03145	1.8
164.04701	18.3
165.05038	1.2
175.03906	0.8
175.11177	2.8
176.08339	0.5
177.01956	0.5
177.09096	2.4
180.04190	3.7
187.07713	0.7
187.11209	21.5
188.08315	1.2
188.11542	1.8
189.09178	0.9
197.70854	0.4
202.09889	0.9
203.10710	36.1
204.11044	3.7
205.08612	2.5
205.15993	0.6
217.08554	0.5
219.02992	0.4
221.07925	0.5
231.10222	38.4
232.10533	3.4
232.43250	0.5
234.05238	0.9
249.07739	3.4
249.11296	100.0
249.14891	4.4
250.07886	0.5
250.11639	10.1
250.14500	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	247.1337
Annotation	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
54.88209	1.0
57.03320	0.9
58.94150	0.9
59.01261	1.9
59.71955	1.1
65.00201	5.2
67.01749	1.5
70.44147	0.8
71.01251	4.7
71.52380	1.6
79.05402	5.1
84.77448	1.0
89.02327	1.5
90.96938	1.2
93.03335	13.5
99.66695	1.0
103.03909	1.5
105.06974	4.0
107.04932	4.3
109.06470	1.9
111.08044	1.4
121.02818	1.7
121.39411	0.9
131.08583	1.6
133.03127	1.1
133.06479	3.6
135.04459	1.0
135.08054	1.4
137.02252	1.1
145.06570	1.3
147.08096	1.7
148.05171	1.4
149.05928	1.5
149.09671	1.4
157.06633	1.3
161.02335	1.7
165.01801	1.4
171.08044	1.1
173.09595	3.2
175.07574	1.7
175.14920	1.3
177.09155	1.5
186.95555	2.0
189.09132	2.2
191.06998	1.4
199.07532	1.2
201.05568	1.3
203.03415	1.5
203.07039	2.9
203.14352	82.6
204.14713	8.1
215.07027	1.1
217.08659	10.9
218.05737	1.5
218.09019	1.6
219.06602	1.4
219.13763	5.1
221.15411	35.3
222.15784	3.2
232.03664	1.6
245.08142	2.9
247.02734	1.2
247.06206	5.9
247.09712	40.7
247.13365	100.0
247.17279	2.7
248.10138	3.5
248.13702	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.43493	0.2
69.82428	0.8
71.01245	0.4
100.95992	0.2
111.08059	0.2
137.10223	0.2
140.78125	0.2
145.44609	0.2
184.00182	0.3
205.15819	0.3
220.17043	0.3
231.13824	0.5
245.51483	0.2
247.17003	100.0
248.17340	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	247.0971
Annotation	Prenyl caffeate
Peak:m/z	Relative Intensity
52.77928	0.2
57.03308	0.3
59.01228	0.4
63.31818	0.2
65.00188	0.2
70.90984	0.3
70.91386	0.2
71.01250	0.7
81.29862	0.2
83.01278	0.2
87.04384	0.8
93.03298	0.2
95.04905	0.3
103.03901	0.5
107.04976	0.2
112.55475	0.2
117.03349	0.8
119.04994	0.3
121.02863	0.4
123.04429	0.4
133.02872	0.5
134.69653	0.2
147.08118	0.2
148.00471	0.4
148.01575	4.6
149.00952	0.3
149.02353	4.7
151.03938	2.1
161.02350	100.0
162.03090	13.2
163.00308	0.3
163.03430	0.9
173.05988	0.3
176.01067	0.4
176.04735	0.3
177.01765	0.4
187.10979	0.2
188.01064	1.6
189.01860	3.1
189.05492	0.5
190.02151	0.2
200.04678	0.2
203.07060	0.4
203.10741	0.3
204.07869	0.3
213.05466	0.5
214.06197	0.7
215.07082	1.0
217.04977	0.6
217.08575	0.2
219.06566	0.4
229.08539	0.4
229.12148	0.3
231.06529	0.3
232.07362	40.3
233.07698	3.4
247.09727	77.5
248.10057	8.0
248.13867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0815
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.39252	0.7
54.04720	0.7
55.81179	0.8
59.01228	0.9
61.98689	1.9
67.01759	3.9
87.00724	1.0
105.03343	1.7
113.26376	0.8
129.06984	1.2
143.08565	1.1
145.02846	1.1
145.06612	0.8
147.04407	1.2
156.05688	3.4
170.07294	1.6
171.04448	1.3
171.08058	5.8
172.05214	2.8
173.04597	1.2
173.05986	14.8
174.03096	1.6
174.06349	1.0
175.03908	1.2
185.04442	0.8
185.06039	1.1
187.03944	1.1
187.07552	2.4
189.05510	2.1
195.45964	0.9
199.03862	1.3
199.07553	1.6
200.04749	2.7
201.05615	3.9
201.09192	1.1
214.06310	1.0
215.07069	67.3
216.07436	7.1
217.08679	1.5
227.06993	1.9
228.04228	10.7
230.05840	1.5
243.06609	14.2
244.06894	1.6
245.08162	100.0
246.08502	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	247.0609
Annotation	Ancistroquinone C
Peak:m/z	Relative Intensity
57.03315	1.3
59.01232	2.2
63.02267	26.7
65.00191	20.9
67.01762	2.3
68.32737	0.8
68.99678	2.1
70.67880	0.8
71.01247	4.0
71.53310	1.2
77.19580	1.0
83.01244	1.6
93.03335	1.1
101.94298	1.1
103.03864	1.7
105.06972	2.7
107.04910	4.2
107.08543	1.2
109.06461	5.3
129.06979	6.8
131.04887	1.6
131.08548	10.0
132.08916	1.2
133.06485	45.2
134.06830	2.9
137.02362	7.7
147.08037	5.0
149.05945	7.5
151.07536	25.2
152.07887	2.0
157.06467	2.9
159.04367	3.0
160.05222	1.6
161.02296	1.6
163.07442	1.4
173.05905	1.0
175.03914	1.6
175.07552	29.2
176.01071	7.5
176.07895	1.7
177.01653	1.5
177.05464	2.4
191.07063	14.5
192.07339	1.2
203.10779	1.6
203.14296	1.5
219.06561	78.4
220.06921	6.5
237.07655	22.9
238.07909	2.2
247.06081	100.0
247.09932	3.0
247.13194	6.8
247.17072	1.4
248.06427	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	245.0816
Annotation	Torachrysone
Peak:m/z	Relative Intensity
56.76491	0.3
59.01234	0.6
61.98698	1.3
65.00191	1.2
65.03829	0.4
67.01744	0.5
69.20810	3.3
70.41896	0.3
71.01246	0.5
79.01776	0.9
79.05403	2.6
81.03336	0.6
91.05396	0.3
105.06955	0.4
107.04906	5.5
109.02847	0.8
115.05408	0.7
119.04927	0.4
128.06168	0.4
129.06985	1.3
131.04877	1.0
132.02014	0.4
133.02838	5.3
136.01549	0.5
137.02385	0.4
143.08598	0.6
143.72348	0.4
145.02881	0.4
145.06496	1.0
156.05713	1.2
157.06522	0.6
159.04425	0.6
159.08064	0.9
161.02327	0.6
162.03032	0.4
163.03894	1.4
169.06586	0.9
171.04419	0.7
171.08075	4.8
172.05193	1.3
173.05986	2.5
173.09663	0.8
174.03136	1.0
175.04015	0.3
183.08049	0.4
185.02408	0.4
185.05937	0.8
186.06741	0.5
187.07552	3.9
189.01857	0.7
189.09050	0.8
190.02605	3.3
197.06010	2.0
199.03900	2.5
199.07510	0.8
200.04684	1.2
201.05460	0.3
201.09148	1.1
212.04784	0.6
213.05515	0.5
215.03528	1.2
215.07068	32.3
216.07440	3.4
217.04912	1.0
217.08600	1.3
227.07059	1.0
229.04979	2.6
230.05757	4.0
243.06581	13.0
244.06970	1.3
245.08151	100.0
246.08519	11.3
246.11107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
59.01250	100.0
60.01571	1.2
61.98692	1.1
67.01750	1.1
69.59225	3.2
82.02865	1.1
92.14629	0.7
98.19844	1.5
99.92472	4.5
110.02380	4.1
111.00760	1.2
152.03526	1.3
181.12238	0.9
197.19099	1.6
200.05609	1.0
225.11353	1.1
243.02841	1.7
243.06642	3.9
243.12364	3.0
243.19627	38.3
244.06865	1.3
244.19949	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.27520	1.2
52.36427	1.3
59.01252	3.1
61.98696	2.4
63.92711	1.4
64.95126	9.0
65.99699	1.7
69.42942	8.5
70.14194	1.2
71.01241	3.4
71.04874	3.9
74.02348	1.5
79.95605	22.9
80.96394	9.0
83.04871	2.0
85.02828	1.8
95.93304	1.8
96.73097	1.4
97.02797	6.6
99.00759	23.9
105.71404	1.3
108.02110	1.3
109.06482	2.5
110.02365	3.7
110.03635	2.0
121.05108	1.5
125.09618	8.1
125.83755	1.4
129.09071	1.4
133.02823	1.7
135.08057	2.2
142.02618	1.5
143.90089	2.5
144.90846	7.2
147.05458	1.3
155.14275	1.6
157.20784	1.4
163.11174	10.8
181.12248	28.9
182.12538	2.1
197.11775	1.4
199.13322	23.8
200.05559	1.5
200.13660	1.7
207.10205	49.4
208.10501	4.7
225.11272	94.3
226.11584	7.4
242.98164	4.8
243.03029	1.7
243.06834	6.7
243.12332	100.0
244.12653	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	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03304	1.2
59.01239	1.8
61.98705	1.9
69.03320	0.8
71.04878	2.9
76.89639	0.7
82.02873	1.0
95.57693	0.6
96.95857	1.0
97.02848	3.6
97.06454	2.4
99.00751	16.3
107.88680	0.8
109.06506	1.2
110.02387	3.5
110.03666	0.7
123.08006	0.8
125.09618	5.2
132.78459	0.7
142.02588	1.5
155.14316	2.1
159.04480	1.2
160.04990	0.8
163.11230	5.8
181.12263	16.0
182.12663	1.1
199.13329	13.7
200.05588	1.1
200.13686	1.6
201.05579	1.1
207.10194	31.2
208.10571	3.2
216.08981	0.8
225.11269	67.2
226.11682	5.1
243.06833	7.7
243.12344	100.0
244.06918	1.0
244.12711	9.3
244.74017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.0
62.24749	0.7
64.19740	0.7
70.96803	1.5
79.95600	1.4
96.49799	0.7
96.95886	15.6
108.02077	1.2
116.04943	100.0
117.05261	5.5
141.62239	0.7
149.36478	0.7
151.03853	0.6
160.03947	84.7
161.04300	6.0
174.83452	0.7
180.05798	1.1
196.00664	12.9
196.02408	1.1
197.00972	0.8
222.98694	0.7
226.06299	0.9
235.21704	0.7
239.99678	50.3
240.12746	0.7
240.99869	3.5
241.14362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01238	2.5
66.03348	9.7
68.01285	3.8
70.85656	3.1
71.01255	2.4
82.02856	23.9
92.46864	1.7
96.04433	2.0
110.02356	100.0
111.01881	6.7
111.02686	3.7
122.02367	5.7
140.03444	13.5
144.95207	1.9
152.03433	22.9
153.02945	10.6
161.59299	1.6
200.05579	44.3
201.05850	3.1
219.76187	1.7
243.06229	35.0
243.15927	2.1
244.06529	2.9
258.08810	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89670	0.3
59.01245	0.7
60.47807	0.3
61.98714	0.3
63.58838	0.3
67.08578	0.3
71.05828	0.3
71.20099	0.3
71.23380	0.4
85.21608	0.3
92.88289	0.2
94.71250	0.2
94.71851	0.3
96.95931	0.3
111.04401	0.3
113.02384	0.3
124.08399	0.3
134.03624	1.0
135.04387	0.4
136.05200	0.8
148.05196	10.0
149.05684	0.6
149.09637	1.4
161.20055	0.3
162.06799	0.8
175.07512	0.5
176.08302	0.8
177.09125	43.7
178.09473	3.7
180.07802	0.3
190.09877	1.6
191.10666	0.8
191.14301	0.4
192.11484	33.0
192.14647	2.8
193.11865	3.6
201.09242	0.6
201.73167	0.4
203.07097	0.8
217.08609	3.3
218.09428	9.0
219.09840	0.9
224.10696	0.3
236.10492	100.0
237.10857	10.3
237.14890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57879	0.2
54.14076	0.2
56.55549	0.3
59.01250	7.5
59.96599	0.5
70.52087	0.5
70.52426	0.4
71.01270	0.3
71.63317	0.2
74.98945	13.5
75.96111	0.4
75.98873	0.4
76.55733	0.2
85.02824	0.4
87.00743	1.0
91.02084	10.3
92.02032	0.4
93.00008	5.0
149.00858	6.6
150.00912	0.4
161.04471	0.9
179.05547	4.4
206.99655	3.3
215.22479	0.3
221.04784	0.3
223.02783	100.0
224.02814	12.8
239.05853	0.7
239.16469	0.4
241.03871	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	235.1699
Annotation	Godotol A
Peak:m/z	Relative Intensity
59.01236	0.7
61.98687	0.5
68.93267	0.2
70.91199	0.5
89.01478	0.2
128.09465	0.2
151.18626	0.3
187.95517	0.3
191.07048	0.4
235.16978	100.0
236.17319	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	235.1699
Annotation	1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01254	2.0
61.98705	0.8
62.15153	0.3
71.01232	0.7
71.48113	0.4
73.02764	0.3
89.02282	0.3
98.19812	1.1
98.79526	0.3
118.29101	0.3
127.12404	0.3
132.68971	0.4
148.05196	0.4
191.07080	0.9
205.16008	0.5
235.06087	0.9
235.16992	100.0
236.17342	11.6
236.19759	0.3
242.66414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1335
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.41304	0.3
57.03322	3.6
59.01247	4.1
61.98697	1.5
67.13106	0.3
69.03320	0.9
71.00481	0.6
71.01236	1.1
71.04883	0.7
73.02840	0.4
81.03339	0.7
83.01242	0.5
83.04877	0.3
85.02830	0.4
95.04886	0.4
97.06464	1.3
99.04312	0.3
101.02312	0.6
107.04881	0.7
107.08515	0.4
109.02830	0.5
109.06465	0.5
113.02351	0.4
119.07164	0.3
121.06507	0.6
123.04411	1.7
123.08034	4.7
133.06506	0.4
134.03616	1.0
135.04424	0.5
136.05186	0.7
147.08069	0.4
148.04063	0.7
148.05208	9.7
149.06044	0.6
149.09616	2.6
149.13263	1.2
151.07553	0.5
151.11183	4.1
158.97356	0.3
161.02350	0.5
162.06630	0.4
173.05945	0.4
173.13254	0.8
175.07535	0.4
175.11159	1.1
176.08362	1.1
177.09123	44.2
189.12743	0.6
190.09918	1.8
191.07091	0.8
191.10747	4.7
191.14340	65.3
192.11485	32.6
192.14529	6.6
193.08653	0.9
201.09030	0.7
203.07019	0.8
207.13844	1.0
217.08649	3.3
217.12210	1.4
218.09409	9.7
235.02351	0.4
235.05991	1.4
235.09726	8.9
235.13367	10.9
235.15875	0.5
236.10498	100.0
239.00105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0945
Annotation	Polyprenyl phosphate
Peak:m/z	Relative Intensity
59.01253	14.5
67.01748	0.7
69.51370	2.1
71.01253	0.5
72.26868	0.4
78.95776	100.0
79.95573	0.4
85.02864	0.5
93.03321	3.6
95.29134	0.4
96.96841	71.5
111.04407	0.9
114.45037	0.4
123.76024	0.4
134.03584	0.6
140.54237	0.4
161.59081	0.5
173.04488	3.4
173.05898	0.7
177.01878	0.7
183.15633	0.5
189.05640	0.4
191.05655	0.4
233.04524	1.2
233.09479	49.6
233.15425	37.0
234.09760	3.9
234.15840	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20516	0.3
59.01248	3.7
59.93318	0.2
59.96590	0.6
60.97400	0.3
70.90773	0.6
74.98940	8.7
90.44015	0.4
91.02119	0.8
93.00006	4.0
93.03339	0.4
118.96140	0.9
134.99292	8.4
136.97244	2.8
143.05225	0.6
149.00861	72.8
150.00818	5.0
150.98775	0.8
159.08366	2.1
161.06317	3.8
173.04446	0.7
201.04025	0.5
215.05588	1.8
216.05919	0.4
217.07153	100.0
218.07292	11.5
233.10294	100.0
234.10439	12.5
234.15721	0.5
235.08289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0971
Annotation	Pyrenochaetic acid C
Peak:m/z	Relative Intensity
51.25793	0.6
53.78966	0.6
59.01247	8.5
61.88388	0.6
61.98706	3.3
71.01245	2.0
71.32599	1.1
73.02810	1.4
85.02810	1.4
93.03346	2.0
96.95881	1.1
101.02328	1.4
113.02310	0.8
121.02831	8.0
125.02209	0.8
133.02849	3.9
135.04398	1.2
139.00281	0.8
141.56956	0.7
148.05196	1.6
149.05948	0.9
150.75871	0.7
159.04358	1.0
159.08044	2.8
161.05983	2.0
165.01895	3.7
175.03929	1.1
175.07542	11.2
176.08342	27.1
177.01851	2.8
177.08728	2.1
179.03374	2.3
179.07030	0.8
191.07083	3.4
191.10699	19.2
191.14316	1.5
192.10983	1.7
203.07037	1.5
205.04958	2.5
207.13643	0.8
217.05008	1.3
219.06606	11.9
220.07352	100.0
221.07700	8.6
235.06357	4.2
235.09715	98.7
235.13484	4.0
236.10042	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	231.1022
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.64357	0.3
51.10564	0.3
53.79782	0.2
59.01243	0.7
65.03829	0.8
67.01739	0.3
69.36835	0.3
69.81365	1.2
79.05402	8.8
81.03323	8.3
83.04874	0.4
84.34562	0.3
91.05402	0.3
95.04907	0.7
103.05434	0.5
105.07002	1.5
107.04900	5.9
109.06456	0.4
119.04910	0.7
123.04413	4.4
125.05964	1.3
129.06946	0.4
131.04869	0.4
143.08557	0.4
144.05684	0.6
145.10158	2.3
147.08049	1.3
148.05185	0.6
149.05975	0.7
157.06525	1.4
157.10147	0.3
159.04420	0.5
159.11740	0.3
163.11182	0.8
169.10112	0.5
171.08031	2.4
172.08856	0.5
173.05968	0.4
175.03874	1.2
176.01080	0.4
176.04770	0.7
180.04245	0.3
185.09637	2.3
187.07562	0.9
187.11203	11.1
188.04683	0.5
188.08298	0.9
188.11578	1.2
189.09100	1.7
201.05501	0.5
202.06236	0.5
203.10728	5.6
204.11012	0.6
213.09111	1.2
215.07072	0.5
216.07819	0.5
231.10211	100.0
232.10555	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	229.0504
Annotation	Bis-noryangonin
Peak:m/z	Relative Intensity
50.58989	2.9
56.78400	2.2
59.01244	6.7
61.98692	2.8
65.00195	70.1
65.01295	5.1
65.99709	5.3
66.00516	3.5
67.01750	6.6
68.45422	2.7
68.99684	16.1
70.66853	6.1
71.01265	3.9
75.48995	2.7
79.05392	4.4
84.29523	2.8
87.04393	4.5
91.02843	2.4
91.05407	3.2
92.99680	4.1
95.01275	3.6
96.95876	2.5
103.05408	5.2
107.04908	12.2
120.99190	8.3
123.00834	3.4
127.05376	5.5
129.06987	31.8
129.09152	2.8
130.04131	3.2
130.07329	3.6
131.04919	4.2
133.03960	3.4
139.05362	5.3
142.01532	5.8
145.06459	3.7
146.03595	3.8
148.98714	18.5
149.99536	16.5
155.04933	9.4
157.05293	4.1
157.06497	36.2
158.03638	7.2
158.06882	5.1
159.04390	6.3
160.05048	4.2
163.27953	2.4
164.98180	3.5
170.03662	11.0
173.05991	16.3
174.03050	3.0
183.04430	11.7
185.02396	4.7
185.05952	8.0
186.03119	12.4
187.03891	4.9
199.04065	5.0
200.04652	6.0
201.05504	95.4
202.05843	10.4
211.03928	11.0
211.13307	4.7
214.02594	3.7
229.05011	100.0
229.08739	8.8
229.14342	17.0
230.05365	9.3
242.72697	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	230.1394
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
50.05126	0.4
59.01252	0.5
63.64777	0.4
64.65987	0.4
67.05396	0.6
71.04890	21.5
72.05229	0.8
82.49878	0.4
87.04398	0.8
99.04398	0.9
99.92448	1.4
101.05991	0.6
103.69653	0.4
114.09139	3.7
116.07043	1.2
130.08633	34.4
131.08978	1.8
138.86829	0.4
158.08133	0.7
168.13847	0.8
184.13300	0.8
186.14925	14.8
187.15248	1.0
194.70404	0.4
230.13937	100.0
231.06627	1.0
231.14249	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	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
65.00201	0.5
66.46629	0.3
79.36710	0.3
83.04905	0.7
90.95011	0.3
106.03961	0.3
111.08042	1.1
143.04872	0.4
156.13857	0.4
165.12759	19.3
166.13115	1.3
183.13823	100.0
184.14221	7.9
206.60938	0.4
209.11761	4.5
210.12054	0.5
227.03506	1.3
227.07117	0.5
227.12836	18.6
227.16441	0.9
227.20113	1.7
228.13156	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.49868	0.4
57.03306	0.6
61.19694	0.5
61.44894	0.4
61.98728	0.5
69.03303	0.5
70.54745	1.0
70.55110	1.0
71.04896	1.2
80.02554	2.0
81.03308	2.2
83.01237	0.6
83.04897	7.4
84.02037	4.2
95.04895	0.9
102.87614	0.5
111.08021	0.7
125.09623	0.5
135.08035	1.2
147.11691	0.6
163.11198	5.7
164.11472	0.7
165.12753	4.7
166.13049	0.5
181.12308	0.7
183.13864	0.9
191.10677	1.8
199.13254	0.6
209.11763	100.0
210.10081	0.6
210.12096	10.0
227.03273	0.7
227.07158	0.9
227.12794	3.6
227.20081	1.4
228.08830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03329	1.2
57.64310	0.6
59.01240	0.7
61.98687	0.7
65.01305	1.3
71.53313	0.7
78.14883	0.7
80.02544	2.1
81.03324	2.4
83.04894	6.2
84.02043	3.2
85.55377	0.7
89.99323	0.6
95.04926	1.6
95.34220	0.7
107.02399	0.7
109.06475	1.0
111.08022	0.9
119.02354	0.7
121.02670	0.6
125.00797	0.6
125.05975	1.1
125.09657	0.8
135.08107	0.8
139.11237	0.7
143.04945	0.9
146.03461	0.8
146.96838	0.7
157.05113	1.8
159.06650	0.8
163.11188	6.1
165.12776	4.3
167.99696	0.9
174.06714	0.7
181.12238	1.5
183.13834	3.0
185.08244	0.7
191.10674	2.1
201.07751	1.5
209.11763	100.0
210.12094	8.7
211.98724	1.5
227.01216	1.1
227.03537	1.2
227.07185	9.7
227.09286	1.7
227.12848	6.6
227.16466	1.1
227.20099	4.4
228.07179	1.2
228.12979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
53.00191	1.3
54.10286	0.9
57.03337	4.5
59.01248	1.3
61.98705	2.2
63.43460	0.9
69.03325	2.7
71.52685	1.1
81.03338	1.9
83.04900	5.7
85.02852	0.9
95.04905	5.8
96.05254	0.9
97.06464	25.0
98.06799	1.4
99.92470	1.9
107.04910	0.8
109.09055	1.0
111.04390	0.8
111.85143	0.9
116.86691	0.9
123.08051	1.4
125.97485	1.0
133.10110	2.9
135.08095	2.0
139.11195	1.1
149.09619	2.8
151.11188	100.0
152.11517	7.5
155.22830	1.0
156.66977	0.9
163.07596	1.1
165.09093	0.9
165.12723	2.6
165.50049	0.8
177.09138	1.0
181.08583	2.4
183.13875	9.3
191.07077	1.2
195.10194	13.0
196.10490	1.0
209.11752	7.2
213.11304	2.4
227.04858	21.9
227.07040	3.0
227.09137	1.8
227.12813	19.4
227.16481	3.3
227.20102	9.5
228.05110	1.2
228.13199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53643	0.1
52.71453	0.1
58.84939	0.2
59.01253	0.2
65.99720	0.1
68.99686	0.2
71.53049	0.2
76.88736	0.2
80.49465	0.2
80.96387	1.0
83.04878	0.3
91.01199	0.2
93.03320	0.6
95.04917	0.2
100.75835	0.2
101.02383	0.2
112.82256	0.2
116.04928	0.2
121.02838	0.5
121.06467	0.3
122.03208	0.3
123.08044	0.2
137.02357	0.2
138.03096	0.5
144.04457	100.0
145.04814	6.5
149.02344	0.5
149.05922	0.3
150.02655	1.2
164.04628	0.4
165.01874	0.6
165.05093	1.0
166.02528	0.6
180.03973	0.5
181.05002	1.1
181.08521	0.3
181.12288	0.2
194.01677	0.5
195.03023	0.3
195.06531	0.3
197.04713	0.2
207.05106	0.5
209.04060	0.7
210.05176	0.4
224.00188	17.5
224.06393	0.7
225.00500	1.4
225.04100	0.2
225.07588	0.7
225.11235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
57.03316	0.4
59.01258	2.3
61.98698	1.2
66.41899	0.4
69.03323	0.6
70.08781	1.6
71.01241	0.4
71.04865	0.4
73.02797	0.4
74.68678	0.4
81.03304	0.6
83.04889	1.0
85.02815	0.5
93.03316	1.0
95.04921	0.4
97.02827	11.1
97.06473	0.8
98.19844	0.4
99.00759	3.7
106.03957	0.4
106.25946	0.4
109.02839	0.5
109.06479	2.5
110.03605	3.9
111.04407	0.8
121.02773	0.5
123.04401	1.0
123.08002	0.5
125.09604	1.3
135.08052	2.0
136.05246	2.2
137.02325	1.2
137.09596	0.5
142.02628	6.6
145.10094	0.5
151.03925	0.6
151.07553	0.4
156.05525	0.6
161.09578	1.0
163.11185	12.7
164.11519	0.5
165.01778	1.2
167.03342	0.5
179.10648	1.2
181.04935	0.4
181.12260	32.7
181.81293	0.4
182.12576	3.3
189.09161	0.7
195.02966	1.6
197.11771	1.4
198.07913	0.5
199.06180	0.4
207.10201	70.0
208.10533	6.3
210.05269	1.2
225.11270	100.0
226.11621	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.4
57.03321	18.9
58.03642	1.6
59.01254	12.1
68.99675	2.6
69.18602	14.3
69.40848	1.5
71.01249	16.7
72.99191	5.3
73.02818	6.1
75.00749	6.3
83.01252	12.4
84.02048	2.7
85.02824	100.0
86.03178	2.9
87.00770	4.3
89.02299	1.4
91.03892	1.9
93.02062	1.3
93.03333	1.8
101.02322	13.2
103.03897	1.5
111.00764	47.2
119.06001	1.5
123.00759	1.7
129.01831	26.8
137.02370	2.5
147.02905	6.4
149.02339	3.2
151.03915	2.2
161.04471	1.5
164.04716	2.9
165.01897	3.5
187.26826	1.7
193.01338	10.1
205.03484	39.3
205.05367	2.3
206.03882	1.4
208.03653	7.7
223.02711	3.6
223.04463	29.5
223.06111	3.6
223.08176	2.7
223.13309	2.6
224.04842	1.9
241.08257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.73048	0.7
57.03315	1.6
59.01254	7.8
59.24253	0.8
61.98700	2.1
69.03321	7.9
70.90444	1.4
71.01247	1.9
71.04881	2.4
73.02826	1.4
74.98930	1.0
83.04873	1.4
85.02827	0.8
85.06461	1.4
93.00004	0.8
96.95878	1.3
101.02316	1.1
107.04926	0.9
107.97522	0.7
109.06465	1.1
123.07979	0.8
125.09624	1.7
137.09746	0.7
143.66977	0.7
149.00876	0.8
149.02397	0.8
149.09604	2.3
151.03909	1.4
151.11258	0.8
153.09128	1.9
161.13263	1.5
166.06248	1.1
167.10706	10.3
168.11105	0.9
177.12775	1.9
179.10712	4.7
179.14349	10.9
193.01363	1.6
195.13837	31.9
196.14180	2.5
205.12277	19.0
206.12599	2.9
208.03725	2.3
223.02708	4.6
223.06136	1.7
223.13348	100.0
224.02768	1.3
224.13667	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	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29594	0.2
59.01232	0.6
59.96585	0.6
61.38151	0.2
61.98698	1.2
69.03313	0.2
69.21298	0.8
69.21733	0.7
71.01254	0.3
73.00998	0.2
73.02813	0.5
74.49161	0.2
74.98943	16.0
75.96075	0.8
75.98879	0.3
85.02794	0.3
89.02297	0.2
93.00004	7.4
96.95884	1.4
97.06429	0.2
101.02308	0.4
101.31873	0.2
109.06469	0.2
111.08022	0.5
121.02863	0.2
149.00862	12.0
150.00862	0.9
150.98788	0.6
152.96701	0.2
179.14363	0.6
184.72037	0.2
193.01357	0.6
203.78026	0.2
206.99644	5.7
207.99684	0.6
208.03668	0.7
208.97516	0.2
223.02774	100.0
223.13303	1.8
224.02814	14.6
225.00781	0.3
241.03842	2.2
242.04013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88869	0.7
53.12606	0.6
55.74952	0.5
59.01250	100.0
60.01591	1.1
61.98707	2.2
65.00205	0.7
71.01252	1.2
73.02814	0.9
83.04911	1.6
92.88799	0.7
93.03334	4.8
98.14039	0.6
99.00751	0.9
103.14503	0.6
106.46674	0.7
111.04415	2.0
122.89288	3.1
127.03931	0.8
137.02292	3.0
144.00821	9.8
153.12724	0.7
155.03419	1.2
169.15923	1.2
171.01993	1.5
172.00369	0.7
186.89709	1.7
197.08073	0.8
197.11838	0.8
200.04678	0.6
215.00928	74.2
215.07230	3.4
215.09097	1.2
215.12785	3.6
215.14522	1.1
215.16457	18.5
215.87665	0.7
216.01266	6.9
216.16754	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03342	0.6
59.01250	1.1
61.98685	1.2
62.07492	0.5
65.01316	1.1
66.76082	0.5
81.65006	0.5
83.04906	0.9
87.00742	0.5
97.06462	0.7
98.20565	1.0
106.03953	0.6
120.89778	0.5
123.04471	0.7
144.05545	0.9
151.07510	0.6
151.11183	0.6
158.06882	0.5
169.12297	1.4
171.06651	0.7
172.06190	0.8
173.05670	0.5
176.98232	0.7
177.12901	0.6
181.88629	0.4
183.13829	30.9
184.14168	2.5
186.06612	0.6
187.06227	1.0
194.99316	1.0
195.13837	26.1
196.14117	2.3
209.66476	0.4
211.13304	0.8
213.05560	1.8
213.07706	1.3
213.11424	2.8
213.14912	100.0
214.07196	0.6
214.15257	10.7
229.53841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0708
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
57.03312	1.3
59.01247	1.5
61.98668	0.2
62.82057	0.3
65.01282	0.5
67.29906	0.2
71.01229	0.5
71.04912	0.3
71.53225	0.3
73.02818	0.4
82.03945	0.3
83.04913	0.4
85.02807	0.4
87.00745	1.4
89.02292	0.3
93.03324	1.5
93.90559	0.2
99.04329	0.3
102.75271	0.2
106.03991	0.4
111.04397	0.8
122.89294	1.5
125.02324	0.3
125.09603	1.0
127.07550	0.2
137.02325	1.0
144.00829	2.5
151.11185	0.9
153.12750	36.4
154.13089	2.9
155.03354	0.6
171.01833	0.4
171.13788	1.1
172.05211	3.3
173.04472	0.3
180.11703	0.3
186.89745	1.0
187.07512	0.5
197.11754	22.8
198.12102	2.2
200.03171	0.2
200.04712	26.4
201.05057	2.8
215.00984	17.3
215.07083	100.0
215.12805	76.6
216.01305	1.9
216.07399	10.3
216.13138	6.8
216.16574	0.3
228.57722	0.2
232.03712	12.8
233.04037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0708
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
57.03323	0.4
59.01259	2.2
61.98687	0.7
65.00189	1.6
67.01752	0.9
69.03333	0.3
69.79503	0.7
69.79907	1.0
71.01253	0.7
71.04881	1.2
73.02831	0.4
76.47039	0.3
79.01765	1.1
79.05403	4.0
80.51792	0.3
81.03320	1.9
83.04874	0.6
85.02797	0.4
89.02368	0.3
89.47723	0.3
91.05400	1.2
93.03335	2.1
99.00725	0.5
101.02364	0.3
103.05411	0.6
107.01283	0.7
107.04906	8.4
107.05630	0.5
111.04402	0.7
114.16508	0.3
115.05424	1.7
117.07005	0.6
122.89321	1.7
127.11140	0.8
128.06288	0.6
129.06982	1.4
130.04138	0.7
131.04929	0.8
132.02130	0.3
133.02853	7.9
133.73770	0.3
134.03154	0.5
137.02322	1.1
141.06966	0.7
141.12740	1.1
143.04915	0.4
143.08543	1.3
144.00813	3.6
144.05650	0.5
145.06522	1.7
148.01503	0.7
149.07210	0.3
155.03427	0.5
156.05685	1.2
157.06496	0.4
159.08057	1.3
160.01512	0.4
160.08417	0.3
161.02327	0.5
169.06544	1.2
169.15910	2.9
170.07292	0.4
171.04401	0.8
171.08072	4.1
172.05209	1.9
172.08423	0.3
173.06017	1.7
175.03833	0.4
185.02414	1.1
185.06033	0.6
186.03214	0.4
186.06892	0.4
186.89717	0.9
187.07590	6.0
188.01039	0.4
188.07924	0.7
197.06020	4.3
197.07884	0.5
197.11786	0.7
197.15384	0.4
199.03926	6.6
200.04675	1.6
213.05510	0.4
214.06262	0.3
215.00952	24.2
215.07085	100.0
215.16423	6.5
215.99419	0.4
216.01259	1.9
216.07413	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.81191	0.6
57.03326	1.1
57.54197	0.6
57.97083	0.7
59.01252	1.9
60.52953	0.6
60.53265	0.7
61.98690	1.8
65.01326	1.3
69.03325	1.0
69.34657	3.8
69.58150	0.6
71.01242	0.8
83.04876	0.8
85.02835	0.6
93.03319	0.7
97.06436	0.7
99.04377	0.7
103.02958	0.7
105.04503	0.8
106.04008	1.2
131.03447	0.7
132.05568	0.7
139.00420	0.9
139.03917	1.0
144.05547	0.7
146.03476	0.9
151.11183	13.9
152.11592	0.7
160.05069	1.2
169.12253	100.0
170.12611	7.6
171.06636	0.9
172.06241	1.4
176.98175	0.8
180.87424	0.8
183.13811	1.2
187.06146	2.4
187.44507	0.7
194.99226	1.5
195.10141	1.3
195.13803	0.9
213.05649	1.2
213.07620	1.6
213.11218	17.4
213.14809	7.8
213.18521	1.5
214.07341	1.6
214.11369	1.3
214.15083	1.0
219.88998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0243
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
59.01262	1.0
61.44889	0.5
63.02263	4.1
63.25035	0.5
65.00191	19.9
65.01320	1.3
66.00523	0.9
66.42268	0.4
71.53585	0.7
74.38731	0.5
74.45081	0.5
75.02505	0.5
83.01254	10.0
89.01355	0.6
95.01259	0.6
106.03965	0.5
107.01268	26.5
108.02131	1.1
111.07999	0.7
121.06509	0.9
123.04424	1.0
123.08027	1.9
125.02333	0.5
137.02367	1.0
139.03955	0.9
149.09625	0.7
151.00267	100.0
151.07532	1.7
152.00583	6.7
157.05095	0.7
158.03522	0.8
163.04022	0.6
165.05368	0.6
165.09157	1.2
167.03404	0.6
167.10721	0.7
169.01308	3.0
171.04289	0.5
172.03841	0.6
178.99774	5.1
180.99614	1.5
181.01303	1.1
181.04955	0.6
183.02934	1.0
183.13846	0.5
184.06311	0.8
185.04581	1.4
193.08572	0.7
196.01904	1.1
196.03644	1.2
211.02400	19.7
211.04353	1.0
211.06001	1.9
211.07732	1.4
211.09796	1.1
211.13300	4.7
212.02847	1.2
212.05734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.84815	0.3
59.01242	0.3
61.98685	0.5
62.83847	0.3
66.54038	0.4
69.03313	1.1
70.54018	0.7
72.55742	0.4
83.04895	0.6
85.89618	0.4
99.86965	0.4
104.12434	0.3
111.00735	0.4
141.86089	0.3
153.77213	0.3
155.10683	0.4
165.12775	0.7
167.10683	0.8
167.14311	2.0
183.12161	0.7
183.13818	14.9
184.14156	1.5
193.12267	5.0
211.13333	100.0
212.13670	10.8
229.28690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.4
59.68580	0.4
61.98698	0.7
69.03318	1.2
70.38871	1.0
70.41457	0.4
83.04888	0.9
91.35616	0.4
98.20454	0.5
137.02380	0.6
153.01875	0.4
153.05339	0.5
165.12791	0.6
167.10699	0.8
167.14360	1.1
181.01433	0.8
183.13840	15.0
184.14153	1.4
193.12263	5.0
196.03813	0.4
205.33397	0.4
211.13336	100.0
212.13699	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0551
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
57.03312	0.6
58.42065	0.2
59.01246	1.8
61.98699	0.4
65.00191	0.9
66.03316	0.3
69.03321	0.3
69.51065	1.6
71.01224	0.3
73.02793	0.2
81.03329	0.5
83.04862	0.4
85.02858	0.2
93.03353	0.3
97.02839	0.3
103.71769	0.3
105.03329	0.8
115.05426	0.2
117.03379	0.3
127.05412	0.3
129.06972	0.5
138.92964	0.3
141.12773	0.8
143.04924	0.7
145.02859	0.5
156.05707	0.3
157.06494	8.3
158.06804	0.7
159.04442	1.1
167.14401	0.3
169.06471	0.4
169.12244	0.5
169.15906	0.3
170.03641	1.6
175.07513	0.4
183.11188	0.3
183.13826	0.4
184.05251	0.5
185.06000	4.5
186.06398	0.4
194.99324	0.4
195.13786	0.7
198.03152	5.6
199.03456	0.7
203.07085	1.7
212.04666	3.5
213.05505	100.0
213.14899	4.8
213.18431	0.9
214.01530	0.3
214.05838	9.8
214.15233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.98606	0.4
51.88474	0.4
53.09694	0.4
57.03315	3.8
59.01250	100.0
60.01592	1.4
61.98694	2.5
69.03342	0.5
70.92999	1.0
71.01255	1.0
80.02543	0.9
81.03326	1.5
83.04897	1.1
85.02821	2.8
91.01747	0.5
93.03362	0.8
95.04921	0.6
96.95901	0.6
97.02913	0.6
97.06472	3.2
102.22732	0.4
108.02052	0.5
109.06450	3.8
112.86046	0.5
120.02022	0.6
121.02840	33.5
122.03187	1.5
123.04385	0.6
124.03936	1.3
125.02258	0.5
129.04453	0.4
135.04399	0.8
136.01576	0.7
137.02383	0.5
137.05974	1.5
149.09703	0.6
150.03050	0.5
156.05614	0.5
163.11205	0.8
164.04497	0.5
165.05550	1.0
165.12732	4.7
167.03438	0.7
179.03433	1.4
183.06673	1.5
191.10727	0.6
194.02168	0.8
194.05768	1.8
209.02762	0.5
209.04501	5.9
209.08244	1.7
209.11766	17.1
209.30756	0.4
209.94838	0.5
210.04875	0.5
210.12097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
59.01238	2.0
61.21214	0.4
61.98705	8.2
65.00185	0.5
66.88973	0.5
69.03319	0.4
71.01240	1.4
71.52617	0.6
78.92171	0.4
81.03345	0.8
83.01250	0.6
83.04898	1.5
85.02815	1.9
91.01781	1.2
92.99715	0.7
93.03348	0.5
94.02840	1.1
95.01246	1.1
95.04887	0.9
97.02827	0.7
97.06458	0.7
109.02837	1.1
118.94136	0.5
120.02032	0.6
121.02846	57.8
122.03143	3.2
123.04420	1.2
124.03947	2.7
132.24736	0.5
135.04442	1.2
136.01556	0.7
137.02336	1.1
137.05962	1.6
138.77333	0.4
139.03911	1.1
151.00198	0.7
151.03889	1.0
153.05431	0.5
161.02251	0.7
163.11166	0.5
165.05479	1.7
165.09065	1.0
165.12761	1.2
167.03362	0.7
179.03445	2.5
181.01341	0.6
181.04967	1.2
191.01843	0.6
191.10741	0.9
194.02155	1.7
194.05763	2.1
209.00934	0.8
209.04509	11.3
209.11769	100.0
209.15358	5.5
209.94777	2.3
210.04912	1.1
210.07948	0.5
210.12108	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.49739	0.7
52.51912	1.0
55.56907	0.7
57.03318	2.7
59.01252	9.2
61.98701	9.5
65.00189	0.8
68.99663	0.9
69.03323	14.4
71.01237	2.3
71.04883	1.8
71.53063	1.4
72.99181	0.8
81.03336	1.9
81.27927	0.8
82.46361	0.9
83.01269	1.0
83.04904	5.2
85.02821	4.8
87.00745	1.1
89.57346	0.8
91.01781	1.7
92.30228	0.7
93.03323	2.9
94.02825	1.7
95.01257	1.1
95.04900	3.0
96.95831	1.4
97.02843	1.5
97.06449	1.7
107.04848	1.0
109.02841	2.2
109.06450	2.2
110.06694	0.8
110.55030	0.8
111.08049	3.9
120.02085	1.0
121.02842	100.0
121.10107	1.5
122.03146	5.9
123.04415	2.2
124.03941	4.1
125.02351	1.4
135.04378	2.1
135.08076	1.5
136.01569	2.2
136.98645	0.9
137.02348	1.9
137.05984	3.4
137.09653	0.9
139.03839	1.0
139.07521	1.0
147.11700	2.2
151.03813	1.1
153.09113	4.1
156.05531	1.1
161.02380	1.7
163.11183	4.4
165.01790	1.5
165.05473	3.0
165.09103	3.0
165.12769	12.6
166.13158	1.1
167.03447	2.4
176.04637	0.9
178.99796	1.3
179.03410	3.3
180.06726	0.8
181.04984	1.4
181.12274	15.8
183.06641	1.6
190.99721	0.9
191.01848	0.9
191.03441	1.3
191.10690	12.9
192.11102	2.1
194.02161	3.4
194.05783	3.7
198.15358	0.8
209.01028	1.2
209.02718	1.5
209.04501	17.2
209.08160	5.5
209.11766	84.5
209.94894	2.5
210.04822	1.7
210.07806	1.9
210.12138	8.5
227.69247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76183	2.3
57.03326	10.6
59.01249	12.1
68.99695	2.5
69.44750	1.9
71.01248	28.6
71.07521	3.0
72.99165	5.4
75.00738	5.7
83.01271	2.3
84.02036	3.4
85.02820	100.0
86.03136	1.9
87.00721	3.0
89.02320	9.5
98.19847	1.8
111.00757	4.6
115.00204	2.9
121.02828	2.4
129.01831	10.1
133.01311	12.6
136.90089	2.0
187.91872	2.1
191.01817	11.1
209.02916	7.8
209.04593	4.8
209.07883	2.1
209.11630	2.2
211.12970	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	209.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.2
57.03329	11.0
57.63059	1.3
59.01255	15.1
62.24086	1.1
68.17226	1.2
68.99678	2.9
71.01253	32.6
71.52611	1.6
72.99186	8.7
75.00752	9.1
81.03345	2.2
83.01262	6.3
84.02039	2.9
85.02826	100.0
86.03147	1.9
87.00751	3.6
89.02317	9.5
93.03304	1.4
93.37920	1.2
94.02851	1.6
95.01213	1.4
95.04935	1.5
97.02768	1.6
97.21839	1.0
101.02337	1.4
108.02097	1.1
109.02859	1.9
111.00754	8.0
113.03428	1.2
114.03719	1.2
115.00252	2.2
121.02851	21.9
123.00820	1.3
123.04426	2.4
124.03946	2.7
125.02313	1.7
129.01843	9.7
133.01340	11.7
135.04474	1.6
137.02339	2.1
137.06003	2.9
147.02933	6.3
150.03059	1.5
151.03915	2.3
161.02380	1.5
165.01762	1.5
165.05539	1.7
165.09171	1.7
166.02556	1.5
167.03404	1.7
173.00801	2.6
179.03441	4.2
191.01889	23.1
191.03596	1.9
194.02122	2.8
194.05792	3.2
209.02933	23.0
209.04565	11.2
209.08160	4.2
209.11710	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0296
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01758	2.3
57.03323	12.2
58.00473	0.8
58.99463	1.0
59.01248	17.4
60.01610	0.5
68.99693	2.6
69.71545	2.4
71.01252	32.4
72.01565	0.5
72.99176	8.5
73.02811	1.4
74.98962	0.6
75.00746	5.9
79.03394	0.4
83.01258	3.0
84.02053	2.6
85.02821	100.0
86.03144	3.3
87.00765	3.8
89.02315	10.5
91.66350	0.4
98.20525	0.7
99.00720	0.9
101.02328	1.6
103.00243	2.6
111.00758	6.3
112.98727	0.4
115.00263	3.2
120.30170	0.4
121.02882	1.3
129.01823	8.2
133.01332	9.7
133.02286	0.4
137.02296	0.5
142.99773	2.5
147.02885	3.7
173.00853	2.7
191.01894	20.0
192.02242	1.0
209.02956	18.4
209.06313	0.8
210.03294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02837	0.1
59.01250	0.2
68.52617	0.1
69.82296	0.5
71.01247	0.3
72.99213	0.1
85.02813	0.2
98.19817	0.1
115.00252	0.1
133.02794	0.1
135.04468	0.1
149.09578	0.2
161.02322	0.1
161.05989	0.3
162.89197	0.2
164.07059	0.1
177.05563	0.2
187.03914	0.1
189.12773	1.9
190.13083	0.2
203.89053	0.1
205.01401	0.3
205.05125	0.8
205.15918	100.0
206.04582	0.1
206.16255	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02851	42.6
59.03225	0.7
69.61449	2.1
69.61864	1.0
70.02856	14.8
72.00787	8.0
76.33879	0.6
78.82854	0.7
83.58112	0.5
91.05410	10.6
113.69919	0.6
119.04906	0.7
135.04439	2.6
147.04427	44.1
148.04808	2.2
149.78902	0.6
162.09258	1.2
164.07089	100.0
165.07428	6.8
177.01907	2.1
192.04166	1.6
206.08160	28.9
207.06674	1.2
207.08530	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	207.0657
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.66933	0.3
58.02848	0.3
59.01243	1.9
61.98670	1.0
73.00893	0.3
74.20547	0.3
74.45933	0.3
75.00735	0.5
91.01718	0.5
93.03299	0.5
93.45345	0.3
95.04869	0.9
96.95876	0.9
105.03336	4.9
107.04892	0.6
108.02015	0.3
109.02817	0.4
109.06445	0.3
121.02809	1.0
121.06421	0.4
123.04395	1.0
133.02849	32.7
134.03181	2.3
135.04382	1.1
135.08044	0.4
137.02338	0.4
147.04391	0.5
149.02351	3.3
151.03889	1.0
163.00264	0.8
163.03899	1.1
163.07545	0.9
163.11194	0.6
164.00998	0.4
164.04657	2.8
164.89532	0.5
177.01846	17.0
178.02185	1.2
178.04732	0.3
179.03479	0.6
179.07063	0.6
181.05040	0.6
189.05510	0.4
192.04202	100.0
193.04538	7.4
199.84203	0.3
207.03094	1.9
207.06580	18.3
207.10014	1.6
207.13863	3.6
208.07018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88551	1.0
51.74110	1.0
59.01251	100.0
60.01593	1.3
63.81313	1.2
65.01290	1.7
69.03333	4.3
69.48578	4.7
69.49004	4.1
71.01255	4.8
72.99151	2.2
73.02815	1.4
82.59297	1.1
84.00359	1.5
85.03397	1.2
93.03835	1.2
95.01247	1.6
97.02856	4.6
99.08040	3.9
103.59236	1.1
131.04947	2.8
134.03557	1.7
141.01820	2.1
143.07048	4.7
158.06046	1.3
159.04347	2.8
160.01396	1.3
160.03929	1.6
161.04552	1.4
176.04521	1.7
185.04494	1.1
187.41852	1.5
187.70073	1.2
188.04659	3.4
203.01877	3.9
203.03514	2.5
203.07091	3.5
204.06604	1.6
205.88606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20361	0.7
59.01251	100.0
60.01580	1.8
65.99722	1.5
69.03316	2.6
69.86872	1.7
69.87283	2.7
70.00783	0.7
71.01257	2.3
72.99176	1.4
72.99653	0.7
75.00735	1.0
75.21033	0.7
85.02799	1.0
87.00739	0.8
94.02867	1.0
97.02831	1.6
98.37056	0.8
99.08057	4.2
114.16796	0.9
116.04996	1.4
122.53311	0.9
131.04893	1.0
134.03485	1.2
136.91780	0.8
143.07080	4.3
149.03488	1.0
158.06071	1.7
159.04405	1.8
161.05849	0.9
175.03870	1.1
176.04541	1.7
188.04608	1.4
203.01851	1.9
203.03435	2.9
203.05341	1.7
203.07065	2.9
203.10802	1.0
204.06650	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	203.019
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02242	1.2
57.03309	3.9
59.01245	4.2
60.99168	2.9
68.99658	1.4
69.03322	76.9
70.02840	1.1
70.03654	1.4
70.08252	4.2
71.01253	53.7
72.01591	1.8
72.66039	1.1
72.92622	1.1
72.99179	11.0
73.02806	2.5
74.02326	2.8
75.00750	7.2
77.50606	1.3
79.01756	9.6
83.01247	2.7
85.02826	10.3
87.00745	16.1
88.03910	2.7
95.01263	9.7
97.02827	98.4
98.03174	5.0
99.00741	5.1
100.98715	1.8
105.01811	3.4
111.00760	4.6
112.67961	1.2
112.98650	1.5
113.02307	4.1
113.03454	1.4
114.01868	3.2
115.00241	12.5
115.03882	2.3
123.00763	5.9
129.01826	5.4
131.04517	4.6
141.01822	22.5
142.02136	1.4
145.01306	2.7
148.46686	1.2
159.02917	2.9
160.03935	2.2
160.74112	1.2
171.13156	1.3
174.01723	1.4
203.01901	100.0
204.02335	8.2
204.08705	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	203.0819
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
52.25608	0.9
54.79564	0.8
59.01234	1.8
63.69892	0.8
65.25056	0.8
69.09914	0.8
70.81439	1.5
70.81760	0.9
72.00774	24.7
73.01086	0.8
74.01923	1.9
74.02341	32.9
94.49715	0.9
99.34603	0.8
116.04942	100.0
117.05271	6.3
130.06508	3.2
142.06523	25.7
143.06862	2.7
159.09161	19.0
161.04726	1.0
186.05502	3.0
203.03523	1.7
203.08206	57.6
204.08565	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03326	1.1
59.01241	1.6
61.98701	0.5
65.01312	1.5
65.99708	0.5
68.61146	0.3
69.03340	0.5
71.01241	1.2
71.04896	1.8
72.99187	0.5
73.02805	0.8
76.32353	0.4
83.01253	0.7
83.04882	0.9
85.02829	2.4
87.00760	0.4
87.28089	0.4
89.01308	0.5
91.02877	0.4
92.14194	0.4
92.99695	0.3
93.03317	0.4
95.04920	0.8
97.02806	0.5
97.06482	0.3
98.20565	0.9
99.00745	1.8
99.04379	1.0
99.05008	0.3
99.08027	1.0
101.24847	0.3
106.04031	0.5
109.02830	0.7
111.00787	0.6
111.04424	0.5
111.08054	0.4
113.02308	1.5
115.88161	0.3
125.02343	0.7
125.09605	1.7
127.00193	0.4
127.03894	1.3
127.11191	3.8
129.04434	0.3
129.97025	0.4
130.03990	1.1
131.03542	0.7
137.05995	0.7
137.09604	1.0
139.03911	1.1
145.04012	0.5
145.05058	0.5
153.12749	1.5
155.07047	0.8
155.10681	4.4
155.14320	0.9
156.89389	0.6
157.05093	1.1
158.03496	0.6
162.83791	0.6
163.11188	0.7
164.83507	0.8
169.12280	0.8
171.06561	0.5
171.10176	0.5
172.05061	1.6
173.04610	1.1
181.05019	0.6
181.12276	1.1
197.11790	1.8
199.06136	4.6
199.13324	100.0
199.16992	2.7
199.80289	0.4
200.05754	1.0
200.13669	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	197.045
Annotation	2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
59.01258	0.5
63.02227	0.4
63.93871	0.3
65.00190	0.8
65.01304	0.4
67.01765	0.8
68.99683	0.3
69.03309	0.4
71.04909	0.3
71.39523	0.4
73.09135	0.3
83.01254	0.5
89.00199	2.0
91.01749	0.8
95.01260	15.4
95.96179	0.3
96.01597	0.9
97.02819	1.1
103.63326	0.3
106.00512	1.6
109.02833	0.9
110.00052	0.3
111.00761	1.1
111.04395	0.4
112.03970	0.4
121.02838	15.6
122.03165	0.6
123.00764	65.1
124.01099	3.8
125.02341	0.7
127.00261	0.5
136.98735	0.4
137.02330	1.0
137.99475	1.1
138.03117	15.9
139.00316	1.7
139.03477	0.9
153.01868	0.8
153.05475	15.3
153.09114	0.6
153.12746	0.3
154.05797	0.8
157.05061	0.5
165.01791	0.3
166.99767	41.5
168.00108	3.1
169.01297	0.3
171.06720	0.3
179.03316	0.5
181.01326	1.3
182.02119	100.0
183.02477	6.8
197.04485	27.7
197.08224	0.9
197.11714	1.6
198.04828	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.32908	0.3
55.01749	0.6
59.01239	0.3
61.98702	0.7
69.03336	0.9
71.04891	1.5
71.43965	0.5
83.04913	0.8
91.37797	0.3
95.01273	1.2
95.04884	0.6
97.02808	0.5
97.06464	17.5
98.06810	0.7
99.08032	5.3
108.38533	0.3
109.06480	0.5
111.04431	0.4
111.08039	0.5
121.02855	1.1
122.03616	2.6
123.00790	4.2
123.04430	0.6
123.08052	0.4
125.02320	0.6
125.09651	0.8
126.03098	0.9
126.90354	0.5
135.08035	0.3
137.09636	2.0
138.03134	1.6
151.11205	1.1
153.01865	0.3
153.05493	1.0
153.12759	100.0
154.11830	0.4
154.13103	8.8
160.84123	1.3
162.83839	4.2
166.99785	3.1
171.06664	0.3
179.10699	21.3
180.11055	2.3
182.02129	6.3
183.02531	0.5
197.04471	2.2
197.06140	0.4
197.08154	0.9
197.11777	6.6
197.15404	0.3
197.80794	2.3
198.12112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.17106	1.0
59.01237	3.1
61.98682	1.9
65.01318	2.5
69.03310	3.0
71.01223	0.9
71.84182	0.8
72.99173	1.0
81.03320	1.1
83.01254	1.0
83.04886	2.8
85.02837	0.9
85.25509	0.8
91.01764	1.2
91.77780	0.8
93.03313	1.4
95.01258	8.6
95.04912	1.3
96.78554	0.8
98.02402	1.0
102.78062	0.9
105.04438	1.0
109.02861	1.9
109.06459	1.2
111.00758	1.3
111.07954	0.9
112.01575	1.3
112.03954	0.8
116.02489	0.8
116.92760	1.1
117.41280	0.7
121.02819	9.5
123.00765	35.4
123.04379	0.9
124.01091	1.5
125.02324	2.6
125.09614	0.9
126.90394	1.9
130.03970	1.3
135.04405	1.2
137.02316	1.6
138.03117	8.5
141.09099	1.6
144.05521	1.6
153.01826	2.3
153.05481	6.8
153.09096	5.0
153.12753	7.7
155.03482	1.6
156.05605	1.4
157.05031	2.2
160.84077	4.8
162.83818	13.9
166.99770	24.1
168.00146	1.2
169.12257	17.1
170.12579	2.0
171.06683	3.6
178.99800	1.7
179.03401	2.3
179.10751	2.5
181.01247	1.5
182.02127	43.2
182.05711	1.2
183.02457	3.7
197.04475	14.9
197.06017	2.7
197.08076	5.4
197.11761	100.0
197.80728	7.8
198.04070	1.0
198.07841	2.9
198.12106	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	193.05
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
59.01247	1.2
68.99725	0.3
69.03301	0.4
71.01257	2.0
71.02337	0.7
73.02809	1.2
75.87270	0.3
79.01756	0.3
83.01255	0.7
85.02818	1.6
87.00764	0.5
93.03330	1.5
95.01225	0.5
97.02812	0.7
99.00773	1.2
101.02319	1.8
106.04100	0.9
107.74136	0.3
108.02029	0.4
109.02838	0.5
111.00737	1.0
117.03333	0.4
121.02832	3.5
123.00844	0.4
123.04438	0.3
123.05480	0.3
125.02276	0.4
133.02846	19.5
134.03650	20.4
135.03961	1.0
136.01534	0.6
137.02344	19.2
137.05934	0.3
138.02693	1.0
139.03915	6.2
140.04221	0.5
149.02347	1.1
149.05983	1.6
150.03101	1.9
161.02354	30.5
161.04497	1.6
162.02652	2.1
163.03897	0.5
165.01843	0.9
178.02638	8.6
179.03035	0.6
193.04987	100.0
194.05325	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	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01758	0.2
59.01233	0.4
61.52311	0.1
61.98709	1.2
65.00233	0.2
66.03348	0.3
71.01244	0.4
71.52460	0.2
72.74249	0.2
73.02828	0.2
79.01768	0.2
83.04875	0.3
85.02801	0.1
93.03302	0.2
94.04111	0.2
95.01260	0.2
95.04880	0.3
99.08007	0.2
101.02305	0.2
102.79299	0.1
103.91885	0.2
107.04913	0.2
107.57854	0.1
108.02049	0.2
109.02847	0.4
109.06471	4.4
110.06843	0.2
111.08041	3.5
111.44756	0.1
112.08325	0.3
121.02859	0.8
122.03606	0.8
123.00803	0.4
123.04408	0.8
123.08028	0.2
124.01494	0.2
125.02344	0.3
125.09628	0.9
128.32977	0.2
130.44058	0.1
133.06436	0.2
134.03616	0.2
135.04361	0.2
135.07036	0.2
135.11678	0.5
136.05202	0.2
137.02312	0.5
137.05952	0.2
138.03035	0.2
138.06758	0.5
139.07578	0.2
149.05963	0.2
150.03104	1.1
151.03918	0.8
151.07529	0.5
151.11191	0.5
152.91597	0.3
153.05437	0.2
153.92236	0.1
155.07082	0.2
160.84117	3.5
165.01805	0.8
165.05489	0.6
165.12799	0.3
167.14331	6.8
168.14671	0.6
177.05568	0.2
179.10695	4.9
180.04228	1.7
180.11227	0.6
181.04601	0.2
183.13857	0.2
194.91759	0.3
195.02980	0.8
195.06693	1.9
195.13834	100.0
195.81018	1.0
196.14174	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	193.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
55.31585	0.3
56.55873	0.3
57.03326	0.3
59.01254	2.6
65.00179	0.3
65.99716	0.4
68.01289	0.3
68.99695	0.4
69.03327	1.2
70.91621	0.7
71.01252	4.4
72.66735	0.3
72.99182	0.5
73.02827	1.8
81.03318	0.5
81.04466	0.3
82.03999	0.4
83.01269	1.1
85.02820	3.1
85.99986	0.5
87.00743	1.8
89.02316	0.6
92.49378	0.3
93.03345	1.8
95.01275	1.0
95.02368	0.3
97.02839	1.0
97.03950	0.4
99.00761	2.0
101.02325	3.5
106.04128	1.9
107.02417	0.3
108.02039	0.6
108.04500	0.5
109.02850	1.2
109.03964	0.4
111.00780	1.3
113.02338	0.8
117.03358	0.7
121.02841	4.1
123.00778	0.4
123.04391	0.9
123.05574	0.3
125.02326	0.7
131.04990	0.3
133.02863	7.1
134.03632	100.0
135.03947	7.4
136.05096	0.6
137.02341	19.4
137.05995	0.4
138.02727	1.0
139.03914	6.7
141.01833	0.6
145.02922	0.7
149.02353	2.1
149.05986	18.4
149.09618	0.6
150.03111	3.6
150.06369	1.3
155.03397	0.4
155.24202	0.4
158.76334	0.3
161.04454	3.3
165.00090	0.4
165.01889	0.8
165.05521	0.6
165.09073	0.4
166.06163	0.5
173.79189	0.4
175.06085	0.4
175.07579	0.4
178.02632	57.0
179.02995	4.6
192.99588	0.9
193.01341	2.1
193.04996	22.3
193.07030	2.4
193.08707	1.5
194.05353	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	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03320	1.1
59.01252	1.5
62.97029	0.2
65.01336	0.2
65.99715	0.2
67.01757	0.6
69.03333	0.3
71.01242	0.8
73.02815	0.3
81.03310	0.3
83.01268	0.3
83.04911	0.2
85.02821	11.1
86.03157	0.5
87.00748	8.6
87.39503	0.2
93.03350	2.0
96.96610	0.2
99.00797	0.2
101.02313	0.2
104.02567	0.5
106.03945	0.2
108.02075	0.2
109.02842	0.6
111.00761	14.2
111.04395	0.5
112.01083	0.7
119.04897	1.7
121.02841	100.0
122.03175	5.8
126.51759	0.2
127.03905	1.3
129.01851	0.8
131.03441	0.3
131.98341	0.2
135.04419	0.4
147.00783	0.3
147.04420	7.1
148.01529	0.3
148.04897	0.6
149.08350	0.2
154.99840	0.2
163.00133	0.3
163.04007	0.9
164.04486	0.3
166.67152	0.2
171.02840	0.4
173.04437	0.4
176.01062	2.9
177.01767	0.2
191.01881	1.0
191.03474	8.4
191.05542	24.2
191.06836	1.0
191.10760	0.5
191.14455	0.2
192.03780	0.7
192.05923	1.5
193.87544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
50.55662	0.3
55.01768	0.3
57.03318	6.4
59.01249	7.4
60.99169	0.4
67.01763	3.0
69.03329	0.5
70.08493	0.9
71.01250	3.7
71.64130	0.3
72.99179	0.6
73.02810	1.4
75.00756	0.4
79.55064	0.3
80.22684	0.3
81.03329	1.4
83.01261	0.8
83.04887	1.2
85.02818	52.4
86.03144	1.6
86.64907	0.3
87.00746	36.0
88.01092	0.7
93.03330	9.2
94.03678	0.5
95.01225	0.3
96.95913	0.5
99.00731	0.4
99.04383	1.3
101.02312	0.9
109.02855	2.2
111.00758	58.8
111.04368	2.0
112.01118	2.3
112.98672	1.2
113.02352	0.6
127.03904	5.4
129.01842	3.1
129.05547	0.3
130.99719	0.5
137.02338	0.7
140.98647	0.3
147.02776	0.4
154.99706	0.5
156.76765	0.3
171.02856	1.1
173.00821	0.9
173.04480	1.9
191.01964	5.9
191.05527	100.0
192.05873	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0968
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01751	1.9
57.03303	0.9
59.01229	1.0
65.01315	2.8
65.99712	1.8
66.00832	0.5
68.01279	0.6
69.03316	1.4
71.01252	10.2
71.11697	0.6
71.12009	0.9
72.99178	12.6
83.04875	0.8
87.00754	2.0
91.02880	0.6
92.02433	0.7
93.03320	0.7
97.06466	100.0
98.06795	5.4
99.00752	15.0
99.62863	0.5
104.02478	0.6
104.11616	0.5
105.06983	0.6
106.03951	0.5
107.08555	6.4
108.33675	0.6
115.03878	0.7
117.01825	1.0
118.04050	0.9
119.02405	1.6
119.04945	0.6
120.05620	0.6
123.08041	30.6
124.08389	1.6
125.09613	16.2
126.09986	0.7
130.04016	1.5
130.61420	0.6
132.05609	0.8
133.03954	2.2
133.06102	0.7
134.03551	0.6
141.09091	2.1
145.05074	1.4
146.03476	0.9
151.07541	22.3
151.08752	1.2
152.07852	1.4
159.04424	0.7
160.05080	4.0
167.07050	2.4
169.05124	0.5
169.08591	5.8
170.08990	0.6
187.04024	1.3
187.06142	4.8
187.09676	69.1
188.03265	0.8
188.10039	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	187.0968
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
54.73716	0.2
57.03326	3.7
59.01244	0.5
59.51825	0.2
65.01321	1.1
65.99712	0.7
66.00829	0.3
66.90831	0.2
69.03324	0.6
69.60900	0.2
71.04899	0.4
73.02830	0.2
77.01335	0.2
83.04889	0.8
91.02898	0.6
92.01326	0.2
95.04877	1.1
97.06466	11.9
97.40603	0.2
98.06784	0.6
105.04408	0.3
106.03994	0.4
107.02422	0.3
116.02435	0.2
118.03992	0.6
119.02393	0.5
119.81727	0.2
121.05100	0.2
123.08051	7.0
124.08392	0.5
125.09608	100.0
126.09942	6.8
130.04039	0.3
132.05528	0.4
133.03966	1.3
134.03456	0.3
143.10658	2.1
144.04359	0.4
145.03979	0.3
145.05099	0.7
146.03531	0.5
147.04276	0.5
159.04337	0.4
160.05075	2.1
161.04562	0.4
169.08598	2.7
187.06201	2.4
187.09676	39.3
188.10014	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0292
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
57.03322	1.7
58.21591	0.8
59.01253	2.2
59.80760	0.8
63.02264	2.3
65.00192	18.4
65.01318	1.2
68.37591	0.7
69.03333	1.4
69.24023	7.3
70.92728	0.7
71.01278	1.1
72.99164	1.6
74.55278	0.7
75.77370	0.8
81.03315	0.9
83.01249	1.1
83.04916	1.2
85.02827	0.9
89.00208	6.3
89.01308	1.2
90.00883	1.1
91.01774	3.1
93.03341	1.1
95.01239	1.0
95.04921	1.9
97.02824	12.2
97.06456	1.2
98.02312	1.3
99.00705	0.9
105.04334	0.8
109.02816	1.4
111.00759	1.3
111.04405	2.0
111.08026	1.3
112.03908	2.0
115.02869	0.9
116.02391	0.9
121.02867	5.8
121.06491	3.2
123.04379	0.9
124.01554	100.0
125.01849	4.7
125.03561	0.7
137.06007	1.1
137.09578	1.1
139.03905	46.6
139.07523	1.6
139.11194	2.6
140.00958	1.1
140.04268	2.0
140.07080	1.7
142.04059	1.0
144.04218	1.3
149.99489	5.8
152.98172	3.4
153.01863	0.8
154.13565	0.8
155.03522	1.4
156.05574	3.4
157.05157	6.5
165.01840	91.9
166.02211	6.8
168.00540	6.9
183.02908	59.3
183.06535	7.9
183.10165	11.3
184.03333	5.2
184.06093	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	177.0186
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
50.75069	0.2
59.01243	0.6
63.78696	0.2
65.01283	0.2
65.99719	0.3
67.01740	0.3
70.90938	0.5
71.01237	0.4
75.00759	0.4
77.03841	0.6
81.03329	2.1
87.00782	0.3
89.02306	0.4
89.03842	7.7
90.04176	0.3
93.03344	1.4
95.04919	0.9
97.67256	0.2
99.00751	0.4
105.03345	11.6
106.03646	0.7
107.01283	0.4
107.04879	0.3
109.02827	0.6
113.02304	0.3
121.02863	1.1
129.01830	0.2
133.02850	27.5
133.06502	0.5
134.03119	1.4
135.00703	0.4
139.03896	0.4
149.02359	3.5
150.02927	0.3
162.03127	3.2
177.01851	100.0
178.02203	9.1
183.68152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
53.13425	1.6
55.01751	9.9
57.03322	7.7
58.73436	1.6
59.01245	36.2
67.01738	4.0
68.99683	15.2
69.03334	11.4
70.93221	2.6
70.93545	2.4
71.01249	56.0
71.16730	1.8
72.00799	2.2
72.01591	2.7
72.99173	37.0
73.02808	17.7
75.00743	36.8
83.01254	31.3
85.02821	29.9
87.00750	100.0
88.01094	3.8
89.02319	5.1
89.03439	5.8
93.03339	1.8
95.01258	5.3
96.99197	4.6
99.00758	34.8
101.02336	7.4
103.00255	8.4
104.73804	2.0
111.00779	10.5
113.02323	13.0
115.00253	47.0
115.03899	2.1
117.01805	7.8
124.98679	2.7
127.00251	67.0
129.01808	7.3
131.04872	1.7
139.00269	5.8
145.01326	6.3
147.04434	2.2
157.01340	5.2
160.01582	2.2
175.02397	16.1
175.03880	5.6
175.06042	8.7
176.03290	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	170.0814
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
52.01783	1.1
53.72313	0.9
55.01784	0.9
57.03322	59.9
58.02848	9.4
58.03658	2.4
59.01250	100.0
60.01578	1.9
60.63655	1.1
65.01311	13.4
65.03814	1.0
65.99689	1.3
66.03358	2.5
68.01279	2.5
68.99689	1.6
69.03333	1.1
71.01250	2.8
71.04876	4.4
73.02811	1.5
80.04926	3.2
81.03333	1.9
81.04477	2.2
83.01249	1.4
83.04887	2.5
84.83097	1.0
85.02825	1.4
85.06457	2.6
86.02321	1.1
89.01326	10.0
90.00844	1.6
91.02871	1.0
97.06506	1.0
98.02417	0.9
99.00801	1.8
99.04378	2.1
99.05522	1.1
100.03924	1.7
101.05977	2.7
102.00816	1.1
105.04468	5.2
106.03977	1.2
106.06509	2.8
108.08069	31.2
109.02824	6.5
109.06496	1.5
109.08413	2.5
110.05999	4.4
111.04449	2.5
112.00283	11.3
112.03901	1.3
116.02438	3.9
124.07573	19.4
124.08463	1.5
125.06988	0.9
125.07898	0.9
125.09663	2.2
126.05432	1.4
126.09141	21.7
126.64366	1.1
127.03915	3.9
127.04788	1.0
127.07532	4.3
127.09415	1.3
127.11186	1.9
128.07083	2.7
129.04469	2.1
130.02747	1.2
130.03990	3.2
139.00226	1.2
140.03465	1.3
142.03989	1.8
143.02538	1.4
143.03494	6.1
143.04485	1.1
144.01938	3.0
144.05551	9.5
151.25699	1.2
152.07077	7.6
170.03360	1.5
170.04593	3.6
170.08147	43.8
171.01784	6.1
171.03130	2.1
171.06677	18.5
171.08499	3.1
171.10158	32.5
171.11641	1.6
171.13799	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	169.1226
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
57.03308	2.5
58.02842	1.0
58.10345	0.7
59.01262	1.6
64.01789	1.4
65.00222	1.6
65.01306	2.4
66.03348	2.1
67.01767	1.0
68.99676	1.2
69.03316	3.6
71.01249	3.3
71.04890	2.0
71.52987	0.8
75.39877	0.8
81.03344	3.3
81.04455	1.0
82.02866	0.8
83.01259	1.7
83.04900	21.0
85.02836	1.1
85.06443	5.7
89.01318	1.4
90.00847	1.2
95.01289	1.0
95.04942	0.8
95.90291	0.7
97.02845	5.2
97.06486	2.4
98.02381	0.9
98.05990	1.6
99.00757	1.3
99.04412	0.9
101.05965	66.3
102.00864	1.6
102.06298	2.8
107.04929	2.3
109.02816	1.9
110.02377	7.0
112.05135	0.8
113.09611	3.5
115.02911	4.0
116.02430	2.8
123.04444	2.0
124.70723	0.7
125.02338	15.3
125.05944	3.5
125.09594	3.6
126.01793	0.8
126.02664	1.1
126.05427	0.7
127.03968	0.9
127.05025	1.7
129.03218	1.9
130.02713	1.4
132.93726	0.8
137.62729	0.7
139.00291	1.1
139.03925	2.0
139.11108	0.9
140.03476	1.4
140.08331	14.7
140.82796	0.8
141.01888	1.3
141.08878	1.1
141.12775	9.5
142.04013	11.6
143.02397	1.8
143.03535	6.1
150.96945	0.9
151.00285	1.5
151.03937	2.1
151.11284	0.9
153.98991	1.3
154.02747	1.1
168.03180	1.0
169.01395	8.6
169.03772	1.9
169.05057	15.8
169.06209	1.2
169.08612	3.6
169.12260	100.0
170.04588	4.0
170.07091	1.4
170.12602	9.9
189.23833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11599	0.3
58.02850	100.0
59.01259	0.3
59.03186	2.0
65.00200	0.4
69.03336	0.6
70.02854	0.8
71.23604	0.5
74.05597	0.3
81.03323	0.4
83.04922	0.4
85.02813	0.4
97.02859	1.1
97.06490	0.5
100.44092	0.3
107.04950	1.2
108.04459	0.4
109.02361	0.5
122.80132	0.2
122.89323	0.5
123.00751	0.4
123.04459	0.3
124.03932	0.3
124.04767	0.7
125.02337	8.9
125.06020	0.9
125.09677	0.6
139.00259	0.4
139.03949	0.4
144.37076	0.3
151.00319	0.3
151.03908	0.7
151.11243	0.5
152.01060	0.4
153.01453	1.7
154.02727	0.4
168.03844	0.4
168.13832	6.8
168.15161	0.4
169.01353	2.4
169.05110	1.8
169.12296	0.8
169.14250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56405	1.0
52.72184	1.1
52.94622	1.2
57.03312	7.7
59.01247	1.3
63.02270	1.5
65.00193	10.3
67.70824	1.3
69.03333	1.6
70.53973	3.2
79.65904	1.2
81.03329	6.9
82.04612	1.0
83.01254	31.9
83.04907	1.9
85.02792	1.9
95.16961	1.2
97.02837	4.8
97.06477	2.3
98.02354	1.6
99.00745	1.2
99.04383	2.1
102.91283	1.1
104.97071	1.3
107.01273	13.9
107.04893	2.1
107.48254	1.1
113.10970	1.1
122.34676	1.2
123.04393	2.1
124.98766	1.1
125.02341	31.4
125.06001	3.0
125.09623	3.5
126.02661	1.2
127.03896	1.9
136.98625	1.1
141.01767	1.6
151.00273	100.0
152.00601	8.8
153.99005	1.8
169.01341	76.5
169.04967	4.7
169.06247	1.3
169.08585	1.6
170.01674	5.0
170.04539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0342
Annotation	Orsellinate
Peak:m/z	Relative Intensity
54.21780	0.3
65.00187	2.1
65.60623	0.3
67.01752	0.5
71.32479	0.7
80.02532	2.8
81.03358	0.3
83.01267	0.4
91.01773	8.2
92.02061	0.3
95.01270	1.6
95.04920	0.6
97.02842	0.4
103.26973	0.4
107.58806	0.3
108.02052	72.0
109.02357	3.6
111.00754	1.0
123.00829	1.6
123.04410	19.6
124.01585	1.9
124.04718	1.7
125.02328	0.5
152.01065	100.0
153.01392	7.2
162.16322	0.4
167.03412	12.2
168.03726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.54691	0.7
65.99695	0.9
66.03355	2.3
67.01748	1.5
67.02890	1.0
69.03311	1.0
69.24091	7.2
80.02506	1.0
80.04900	0.9
81.03320	5.4
83.01262	1.1
83.04918	1.1
91.01775	3.1
93.03353	2.0
95.01260	2.8
95.04905	4.1
96.04391	0.9
97.02835	4.9
98.20178	4.4
99.04413	3.5
108.02047	26.2
108.04414	1.1
109.02838	3.1
110.02368	1.3
110.03191	0.8
111.00725	1.7
111.04416	1.2
111.14795	0.8
121.02837	1.5
122.03197	0.8
122.06004	3.1
123.00767	6.8
123.04401	20.9
123.08027	1.8
124.01566	4.9
124.03970	1.3
124.04910	0.9
125.02360	4.6
137.02333	6.8
138.03162	10.0
139.00270	1.9
139.03947	6.6
140.01042	1.0
149.02327	1.2
150.21954	0.8
151.00267	5.7
152.01053	51.7
155.03423	1.0
165.01836	6.4
166.02628	100.0
166.04964	3.9
166.99779	0.9
167.03395	31.9
167.07088	4.1
170.02113	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	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20802	0.5
58.02837	0.7
59.01256	3.0
65.00205	1.3
65.01325	2.7
65.03818	0.6
65.99721	2.1
66.00848	1.3
66.03367	1.5
67.01759	1.4
67.02891	1.2
68.01292	1.0
69.48160	1.6
69.48570	1.7
71.01262	3.8
72.99178	35.7
73.93228	0.5
75.00758	0.8
77.03857	1.5
80.04921	0.7
81.03322	1.1
81.04487	1.6
82.02867	0.7
82.03973	3.0
83.01286	0.6
83.02363	1.3
83.04898	0.6
85.02833	1.0
89.02326	1.5
91.01762	1.4
91.02847	0.6
91.05390	0.7
92.99711	2.1
93.03338	4.9
94.02885	1.2
95.01286	2.0
95.02400	2.2
95.79015	0.6
96.00791	1.3
96.04476	0.5
97.02782	0.7
97.03960	3.5
98.02394	1.2
101.02321	0.9
101.03873	2.0
108.02038	1.7
109.02859	3.5
109.03967	1.9
110.02321	1.1
117.03337	0.8
119.04915	38.7
120.01970	0.9
120.05224	3.7
121.02843	25.5
121.06504	2.2
122.02448	0.6
122.03532	3.5
122.06055	1.2
123.00771	3.6
123.01897	1.3
123.03089	1.2
123.04431	3.2
123.05578	1.7
123.06634	0.7
124.03896	0.9
124.05067	3.5
135.04378	1.1
136.05209	0.7
137.02365	6.0
137.03360	1.0
137.05988	1.5
138.02924	2.1
138.05571	0.8
139.03952	0.7
139.05043	1.4
147.04416	100.0
148.01303	0.6
148.04758	7.5
149.00858	1.8
150.03119	6.2
151.00259	4.3
164.89479	0.6
165.01843	8.6
165.05473	33.5
165.07707	1.2
165.08926	2.8
166.02577	2.0
166.04762	1.0
166.06128	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	161.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28025	1.0
55.01745	5.1
57.03325	14.0
58.00456	4.5
59.01252	67.9
65.01317	3.6
65.99735	1.3
69.03329	7.4
70.72780	3.0
71.01253	67.9
71.04527	2.2
71.04892	29.4
72.01567	1.5
72.05212	1.2
72.99172	10.6
73.02819	30.8
75.00735	4.4
78.49802	1.1
79.28333	0.9
81.03337	14.4
83.01260	21.0
84.02044	2.4
85.02824	100.0
86.03162	2.3
87.00759	9.3
87.04385	21.2
89.02320	19.8
97.02846	6.9
99.00758	2.5
99.04397	92.3
100.04744	3.2
101.02322	6.5
113.02350	6.3
113.05888	1.2
114.68056	1.1
115.03899	50.8
115.07533	10.0
116.04257	2.1
117.05461	38.3
118.05787	1.8
121.02733	1.4
125.02348	3.0
129.01834	2.7
131.03403	42.4
132.03731	2.6
133.02863	3.1
134.03474	4.4
141.01811	1.4
143.03398	2.7
159.02852	1.3
160.41145	1.0
161.02480	7.8
161.04469	60.1
161.08101	88.7
162.01895	3.9
162.03081	1.9
162.04797	2.8
162.08430	5.3
165.69637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
62.73036	0.1
69.96773	0.4
82.17950	0.1
91.05402	0.2
93.03331	1.3
94.03725	0.1
117.03354	0.2
119.04915	100.0
120.05247	7.2
131.13393	0.1
142.23329	0.1
147.58142	0.1
163.03915	6.7
164.04250	0.6
169.46011	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	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33548	0.1
59.01256	0.1
69.69767	0.6
85.83647	0.1
91.01733	0.2
91.05444	0.2
92.54607	0.1
93.03324	1.2
98.20477	0.2
101.02329	0.2
105.55138	0.1
116.80583	0.1
117.03362	0.3
119.04915	100.0
120.05244	8.0
121.05082	0.1
163.00293	0.2
163.03917	7.0
164.04253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68139	0.8
66.03356	1.1
68.99691	1.3
69.03326	2.9
70.90476	1.4
70.90807	1.4
71.04866	2.0
81.03326	4.9
82.33696	1.0
95.01270	1.0
97.02811	1.3
97.06460	23.0
98.06805	1.2
99.08028	7.4
108.02054	7.7
109.02838	100.0
109.06489	1.8
109.99962	4.5
110.03170	5.1
111.01917	0.9
111.04416	1.3
111.62640	1.1
121.59333	0.9
123.04395	3.1
124.03954	1.2
125.02321	3.3
125.09583	2.0
127.40099	0.9
137.09622	2.9
137.99506	4.1
151.00209	1.2
151.11177	1.9
153.01842	24.9
153.05463	3.1
153.12753	74.5
153.86806	8.9
154.02202	2.0
154.04987	1.2
154.13124	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	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13831	0.8
58.39699	1.0
59.01248	8.6
65.01321	4.0
65.99734	4.8
66.03351	1.5
67.01760	1.3
67.02882	4.0
68.01291	0.9
70.86095	1.2
70.86422	1.4
71.01254	16.9
72.99189	1.2
73.02821	3.8
75.47179	0.9
75.66943	0.9
79.01785	1.2
80.25684	0.8
81.03334	1.6
81.04415	0.9
82.02877	1.9
82.39600	1.0
83.01273	2.2
83.02351	1.6
85.02843	1.4
89.02321	9.8
90.91986	1.0
91.02886	1.2
92.02388	0.8
93.03329	4.7
94.02864	1.9
95.01266	4.5
95.04881	2.6
97.02853	0.9
101.02332	8.1
106.04008	1.9
106.11395	1.0
107.01302	1.2
107.04910	15.5
108.02051	11.9
108.04437	4.2
108.05549	2.4
109.02834	4.3
109.03976	3.2
119.03395	1.0
120.01909	1.6
121.02859	10.2
122.02394	1.4
122.03687	9.8
123.00766	6.5
123.01896	3.9
123.04414	33.2
133.05025	0.9
135.48825	1.0
136.01559	100.0
137.02338	2.0
137.61821	0.9
139.03923	1.9
149.02382	5.8
150.00098	3.7
150.03122	77.8
150.05482	5.2
150.06503	1.8
151.00293	2.5
151.03929	56.8
151.06009	5.9
151.07507	2.5
154.02609	2.4
159.76231	1.1
160.95091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.6
65.00207	0.8
65.01322	0.8
65.99708	1.8
66.03356	2.8
66.11758	0.6
67.01749	0.7
67.02868	1.1
68.01288	1.8
68.99685	0.5
69.03325	2.2
69.27393	4.2
72.04417	1.1
72.99193	1.1
78.99066	0.6
80.02549	2.7
80.96355	0.7
81.03329	4.8
81.04448	1.2
82.02855	1.3
83.01271	1.2
83.02383	1.2
83.04870	1.2
84.24210	0.5
85.02802	0.7
85.47074	0.6
91.01749	1.0
95.01275	1.7
95.02377	1.3
97.02846	1.6
98.19825	1.4
106.04019	0.9
107.01206	0.8
107.04927	0.7
108.02052	33.8
108.04431	2.4
108.05126	0.6
109.02840	100.0
109.06478	2.3
109.99985	11.8
110.02394	0.8
110.03497	2.0
111.00762	1.5
111.01901	1.1
111.04382	2.0
121.25739	0.6
122.03581	1.7
123.00743	2.3
123.04420	4.8
124.01584	3.4
124.03981	0.9
124.04742	1.1
124.47735	0.6
125.02337	6.0
125.03394	1.4
125.06020	0.6
134.03531	2.8
135.04466	2.8
137.01857	5.1
137.99484	9.3
138.03142	1.2
138.71130	0.6
151.00269	1.8
151.11223	1.3
151.99950	0.7
152.01057	15.8
152.03217	3.9
152.04485	4.0
152.07063	0.7
153.01840	29.7
153.03070	1.4
153.05453	7.1
153.09126	0.6
153.12698	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	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95125	0.6
58.02830	0.6
59.01254	3.8
65.01322	3.9
65.03818	0.7
65.99716	4.1
66.03362	1.0
67.01754	0.7
67.02886	4.2
68.01292	0.7
68.99684	0.5
69.03316	1.3
69.46364	2.8
69.46775	1.0
69.74141	0.5
70.45284	0.5
71.01250	7.0
73.02836	1.7
78.30706	0.5
79.01700	0.7
79.02898	1.2
80.04954	0.7
81.03327	0.7
81.04459	1.2
82.02866	0.8
83.02396	0.8
89.02304	3.5
91.02902	1.1
92.02447	1.4
93.03335	2.3
94.02870	0.6
95.01254	2.7
95.02396	1.1
95.04890	1.3
98.02345	0.6
98.20571	0.8
101.02309	3.0
105.03332	0.7
107.01260	0.7
107.02421	1.0
107.04291	0.8
107.04913	6.9
108.02039	7.3
108.04431	4.0
108.05578	2.4
109.02852	3.5
109.03942	3.1
120.01905	1.5
121.02850	6.0
122.02428	0.7
122.03662	8.8
122.06010	0.6
122.56950	0.6
123.00786	5.4
123.01879	4.3
123.04411	18.0
124.01535	1.5
133.02893	0.7
133.03952	0.9
133.05072	0.7
136.01556	52.1
137.02341	1.8
139.03897	2.9
149.02341	7.6
150.03119	100.0
150.05551	2.5
150.06599	2.1
151.00356	1.2
151.03935	31.1
151.05037	1.0
151.06001	1.5
151.07425	1.2
152.77315	0.5
154.02626	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	147.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71336	2.5
53.95778	2.3
57.03321	27.4
59.01235	17.4
64.12815	2.3
65.14848	2.6
68.99668	2.4
69.22374	16.0
69.22782	5.2
71.01253	16.3
71.04883	4.3
72.99168	4.8
73.02820	11.6
75.00738	6.8
75.02277	2.3
75.48622	2.4
83.04878	2.7
85.02818	100.0
86.03168	2.7
87.00739	35.4
101.02325	30.3
101.05954	12.7
103.03901	15.2
117.04679	2.8
129.01794	6.3
141.58778	2.5
147.02870	7.6
147.04375	4.1
147.06508	35.8
148.03940	3.2
148.05028	2.9
153.21834	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00236	3.8
51.65862	3.8
56.23264	3.9
56.80207	4.6
57.03328	5.3
59.01250	25.4
60.18377	4.3
64.01791	8.6
65.01320	65.7
65.99712	24.4
66.55845	4.0
67.02883	7.0
68.01305	7.2
70.39491	14.4
71.01259	22.1
72.99181	5.9
73.41907	4.7
75.00741	19.9
77.01318	5.5
79.02901	14.3
81.04456	4.4
85.02823	6.8
85.24396	4.1
86.74855	4.1
87.33795	3.9
89.01342	3.9
90.00867	10.1
91.02888	11.4
92.02428	6.9
99.00741	6.9
105.03305	5.4
105.04481	18.9
106.04001	37.2
107.02396	5.9
117.01975	6.9
118.03990	8.7
119.02446	7.0
119.04899	26.3
120.01089	5.1
120.01927	32.3
120.04469	8.9
120.05559	14.8
121.03951	20.3
132.01938	5.5
147.01895	12.1
147.02991	24.3
147.04404	78.7
147.05510	7.5
147.06621	18.1
148.01422	5.8
148.03908	12.5
148.05034	100.0
151.94536	5.7
167.35782	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.3
57.03326	22.1
58.02851	23.8
59.01239	4.7
65.01306	2.3
67.01760	37.6
68.99688	14.6
70.65431	4.7
71.01248	13.2
71.06172	1.6
72.99188	6.5
73.02431	1.6
73.02830	5.0
83.01260	5.7
83.04876	2.6
83.69765	1.5
85.02822	100.0
85.06483	1.7
86.03154	3.5
87.00767	3.8
88.03916	58.7
89.01343	2.3
94.69078	1.7
96.99197	1.6
99.00753	4.9
99.35933	1.6
101.02321	11.7
103.02949	2.4
111.00778	4.8
127.61869	1.8
128.89110	4.6
129.01842	26.1
129.03839	2.0
129.05472	4.4
130.04015	27.8
130.04962	3.9
130.08636	46.2
146.37354	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	10.9
57.10926	1.2
58.02832	2.5
59.01238	2.8
69.03334	2.5
69.69270	6.8
71.01267	6.6
72.99180	2.3
73.02821	10.2
75.00753	1.6
85.02821	52.5
85.06454	2.0
87.04411	8.3
88.03931	3.9
101.02350	1.3
113.02345	3.8
130.04019	5.1
130.08632	100.0
131.03423	21.1
131.07034	1.6
131.08965	5.7
137.33823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78477	0.3
57.03321	5.5
59.01254	3.5
60.16307	0.3
69.02982	0.3
69.03329	1.3
69.15645	0.3
71.01253	100.0
71.07219	0.7
72.01587	3.2
72.99181	18.8
75.00739	0.6
81.13355	0.3
83.13790	0.3
85.02810	1.6
87.00750	13.9
87.04390	11.4
88.01096	0.5
88.78428	0.3
89.02316	10.9
89.48018	0.3
90.02628	0.4
98.83521	0.3
104.44141	0.3
106.04008	0.5
107.03507	1.1
115.00256	81.1
115.91930	0.5
116.00603	3.6
116.71975	0.3
133.01321	15.1
133.04959	18.6
134.01636	0.6
134.03514	1.0
134.04602	2.5
134.05460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	26.3
59.00815	1.3
59.01254	8.5
69.69225	1.2
70.14024	1.8
70.48413	3.3
70.80831	1.5
74.36860	1.2
85.02824	71.0
86.03204	1.8
87.00750	100.0
88.01104	4.1
101.02318	4.5
103.03889	8.8
129.01833	13.6
147.02904	23.7
148.03195	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	120.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	0.6
52.01813	0.3
64.01804	0.6
65.01325	3.5
65.03816	0.5
65.99720	2.6
66.00826	0.6
66.03357	3.3
67.02902	1.5
67.03212	0.3
68.01282	0.9
68.99680	0.4
69.00813	0.3
69.69786	1.5
77.01311	0.6
78.03330	0.3
79.01632	1.3
79.02889	8.4
80.01295	1.3
81.99216	0.3
82.01601	4.8
91.01772	1.1
91.02898	1.9
92.02444	1.7
93.03344	4.4
93.04446	0.6
94.00406	0.3
94.02866	20.6
95.00710	0.3
95.01268	0.9
95.02381	5.1
95.02996	0.5
98.20516	0.6
103.02902	0.7
106.00379	1.1
106.01619	0.7
108.02053	3.8
120.01962	2.1
120.99554	4.6
121.02847	100.0
121.03911	5.8
121.05103	7.0
121.05893	2.2
122.02373	11.9
122.03446	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06628	0.3
59.01250	1.4
59.78304	0.3
61.79154	0.3
61.98705	0.9
65.01305	0.4
65.03828	0.3
71.01257	0.4
71.24505	0.6
72.99172	0.4
91.05414	1.4
93.03330	5.8
101.92299	1.3
103.01292	0.3
104.02598	0.4
109.79810	0.3
117.03401	0.4
118.92510	2.5
118.93324	0.5
119.02422	1.7
119.04912	100.0
120.05261	8.0
124.94676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
61.98688	1.6
65.01302	1.2
70.43963	1.0
70.44299	0.7
71.01260	0.8
72.99160	0.7
73.02815	0.9
91.05405	1.3
91.44007	0.5
92.02464	0.5
93.03333	4.7
101.92293	1.7
118.92486	2.7
118.93293	1.0
119.02409	3.0
119.04914	100.0
120.05431	9.3
132.12068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	6.7
56.04314	0.8
59.01239	4.0
64.01786	3.1
65.01318	15.9
65.59930	0.8
65.99719	13.3
66.00838	0.8
67.62362	0.9
68.01287	5.5
71.01253	2.1
72.99181	1.9
73.02813	2.3
77.01318	3.9
79.02895	2.9
83.61224	0.8
91.02898	9.9
91.05418	0.9
92.01292	9.5
92.02409	4.6
92.03226	0.9
93.00835	5.9
93.03345	3.9
93.04427	1.2
101.92336	1.2
104.02473	1.0
105.03212	1.2
117.03265	0.8
118.04053	4.1
118.92532	4.0
119.02405	26.2
119.03437	5.0
119.04903	100.0
120.01930	16.7
120.03225	1.9
120.05571	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	1185.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.7
84.01481	0.1
85.02831	0.9
92.09757	0.1
95.01254	0.3
98.20497	0.3
99.00771	0.2
101.02305	0.6
105.03336	0.4
107.01273	1.3
109.02836	1.1
111.00732	0.1
113.02335	1.3
115.00237	0.6
121.02837	0.6
123.04373	0.1
125.02316	0.5
133.02846	6.2
134.03191	0.2
135.04407	0.3
139.00206	0.1
147.04381	0.1
149.02347	1.6
150.99135	0.2
151.00275	3.4
151.03865	0.2
161.04434	0.2
171.04437	0.4
175.02501	0.3
175.03923	2.8
177.01817	0.5
185.05998	0.4
187.03941	0.2
189.05476	0.3
197.05949	0.3
198.03203	0.2
199.03911	2.0
200.04274	0.2
201.01910	1.0
211.03963	0.2
212.04637	0.2
213.05527	0.5
215.03435	0.4
217.04985	1.4
219.32211	0.1
223.03993	0.2
226.02736	0.1
229.05034	0.2
239.03584	0.2
240.04276	0.2
241.05008	0.9
242.02130	0.2
243.03046	0.8
245.08263	0.1
255.03001	0.2
256.03754	0.3
257.04486	0.5
267.02875	0.4
283.02469	0.2
284.03290	2.3
285.04031	100.0
286.04388	5.9
289.07303	0.2
297.04007	1.2
298.04745	0.5
299.05606	0.6
301.03436	0.1
309.03976	0.3
313.03610	0.3
327.05066	5.7
328.05469	0.4
337.07782	1.3
339.05078	0.6
357.05923	0.6
369.06378	0.2
381.06204	0.4
399.07394	0.4
424.08719	0.1
443.06122	0.4
489.10471	1.5
519.11584	0.2
561.12567	0.5
562.13434	0.2
623.12512	44.1
624.12885	4.8
625.12305	0.2
684.29919	0.1
723.08130	0.2
744.93933	0.1
1077.69983	0.1
1155.82080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01245	0.9
85.02820	2.2
95.01244	0.4
99.00760	0.3
101.02312	0.4
105.03338	0.3
107.01278	1.4
109.02869	0.8
113.02328	1.3
115.00262	0.5
121.02826	0.7
125.02326	0.5
133.02841	4.7
134.03233	0.2
135.04384	0.2
137.02325	0.2
143.04999	0.2
147.04347	0.3
149.02350	1.3
151.00261	3.3
151.03905	0.2
161.02396	0.3
162.24928	0.1
171.04442	0.3
173.02267	0.2
175.02483	0.3
175.03928	2.3
177.01819	0.5
185.06050	0.5
185.72847	0.1
187.03935	0.2
189.05525	0.3
191.01842	0.7
197.05998	0.2
197.99364	0.1
198.03104	0.2
199.03938	2.0
201.01875	0.8
209.02933	1.4
211.03867	0.2
212.04536	0.2
213.05502	0.4
215.03401	0.5
217.04987	1.2
223.04010	0.2
228.97096	0.2
229.04994	0.3
240.04144	0.3
241.05075	0.8
243.02913	0.7
256.03839	0.2
257.04492	0.5
267.02972	0.3
283.02505	0.2
284.03256	2.5
285.04028	100.0
286.04385	6.0
297.03989	1.3
298.04727	0.5
299.05551	0.5
309.04019	0.3
311.05716	0.2
313.03357	0.2
319.06628	0.3
327.05081	5.9
328.05374	0.4
337.07587	1.3
339.05133	0.3
357.06082	0.5
369.06259	0.2
371.06244	1.3
381.05945	0.3
399.07062	0.4
443.06161	0.5
461.07150	0.2
489.10367	1.4
497.88889	0.2
561.12543	0.4
623.12518	52.1
624.12860	5.7
934.17889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45344	0.2
52.63567	0.2
55.01750	0.7
56.02922	0.2
59.01257	0.5
60.77172	0.2
69.66447	1.1
71.01243	1.1
71.04911	0.4
72.00770	0.4
73.02814	100.0
73.77509	0.2
74.02345	0.5
74.03149	3.3
79.65404	0.2
87.86472	0.2
99.00752	7.9
99.92462	1.6
100.01122	0.3
116.91999	0.4
116.92747	4.3
117.01820	11.1
117.07433	0.5
117.92776	0.4
118.02177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	0.7
83.01260	3.6
89.03829	0.9
93.03342	1.9
95.01250	0.8
95.04894	1.4
96.16257	0.5
97.02840	1.5
104.41802	0.5
105.03372	0.6
107.04918	1.4
108.02058	0.9
109.02847	9.2
117.03341	1.1
119.04926	1.0
120.02079	0.8
121.02867	2.4
123.00735	0.8
123.04425	5.2
125.02335	100.0
126.02692	2.4
130.04118	0.6
131.04904	1.6
133.02847	8.4
135.00810	0.8
135.04416	1.7
137.02342	11.8
138.02863	0.5
139.03897	1.8
143.04883	0.8
145.02858	0.7
146.03705	0.6
147.04396	1.3
149.02348	3.5
149.06021	0.9
150.03110	0.9
151.03909	9.2
153.36186	0.5
155.04984	0.8
159.04427	3.2
160.01541	0.6
161.02347	36.0
161.05959	1.8
162.03116	2.5
163.00319	3.5
163.03902	3.8
164.01056	8.3
165.01830	5.7
167.03445	1.4
171.04362	0.7
173.06009	1.4
174.03131	1.5
175.03932	16.7
176.01071	1.2
176.04227	0.6
177.01851	13.5
177.05446	1.4
178.02359	0.9
179.03395	1.7
183.04495	1.2
185.06000	0.7
187.03917	3.8
188.04590	1.1
189.01859	2.1
190.02533	0.8
191.03453	1.4
193.04979	1.4
197.06100	0.7
199.03908	4.9
201.01924	1.4
201.05496	3.5
202.06227	0.8
203.03371	2.9
203.07047	3.3
205.01363	1.4
205.05095	2.5
211.03932	2.2
212.04697	0.7
213.05501	0.9
214.02597	0.7
215.03427	1.3
217.01346	1.5
217.04994	7.4
219.02931	4.1
219.06595	2.0
223.07494	0.5
225.05621	2.9
227.03487	2.6
228.04233	0.8
229.04971	2.4
231.02986	1.1
239.03452	0.7
241.04988	1.2
243.02969	20.5
243.06734	1.4
244.03362	1.5
245.04526	11.1
245.08144	5.2
246.04929	0.8
247.06190	0.6
253.04990	0.8
255.02957	6.5
255.05612	0.6
255.06683	0.6
256.03848	3.1
257.04578	3.0
259.06390	0.7
261.04004	5.7
267.03110	1.1
269.04504	3.7
271.06009	0.8
273.04059	1.3
281.04553	2.0
282.01785	1.3
283.02496	1.3
285.04187	3.4
286.04489	0.8
287.05615	29.4
288.05984	1.2
289.07166	11.7
290.07565	0.6
293.04532	1.4
295.02527	1.1
295.05975	0.7
297.04279	1.0
297.07632	1.2
299.05603	1.9
306.05167	0.6
309.04019	0.8
321.04135	0.6
327.05118	0.7
329.06552	1.3
337.07220	0.7
339.08823	1.5
341.06772	0.9
347.05734	0.7
363.05066	0.7
365.06650	0.9
379.08353	0.8
381.09995	0.8
387.05179	0.9
389.06754	0.9
395.07626	0.9
403.04105	0.6
404.67194	0.5
405.06049	4.8
407.07675	14.7
408.08154	1.4
413.08740	8.1
417.06134	0.8
423.07239	6.0
425.08807	7.7
426.09171	1.0
435.07416	0.9
449.08795	7.3
451.10455	4.3
465.07965	0.9
467.09628	0.8
525.08289	1.5
531.09973	0.7
533.10901	1.2
543.09485	1.4
559.13092	1.0
569.10767	1.0
575.11914	11.0
576.12103	1.7
577.13440	11.3
578.13977	1.2
587.11713	2.0
641.36243	0.6
693.12592	1.5
695.14099	4.6
701.14941	2.2
705.13232	0.7
711.13696	1.2
713.15167	1.4
739.16864	3.2
805.18671	0.7
813.15515	1.5
831.15851	1.0
863.18365	2.0
865.19995	3.5
866.21155	0.9
903.44476	0.6
983.20142	2.2
984.21570	0.8
1001.22009	1.4
1027.22852	1.0
1153.26904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01265	1.4
85.02824	3.4
87.00754	0.7
89.02311	0.4
95.01251	1.1
95.30445	0.1
99.00746	1.4
101.02325	0.8
103.00247	0.3
105.03312	0.4
107.01279	1.9
109.02839	0.7
113.02325	3.6
115.00260	0.9
117.01819	0.3
120.61630	0.2
121.02840	0.5
125.02357	0.2
132.02066	0.2
133.01257	0.4
133.02843	6.6
134.03156	0.3
135.04387	0.2
137.02386	0.2
139.00238	0.2
143.04938	0.3
149.02356	2.0
151.00272	4.4
151.03914	0.2
161.02347	0.3
161.04459	0.3
161.05913	0.1
169.06519	0.2
171.04431	0.3
173.02255	0.2
173.05949	0.2
175.02484	0.3
175.03908	2.8
177.01877	0.4
185.02364	0.2
185.05997	0.5
189.05452	0.3
195.04422	0.2
197.05962	0.4
198.03148	0.5
199.03937	1.9
201.01852	1.1
203.03284	0.2
211.03935	0.3
213.05455	0.7
215.03458	0.3
217.04994	1.4
218.05293	0.1
223.03963	0.3
226.02692	0.2
227.03503	0.3
229.04997	0.3
239.03419	0.2
240.04280	0.1
241.05005	0.8
243.02960	1.1
249.06273	0.1
255.02974	0.2
257.04544	0.6
267.03040	0.4
268.03751	0.5
269.04495	0.1
271.02457	11.2
272.02863	0.6
284.03342	1.1
285.04031	100.0
286.04376	5.7
297.03976	1.0
299.01968	23.1
300.02451	2.0
301.03577	0.2
313.03531	2.6
314.04309	16.7
315.04800	1.3
327.05093	1.2
328.05859	0.3
329.06653	44.9
330.07019	2.4
337.07822	2.2
357.06042	0.7
369.06229	0.2
371.07666	0.5
381.06235	0.2
461.07248	36.6
462.07672	2.5
533.13116	0.3
609.14807	0.2
667.15155	25.3
668.15436	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	1129.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	1.4
85.02816	3.1
87.00768	0.6
89.02335	0.4
89.10996	0.2
90.82132	0.2
95.01263	1.0
99.00746	1.4
101.02335	0.4
103.00241	0.2
105.03316	0.2
107.01255	1.5
107.83799	0.2
109.02829	0.7
113.02345	2.9
115.00252	0.7
117.01819	0.4
121.02822	0.9
121.63503	0.2
125.02316	0.4
132.02101	0.3
133.01361	0.4
133.01758	0.3
133.02847	6.4
133.26599	0.2
134.03273	0.3
138.24126	0.3
149.02347	1.5
151.00269	4.1
156.93326	0.2
161.02380	0.3
171.04398	0.3
175.02487	0.5
175.03912	2.3
176.17012	0.2
177.01830	0.8
185.06021	0.2
187.03911	0.3
197.06020	0.4
198.03096	0.3
199.03947	2.1
201.01848	0.9
211.03864	0.3
213.05507	0.8
215.03453	0.5
217.05003	1.5
223.03992	0.3
227.03514	0.2
241.05019	1.2
243.02942	0.8
255.02986	0.5
256.03381	0.3
257.04510	0.4
268.03668	0.3
271.02478	9.7
272.02859	0.3
284.03372	1.2
285.04031	100.0
286.04382	6.4
297.03961	0.8
298.04437	0.3
299.01971	20.7
300.02533	2.3
301.03445	0.6
313.03510	2.2
314.04318	14.8
315.04675	1.2
324.05099	0.7
325.05457	0.4
327.05151	1.5
328.05807	0.3
329.06650	44.8
330.06909	2.8
337.07776	3.7
339.05099	0.2
342.06134	0.3
343.06528	0.2
355.04517	0.3
357.05984	1.2
371.07623	0.6
381.05777	0.4
399.07498	0.3
461.07245	53.1
462.07608	5.0
518.09656	0.4
539.70148	0.3
599.69037	0.3
609.14459	0.6
610.15039	0.4
648.15625	0.3
666.16400	0.3
667.15161	35.1
668.04865	0.4
668.15546	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	1135.7114
Annotation	Unknow
Peak:m/z	Relative Intensity
78.49857	0.2
81.03326	2.7
83.01253	5.6
83.04891	7.4
84.05233	0.3
85.02813	1.5
87.00727	0.4
89.02316	1.6
95.01266	0.4
97.02827	0.3
99.00771	0.3
101.02319	14.0
107.06003	0.3
108.30582	0.2
113.02329	5.2
119.03400	1.3
119.04909	0.2
125.02311	1.1
125.07088	0.5
131.03391	1.5
137.02338	0.2
143.03395	1.5
143.08128	0.3
149.04446	3.1
155.03366	0.5
161.02370	0.4
161.04459	5.1
165.01820	0.2
167.03563	0.2
175.04024	0.3
179.03307	0.2
203.05565	1.0
207.14973	0.7
219.06393	0.2
221.06587	1.8
222.16100	0.2
224.17630	1.8
225.16031	10.5
226.16316	0.4
242.18732	0.4
251.09129	0.5
262.24646	0.2
268.16861	0.2
309.21832	0.6
324.26675	0.4
333.22906	0.4
339.27985	0.3
341.29242	0.9
367.27090	1.2
385.28107	0.5
407.33844	0.3
433.31870	0.8
450.34436	1.4
451.32816	8.0
452.33276	0.9
457.13428	0.4
535.38019	0.2
550.43616	1.1
559.39661	0.4
565.44659	0.4
593.44080	0.8
643.44489	0.2
659.48621	2.9
660.48828	0.5
677.49664	100.0
678.49945	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75422	0.4
55.01752	0.5
59.01244	3.8
65.01308	0.5
69.23883	0.4
69.82180	0.9
69.82584	1.2
71.01249	100.0
71.04891	3.1
72.01585	3.5
72.99171	1.0
73.02833	0.5
73.03943	3.3
74.02354	1.8
85.02842	0.5
87.00748	3.0
89.01338	1.6
97.02837	0.7
98.20586	0.4
105.85461	0.5
114.02080	0.4
114.05503	0.5
115.00253	9.7
115.02782	0.4
115.03049	0.5
115.03891	5.3
116.02443	2.3
116.07053	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	1099.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	1.0
85.02819	3.6
87.00740	0.7
89.02320	0.5
90.81070	0.3
95.01248	1.0
99.00746	1.4
101.02319	1.0
103.00233	0.4
107.01273	1.9
109.02838	0.7
113.02317	3.0
115.00254	0.8
121.02837	0.8
125.02305	0.3
129.53688	0.3
133.01297	0.6
133.02844	5.7
135.52937	0.3
138.03354	0.3
149.02332	1.8
151.00267	3.9
160.14413	0.4
171.04442	0.4
175.02574	0.4
175.03879	2.1
185.06056	0.4
198.03101	0.3
199.03915	2.7
201.01860	0.7
213.05574	0.8
215.03625	0.6
217.05064	1.5
227.03520	0.7
234.14714	0.3
239.03426	0.3
241.04964	1.0
242.02318	0.4
243.03224	0.7
255.02940	1.2
256.03751	1.9
257.04578	0.5
262.66083	0.3
267.03024	0.5
271.02469	1.0
283.02417	0.9
284.03250	40.3
285.04007	100.0
286.04419	5.7
297.04019	1.1
298.04785	0.7
299.05582	52.4
300.02777	0.5
300.05896	3.1
313.03580	0.4
314.04425	0.7
327.05106	1.4
329.06476	1.7
337.07724	3.2
341.06808	0.9
357.05902	0.9
381.06097	0.4
399.07608	0.4
461.07230	51.5
462.07611	4.6
607.12830	0.4
609.14740	0.4
637.14044	37.6
638.14404	4.2
667.15625	1.1
878.33093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
79.85351	0.3
82.78769	0.3
89.03873	0.7
93.03342	2.6
96.95897	0.4
117.03345	33.8
118.03661	0.5
119.04913	100.0
120.05235	2.3
121.02841	4.0
123.00778	0.4
123.04404	0.8
132.05714	0.7
133.02811	0.9
133.06514	0.5
134.03596	0.5
137.02283	0.5
145.02852	56.3
146.03169	1.8
149.02322	0.7
151.00272	1.7
151.03871	0.4
161.02376	0.5
161.06050	0.4
162.03156	2.5
163.03917	43.5
164.04312	1.4
165.01837	1.2
166.02618	2.8
177.01874	2.6
177.05501	1.0
178.02562	0.7
179.03410	0.9
180.04176	0.5
181.04993	2.4
191.03561	0.4
192.04214	1.5
193.04970	0.7
194.05812	0.8
195.06516	0.9
207.06534	2.0
209.08052	0.4
209.60764	0.3
210.08286	0.3
353.10287	0.6
355.11841	0.4
371.11398	1.4
556.29456	0.3
579.18665	0.4
581.20221	1.1
597.19873	1.0
702.94263	0.4
710.61639	0.4
726.23297	1.2
727.23950	3.7
728.24847	0.6
743.23438	10.3
744.23938	1.2
807.28937	0.6
935.30841	3.2
936.30853	0.5
953.32349	23.3
954.32776	4.1
1099.35950	26.4
1100.36316	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	1099.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03865	0.2
91.05407	0.4
93.03327	2.2
117.03348	15.2
118.03705	0.5
119.04915	100.0
120.05244	2.8
120.26553	0.2
121.02841	1.5
123.00797	0.3
123.04433	0.4
124.46432	0.2
125.02335	0.2
130.04178	0.3
131.04903	0.9
132.05656	0.3
133.02811	0.3
133.06441	0.4
134.03619	0.2
137.02324	0.2
138.03127	0.5
139.03864	0.2
143.04970	0.2
145.02852	23.0
146.03186	0.7
147.04332	0.2
149.02492	0.2
151.00261	0.4
152.00996	0.3
159.04410	0.2
161.06024	0.2
162.03114	1.1
163.03914	42.5
164.04276	1.3
165.01813	0.6
166.02623	0.5
167.03403	0.2
169.06451	0.2
175.03937	0.3
177.01892	0.6
177.05522	1.0
178.02611	0.6
179.03416	0.2
180.04114	0.3
181.04985	0.6
189.05612	0.2
192.04234	0.7
193.04951	0.5
195.06566	0.7
201.05334	0.2
207.06622	0.3
211.03976	0.3
211.07591	0.5
212.04672	0.2
227.07158	0.3
237.08994	0.2
237.17700	0.1
265.08929	0.2
279.06641	0.3
284.03156	0.3
285.03961	0.3
287.06305	0.2
289.08759	0.3
299.05606	0.3
305.07880	0.2
308.07019	0.2
309.04019	0.2
309.07480	0.2
311.05502	0.2
311.09164	0.3
317.07971	0.8
318.08963	1.0
322.04758	0.3
323.05643	0.2
324.06412	0.2
327.08685	0.3
331.09964	0.3
332.10559	0.5
333.11234	0.6
336.06555	0.2
337.07239	0.2
338.07898	0.3
339.08643	1.1
339.86899	0.2
349.11127	0.2
351.08694	0.4
352.09778	0.2
353.10342	0.5
354.11029	0.6
361.07040	0.3
362.07629	0.3
363.08627	0.2
364.09644	0.3
365.10199	0.2
365.16174	0.2
369.09708	0.2
369.13724	0.2
371.11453	0.4
376.09390	0.3
377.10138	0.7
391.11819	0.3
439.11749	0.2
443.15057	0.2
455.11469	0.2
456.12009	0.2
469.12503	0.2
470.13916	0.3
471.14539	0.5
485.15964	0.6
498.65204	0.2
500.18414	0.3
501.19354	0.6
515.13452	0.3
543.16266	0.3
544.17322	1.1
545.18268	2.4
546.18768	0.4
559.19281	0.2
599.18652	0.3
679.24780	0.2
709.23145	0.2
723.24738	0.5
726.22931	0.5
727.24060	0.7
741.25354	0.9
753.25592	2.2
754.25323	0.4
763.24243	0.2
767.26617	0.5
771.26483	4.5
772.26807	0.6
779.26611	0.2
811.25830	3.0
812.26459	0.6
823.26013	0.6
858.28271	0.3
873.31268	3.3
874.31750	0.9
899.29211	0.4
903.28387	0.3
905.30243	2.0
906.30103	0.4
917.30237	28.9
918.30585	5.9
935.31354	0.7
953.31885	0.9
977.31104	0.3
1081.35132	4.0
1082.35046	1.1
1084.75720	0.2
1099.35876	4.7
1099.59277	0.2
1100.35583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03331	0.1
83.01246	1.0
85.02831	1.5
87.00755	0.5
91.01783	0.1
93.03350	0.2
95.01254	0.5
99.00733	0.7
101.02289	0.1
105.03356	0.3
107.01272	3.8
108.02043	1.1
109.02835	1.5
113.02342	1.1
115.00293	0.2
116.83824	0.1
117.01797	0.2
117.32333	0.1
119.01299	0.2
120.59607	0.1
121.02840	2.1
123.00726	0.3
124.01528	0.2
125.02335	0.4
129.01849	0.3
133.02846	4.8
134.03140	0.2
135.00755	0.7
135.04384	0.2
137.02370	0.1
139.03914	0.2
143.04930	0.3
147.00804	0.3
147.04462	0.2
148.01559	1.1
149.02351	2.1
151.00272	14.1
152.00638	0.3
153.01898	0.3
155.04883	0.1
157.06378	0.2
157.23819	0.1
159.04384	0.4
161.02303	0.3
161.05946	0.1
163.00294	2.3
163.03893	0.3
164.01050	0.6
165.01883	0.2
167.04945	0.2
169.01389	0.8
169.06557	0.2
171.04439	0.4
173.02335	0.2
173.06076	0.3
174.03215	0.4
175.02470	0.1
175.03914	2.5
176.04372	0.1
177.01831	0.3
178.99783	5.3
180.00201	0.1
183.04474	0.4
184.05072	0.1
185.06049	0.5
187.03850	0.6
189.05469	0.4
190.99797	0.3
191.03333	0.2
192.00522	0.3
193.01369	0.2
196.05371	0.1
197.05980	0.3
198.02998	0.5
199.03915	2.5
200.04472	0.1
201.01871	0.9
201.05521	0.5
203.03470	0.4
205.05005	0.2
211.03925	1.4
212.04688	0.3
213.05412	0.8
214.02570	0.2
215.03450	0.9
216.04225	0.6
217.01424	0.2
217.04988	1.5
223.03947	0.2
224.04562	0.1
226.02690	1.5
227.03465	3.2
228.03972	0.3
229.01434	0.2
229.04997	1.0
230.02420	0.1
231.03265	0.2
239.03340	0.5
240.04274	0.2
241.05034	0.8
242.02054	0.2
243.02956	9.7
244.03549	0.7
245.04471	1.4
254.02211	2.3
255.02962	26.4
256.03391	1.5
257.04623	0.6
266.02078	0.2
267.02911	0.2
271.02466	55.9
272.02933	4.1
272.28198	0.1
273.03958	1.0
283.02441	1.1
284.03308	0.6
285.04028	72.8
286.04367	4.0
286.25024	0.1
297.04117	0.4
299.02051	1.5
299.05331	0.2
300.02731	86.6
301.03455	33.1
302.03824	1.6
327.05112	0.8
343.04355	0.6
355.04242	0.2
357.06079	0.5
369.06436	0.1
433.88101	0.1
441.33691	0.1
461.07236	29.5
462.07623	2.3
489.64178	0.1
608.13770	0.2
609.14557	100.0
610.14886	9.6
610.25104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
77.87582	0.2
85.25504	0.2
88.98675	100.0
89.07708	0.2
89.99030	0.9
97.20303	0.2
97.45318	0.2
107.99654	0.2
111.19270	0.2
117.03371	1.0
119.04926	1.4
119.15856	0.2
132.02040	0.9
133.02885	0.3
134.03627	0.6
145.02838	2.2
160.01572	2.6
161.02135	0.3
163.03897	0.6
174.88167	0.2
175.03912	2.7
193.05107	0.3
350.84479	0.2
609.91663	0.2
613.57220	0.2
699.12140	0.3
747.21820	0.2
789.21503	0.2
905.24963	0.4
923.26349	0.5
965.27234	4.2
966.27637	0.8
1055.15979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
92.62029	0.5
97.18304	0.5
97.75751	0.6
104.02545	0.8
117.03341	1.8
119.04913	2.1
123.00928	0.6
125.02320	1.1
132.02063	36.2
133.02910	2.9
134.03615	10.8
135.04370	1.8
137.02303	0.8
145.02878	0.9
149.05968	1.8
153.87323	0.5
160.01561	100.0
161.02328	10.7
163.03862	1.1
174.51797	0.7
175.03914	82.3
176.04240	3.7
178.02612	2.3
179.03369	1.2
187.03917	0.9
189.05437	0.6
193.04987	10.0
194.05254	0.6
314.93411	0.6
319.08261	0.9
513.14130	1.8
596.70068	0.7
689.18860	1.1
759.21680	0.6
777.22296	2.3
801.22577	1.5
819.23438	8.3
820.23425	0.9
935.26178	8.6
936.25891	2.2
953.27307	6.9
954.27509	1.3
995.28204	81.8
996.28558	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	1067.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03842	0.5
78.86179	0.1
79.01758	0.5
83.01249	1.6
85.02824	1.3
87.00757	0.4
89.02313	5.0
93.03331	0.4
95.01251	0.5
95.32096	0.2
97.02832	0.6
99.00792	0.2
101.02320	6.4
105.03342	0.5
107.01281	0.5
109.02834	1.8
113.02325	5.7
119.03384	3.1
119.04882	0.6
121.02834	1.0
123.00781	0.3
123.04418	0.3
125.02336	1.2
131.03407	0.9
132.02023	0.4
133.02843	9.6
134.03584	0.3
135.00787	0.2
135.04417	1.1
137.02347	0.6
143.03387	1.9
145.02858	0.3
147.02998	0.2
147.04387	0.9
148.01518	0.3
149.02402	1.6
149.04448	2.1
151.00246	0.3
151.03906	0.4
161.02382	1.2
161.04460	4.8
161.05807	0.2
162.04857	0.2
163.00291	1.8
163.03925	2.9
164.01013	0.3
165.01831	1.5
171.04451	0.2
173.02383	0.5
175.00267	0.2
175.03909	2.6
177.01817	0.8
179.05533	4.5
185.02298	0.2
185.05875	0.3
189.01817	0.4
191.03465	1.4
193.01357	1.7
196.05234	0.2
198.03220	0.4
199.03964	1.0
199.07646	0.2
200.04317	0.3
201.01854	1.0
203.03445	0.5
203.05414	0.3
205.01289	0.2
211.03967	0.9
211.07425	0.2
212.04700	0.5
213.05525	1.3
215.03445	0.5
217.04997	0.4
221.04459	0.3
221.06549	1.9
224.04787	0.2
225.05556	0.6
226.02652	0.3
227.03409	0.5
227.07072	0.5
229.04991	0.4
231.06517	0.3
237.05505	0.3
239.06923	0.2
240.04269	1.0
241.05064	0.7
242.02318	0.2
243.02968	0.5
243.06598	0.3
252.04175	0.2
253.05159	1.1
254.05534	0.4
255.03044	1.0
255.06535	0.9
256.03757	0.5
257.04492	0.5
259.06097	0.2
267.06778	0.2
269.04492	1.0
270.05447	0.4
271.06128	0.5
281.04678	0.5
283.06165	0.3
284.03259	8.9
285.04016	6.4
286.04459	0.5
297.04037	14.6
298.04782	8.5
299.05582	18.5
300.05878	1.1
309.04138	0.8
311.05588	2.8
312.05798	0.3
324.02774	0.5
325.03531	1.0
327.05075	91.5
328.01517	0.4
328.05432	7.1
337.03168	0.2
339.05054	3.1
340.05191	0.3
341.06305	0.9
357.06140	22.2
358.06354	1.7
365.06491	0.2
369.06085	3.0
370.06354	0.3
379.08105	0.3
393.06033	1.0
409.09341	0.2
411.07217	0.5
429.07468	0.2
447.09293	100.0
448.09650	10.5
515.24976	0.6
533.26306	0.3
534.27496	0.2
540.19128	0.2
575.27142	0.7
619.17419	0.9
628.95807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99174	0.5
77.03804	0.2
83.01252	1.1
85.02830	1.2
91.35143	0.2
93.03349	0.2
94.85866	0.2
95.01272	0.4
95.93033	0.2
98.20559	0.5
101.69101	0.2
105.03329	0.6
107.01275	1.9
107.53994	0.2
109.02822	1.8
113.02314	1.0
115.00272	0.4
117.03345	0.2
119.04848	0.3
121.02853	0.9
125.02328	0.6
128.55109	0.2
132.02083	0.3
133.02844	8.9
134.03252	0.3
134.83023	0.2
135.04436	0.4
147.04477	0.4
147.54982	0.2
149.02344	2.3
151.00256	4.3
151.03896	0.2
161.02319	0.4
163.00270	0.4
163.03931	1.0
165.01825	0.4
169.06502	0.2
171.04498	0.2
175.03914	2.9
177.01886	0.6
179.30711	0.2
185.06015	0.5
189.01978	0.2
189.05469	0.2
191.03476	0.3
193.01212	0.3
197.05992	0.4
198.03200	0.4
199.03937	2.7
200.04355	0.2
201.01842	1.0
211.03935	0.6
212.04631	0.3
213.05522	1.0
215.03409	0.5
217.04997	1.5
223.04158	0.2
226.02690	0.2
227.03519	0.3
229.05028	0.5
239.03397	0.2
240.04213	0.5
241.05025	1.4
242.02075	0.3
243.02919	1.1
248.74754	0.2
253.05191	0.3
255.03040	0.4
256.03662	0.4
257.04596	0.5
267.02893	0.3
269.04486	0.4
271.06024	0.2
284.03271	4.8
285.04025	100.0
286.04361	5.9
297.04044	4.9
298.04782	2.8
299.02170	0.3
299.05582	5.1
300.05893	0.3
307.06693	0.8
309.03986	0.4
311.05569	0.6
313.03494	0.3
327.05078	19.8
328.05533	1.6
339.05112	1.0
357.06097	4.8
358.06644	0.3
369.06082	0.5
381.05869	0.5
399.07022	0.2
417.08411	0.2
443.06128	0.3
447.09290	10.5
448.09601	1.2
459.09262	0.6
461.06976	0.3
531.11121	0.4
552.15002	0.2
593.11450	53.9
594.11816	6.1
686.12042	0.2
1075.08972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.4
83.81039	0.3
84.19602	0.3
85.02827	0.6
89.02314	0.5
89.81821	0.3
98.19689	0.7
101.02346	0.5
107.01286	0.6
109.02847	0.4
125.02327	1.9
128.96858	0.3
134.03606	0.3
137.02301	0.4
145.02776	0.4
148.01529	0.4
151.00287	2.3
153.01941	0.4
161.02417	0.6
161.04570	0.4
164.01114	0.4
166.84116	0.3
167.80746	0.3
174.87105	0.3
175.03926	0.4
177.01852	0.6
183.04405	0.5
187.03871	0.6
199.03917	2.2
201.01822	0.4
202.02620	0.4
203.03494	0.5
215.03467	0.9
227.03418	2.3
242.02089	1.4
243.02946	15.2
244.03535	1.5
254.02127	0.7
255.02963	9.6
256.03546	0.8
257.04590	2.4
259.06281	0.4
268.10794	0.3
270.01697	2.3
271.02460	26.9
272.03104	3.2
285.04041	3.7
286.04733	1.0
287.05475	1.5
299.01944	22.8
300.02713	20.6
301.03192	1.1
314.04297	26.1
315.05078	55.7
316.05453	3.5
357.05997	0.6
373.18738	0.8
589.12903	0.4
623.16138	100.0
624.16479	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	1027.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	21.7
71.53426	9.9
73.18580	7.4
77.95075	7.6
89.02309	14.7
97.02837	9.2
99.92473	8.5
101.02325	17.3
107.24279	7.7
111.98041	7.8
113.02308	13.0
116.92730	26.8
125.02321	12.1
167.60150	7.1
171.75784	8.1
197.11743	29.3
211.13393	12.0
274.74493	7.5
277.21671	49.5
291.19623	23.5
293.21326	11.4
309.20679	100.0
313.79443	8.1
397.13495	68.6
415.14526	22.5
547.28296	8.6
622.66687	7.5
675.35583	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	1028.267
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02835	0.9
85.02816	0.8
89.22525	0.7
103.06950	0.6
117.03349	30.0
118.03739	0.8
119.04929	6.1
132.02065	30.1
133.02907	4.5
134.03632	10.9
135.04399	2.1
137.02386	0.9
143.04977	1.0
145.02853	65.5
146.03198	3.0
149.06006	2.0
160.01570	90.7
161.02354	13.8
163.03883	4.5
164.04272	0.8
173.06050	1.0
175.03928	72.3
176.04213	3.7
178.02695	2.3
179.03429	1.5
193.04968	8.9
215.46835	0.6
217.04970	0.9
483.12955	3.0
509.86108	0.7
659.17603	1.1
729.19952	1.3
747.21283	2.2
771.22113	2.0
789.22693	6.6
790.23303	1.9
819.23651	4.3
820.23883	1.1
905.24957	6.8
906.25116	1.9
923.25964	8.0
924.26129	1.8
965.27197	100.0
966.27484	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	3.5
73.02828	0.7
81.01199	0.5
81.03337	1.4
81.25172	0.6
83.01275	4.5
83.04912	0.5
85.02849	0.5
87.00747	0.8
89.02321	1.8
93.03334	1.9
95.01252	3.5
95.04900	1.8
97.02834	3.6
98.19836	1.0
99.00762	0.6
101.02335	2.8
107.04897	1.3
108.02032	0.6
109.02837	12.8
111.04416	1.5
113.02335	2.4
115.47152	0.5
119.03463	0.7
121.02826	3.0
123.00771	2.9
123.04410	1.1
124.01560	1.9
125.02337	38.5
125.09638	0.8
126.02699	0.6
133.02850	1.0
133.06517	0.7
135.04404	1.4
137.02347	24.1
137.05867	0.7
138.03021	0.6
139.03914	10.7
145.02827	0.6
147.04373	1.2
149.02370	2.3
149.05997	1.8
151.03908	2.2
155.03427	0.6
158.03619	0.7
159.04411	1.0
161.02338	2.8
161.04459	1.1
162.03152	1.2
163.00246	1.2
163.03883	0.7
164.01060	5.8
165.01840	15.4
165.03215	0.9
167.03407	9.6
173.05933	1.1
175.03932	3.4
176.01083	1.1
176.04674	0.7
177.01854	7.7
177.05441	4.5
178.02567	1.2
179.03427	11.6
181.04964	0.6
188.11075	0.5
191.03339	0.9
191.07104	1.9
193.04964	1.2
201.05507	1.5
203.03461	2.9
204.04236	2.9
207.10153	1.0
218.05647	0.7
219.06569	11.4
221.04480	6.4
223.13298	0.9
235.08185	2.0
237.07683	0.8
243.06677	0.8
247.02576	0.9
248.77570	0.5
253.09250	16.5
261.07635	3.0
263.05524	0.8
277.21716	100.0
278.22064	3.5
278.85007	0.5
287.05664	0.8
291.12448	0.5
305.06665	55.5
306.07074	3.2
309.13522	0.5
364.57886	0.5
393.14365	0.5
457.64713	0.6
495.16434	0.5
513.17981	2.5
737.39899	0.5
805.44000	1.0
859.44952	2.7
860.45477	1.0
983.47925	0.9
1009.48236	4.3
1010.48944	0.7
1027.49023	55.3
1028.49426	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22057	0.2
70.22446	0.3
71.04978	0.5
72.92628	0.1
78.04687	0.2
81.03407	5.2
84.86235	0.1
85.02888	1.1
89.03334	0.2
89.03902	5.0
91.05465	10.4
91.11331	0.1
92.05762	0.1
95.04960	0.2
97.02873	2.7
99.04438	1.1
103.05450	0.2
106.04178	0.3
109.02860	22.9
110.03214	0.3
110.71366	0.1
117.03359	13.7
118.03709	0.2
119.04921	22.2
120.05240	0.5
127.03896	11.1
134.03615	0.7
135.04379	0.9
139.03891	0.8
145.02824	34.5
146.03111	0.6
147.04384	100.0
148.04732	1.6
149.05948	4.4
158.06024	0.4
162.03125	0.2
163.03848	0.4
169.04938	3.0
177.05438	78.0
178.05782	1.4
179.03416	0.3
186.05466	1.2
187.06007	0.2
211.05966	0.2
213.05208	0.1
229.07018	1.5
255.06596	0.2
259.09644	1.1
273.07513	1.8
285.07507	0.4
289.09222	0.6
303.08588	1.1
304.70200	0.1
325.06906	0.2
342.54169	0.1
449.12173	1.5
515.30316	0.1
582.53918	0.1
661.18896	1.1
722.75183	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	1015.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52792	0.3
80.90366	0.2
84.85336	0.2
85.76859	0.2
93.03330	4.5
100.55819	0.2
105.07003	0.3
107.04882	0.4
107.08517	0.3
107.85717	0.2
108.02061	0.4
109.06459	2.2
117.03336	0.5
119.04908	39.1
120.05236	1.7
121.02853	0.2
129.06940	0.4
131.08536	1.4
133.02797	0.3
133.06482	12.1
134.06827	0.5
136.01572	0.5
137.02338	0.6
143.04866	0.3
145.02849	0.9
147.08020	0.8
149.05991	0.9
151.07555	4.7
152.07857	0.2
159.04495	0.2
161.02339	0.3
175.07556	4.3
176.01048	4.1
176.07906	0.2
177.01790	0.7
187.03934	0.5
189.09167	0.2
190.02562	0.3
191.07126	1.1
193.08685	0.7
219.06561	38.7
220.06851	2.1
222.01607	0.6
224.68907	0.2
230.56004	0.2
233.08122	2.6
237.07637	1.4
245.08182	2.5
277.21869	0.3
295.13370	0.4
297.11386	0.3
321.10684	0.2
339.12335	100.0
340.12686	10.4
397.13318	0.5
415.14929	0.3
493.24902	0.2
570.91064	0.2
695.85364	0.3
767.55902	0.2
863.89307	0.2
932.05042	0.3
945.18854	0.2
967.31671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05132	2.7
67.05498	55.4
68.70065	1.0
69.03406	2.9
69.07048	13.0
69.98811	1.1
71.03301	3.0
71.04972	2.2
73.02898	4.2
77.03907	1.2
79.00990	1.3
79.05483	35.5
80.46989	1.3
81.03392	1.1
81.07048	57.1
81.07533	2.9
81.20072	1.2
83.08616	6.9
85.02896	15.7
85.06533	2.5
91.03957	11.1
91.05463	24.0
93.07031	43.0
95.04974	5.3
95.08600	46.9
97.02897	10.0
97.06526	2.5
97.10171	3.9
99.04478	1.5
105.04532	1.1
105.07024	16.9
107.08569	21.1
109.06547	1.3
109.10147	22.9
111.08051	1.8
115.48539	1.1
117.06992	5.9
119.08582	15.6
121.10126	24.3
123.08038	2.1
123.11680	8.4
124.17860	1.1
125.09689	1.4
127.03891	4.7
129.07010	2.7
131.08540	12.4
133.10114	13.5
135.11676	14.8
137.13185	2.8
145.04932	4.8
145.10114	9.6
147.11661	11.0
149.13232	9.8
151.14926	1.3
157.10150	2.5
159.11685	10.9
161.13243	9.3
162.30708	1.3
163.05951	7.7
163.14792	5.2
169.10152	1.2
171.11703	3.8
173.13248	6.8
175.14824	2.6
177.16451	2.2
185.13229	2.0
187.14781	4.6
199.14824	2.0
201.16409	2.0
209.77626	1.5
231.21014	2.4
232.24954	1.2
241.19502	4.2
243.21103	5.0
245.22852	1.4
246.53983	1.3
259.20541	9.0
261.22128	20.3
263.23666	2.8
281.25000	1.3
285.22025	1.7
308.63086	1.4
315.23215	1.5
317.24686	3.9
318.60910	1.4
327.26715	1.2
333.24216	9.2
335.25751	100.0
336.25943	2.4
337.27328	12.7
443.05930	1.2
503.03796	1.4
521.43524	2.7
539.44556	1.2
595.47192	16.2
613.48291	22.3
646.84613	1.4
702.72052	1.3
763.71808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	3.3
69.03414	1.4
69.87656	4.2
70.06577	1.7
76.94947	0.8
79.05481	1.8
81.03419	1.9
82.06575	0.9
85.02887	1.8
91.05470	2.2
93.07035	3.5
94.06550	5.2
95.04951	1.2
95.07314	3.7
95.08628	0.9
96.08108	4.9
97.02911	1.1
97.06527	1.5
98.21461	0.9
105.07014	0.9
107.07310	1.1
108.04474	2.2
108.08123	7.1
109.02869	2.0
110.09668	11.1
117.03371	1.3
119.04915	1.0
120.08093	7.3
122.06020	7.6
127.03871	0.8
132.04478	1.0
134.06012	1.5
136.07541	5.8
138.09114	16.6
145.02831	2.0
147.04402	1.5
148.07533	4.3
150.09085	4.0
152.07083	2.4
160.03905	7.9
160.07597	1.0
163.03940	0.7
164.07030	4.1
166.08617	26.7
168.10207	0.9
175.03987	1.1
177.05453	2.8
178.04855	1.1
190.05013	1.3
192.06686	0.9
199.08641	1.4
204.06535	1.2
211.08730	1.8
211.12350	1.3
212.09306	0.9
213.10274	2.7
221.10692	1.0
222.11551	0.8
223.08658	3.4
223.12260	1.5
225.10217	10.5
225.13722	1.0
226.10999	4.1
227.11780	3.8
228.22296	1.0
229.13434	0.9
235.08591	1.0
235.12344	1.3
237.10220	5.2
237.13913	2.2
238.10989	3.4
239.08186	4.5
239.11751	13.2
240.12578	3.5
241.13458	1.2
247.12405	1.1
248.09357	2.0
249.10191	3.4
250.11026	6.1
251.08244	2.3
251.11742	14.9
252.08931	1.4
252.12581	3.6
253.09763	4.6
253.13336	10.1
254.10417	11.0
255.11353	1.1
255.14751	0.9
257.12900	0.9
263.11771	10.4
264.08887	1.2
264.09766	1.2
264.12555	7.3
265.09744	4.0
265.13364	20.6
266.10553	3.1
266.13998	1.5
267.11292	8.3
267.14795	2.1
269.13010	1.4
271.10739	2.0
271.13928	0.7
275.11780	1.0
277.09763	2.3
278.10583	1.7
279.11261	7.2
280.12015	1.7
281.12814	12.5
282.13684	2.2
283.10800	4.5
283.14392	3.7
284.11423	1.2
285.12311	9.9
286.12982	1.1
287.05679	0.9
291.11404	4.0
291.14337	0.9
292.11926	1.2
293.12729	6.8
294.10126	1.0
294.13596	2.1
295.10834	3.4
295.14218	1.3
296.11487	5.1
297.12320	7.8
298.13159	1.9
299.13821	11.8
307.10608	1.3
309.12308	63.3
310.12851	6.0
311.13834	21.3
313.11792	1.4
313.15372	1.1
319.10751	1.8
321.12372	5.8
323.10263	1.0
324.11029	1.3
325.11823	2.4
326.12659	1.5
327.13354	78.3
328.13605	3.7
337.11786	13.3
338.12512	5.0
339.13370	11.0
341.14975	5.2
344.13504	1.2
353.15030	1.1
357.14441	3.4
358.15295	2.5
359.15933	7.0
369.14426	33.3
369.19138	1.8
370.15042	2.3
371.11218	1.6
371.15979	30.7
372.16577	2.5
399.63852	0.8
402.18106	0.9
404.19690	2.6
413.17090	0.9
414.18350	1.0
416.19714	4.6
430.17737	1.9
432.19083	9.7
442.17444	1.5
446.20810	1.2
448.18567	17.7
453.16696	1.5
460.18607	28.1
461.18777	1.2
471.17453	1.3
473.19437	1.0
474.20230	2.7
478.19662	1.3
480.21246	46.5
481.21762	1.0
492.21243	100.0
493.21442	4.1
522.22284	1.3
523.22589	1.5
524.23767	2.8
569.27655	1.9
588.23816	0.9
594.24091	1.2
595.25714	5.8
606.24219	2.3
613.26514	46.9
614.26428	2.9
618.24371	1.2
622.24298	1.1
624.25250	2.6
627.27783	4.3
636.07776	0.8
636.25531	4.0
645.29077	26.1
646.28961	1.5
654.26331	2.0
685.28113	1.1
721.29529	0.9
725.31470	1.3
729.31934	1.0
739.29523	0.9
753.31421	1.3
757.30127	2.0
771.31976	1.4
775.31329	1.0
789.33099	1.8
844.76904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	21.9
70.25696	4.6
70.70412	6.1
70.70761	9.1
73.02907	4.6
79.05487	82.4
81.07047	90.2
83.08601	15.0
85.02916	21.8
86.40361	5.1
91.03942	11.4
91.05475	72.4
93.07034	82.1
95.04950	14.6
95.08591	72.3
97.02901	7.5
98.37524	4.4
101.40409	5.2
105.07019	84.1
107.08566	54.3
109.10166	25.1
117.07008	20.6
119.08568	60.4
121.10109	43.8
123.11694	9.1
127.03911	7.5
129.06995	9.3
131.08580	29.7
133.10110	50.6
135.11681	26.8
143.08546	17.9
145.10106	32.6
147.11678	47.8
149.13222	17.8
157.10077	11.0
159.11649	22.6
161.13239	27.8
163.06023	9.9
163.14731	6.0
169.10152	4.5
171.11664	11.6
173.13254	14.4
175.14813	11.4
185.13293	9.4
187.14867	8.3
199.14767	9.4
208.49159	4.7
239.18033	5.1
241.19510	14.8
257.18878	9.8
259.20547	65.0
261.22083	13.1
279.28299	4.6
315.23212	4.7
333.24161	53.7
335.25735	74.3
336.26086	8.3
337.27527	7.1
469.58386	5.3
519.41742	11.3
536.35724	5.8
543.69879	5.0
593.45264	15.1
611.46619	100.0
970.62506	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	949.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05140	2.3
67.05497	45.2
69.03401	8.3
69.07055	13.1
69.20225	5.4
69.20644	16.2
71.04971	3.6
73.02914	4.2
79.05483	45.1
81.03397	5.0
81.07045	62.8
83.04947	5.6
83.08624	11.4
85.02895	17.7
91.03938	9.4
91.05470	50.5
93.07030	41.3
95.04934	9.4
95.08591	35.9
97.02875	11.6
97.06514	7.4
97.10143	3.6
99.04394	1.7
103.05466	4.4
105.07019	38.9
107.04903	4.9
107.08578	24.2
109.06512	10.2
109.10106	15.6
109.35883	1.8
111.08038	3.8
115.05432	5.1
116.06255	2.3
117.06996	33.4
117.07766	3.6
119.04904	4.5
119.08570	27.5
121.06482	6.4
121.10119	16.2
123.08057	5.4
123.11673	2.2
125.09571	2.8
127.03880	3.4
128.06195	8.2
129.06996	19.7
130.07730	3.0
131.08553	37.5
133.06494	11.4
133.10103	17.4
135.08051	7.3
135.11687	10.4
137.09584	4.3
141.06975	5.6
142.07855	4.5
143.08536	32.5
145.04913	2.4
145.06476	2.2
145.10109	40.5
146.07201	2.1
147.08020	9.3
147.11726	9.3
149.09557	5.3
149.13234	6.3
151.07498	2.8
151.11223	2.3
154.07704	3.1
155.08528	7.7
157.10109	18.1
159.08012	4.9
159.11658	23.2
161.09621	11.6
161.13249	6.6
163.06067	4.6
163.11142	7.4
167.08551	3.8
169.10138	9.7
171.08000	2.2
171.11682	13.5
173.09624	5.2
173.13202	5.6
175.11182	11.5
177.12717	7.7
181.10106	6.0
183.11650	4.5
185.09669	1.9
185.13222	6.9
187.11090	2.0
187.14799	3.5
189.12712	3.4
191.10614	1.8
195.11682	8.0
197.13235	4.0
201.12582	1.9
203.14235	1.8
209.13155	3.0
211.14803	2.6
213.12778	2.5
215.14384	2.6
227.17873	8.4
237.16277	10.1
245.18968	8.4
255.17386	21.5
261.22061	5.5
271.16806	2.4
272.48718	1.9
273.18469	96.0
274.18701	2.5
291.19531	3.6
299.20349	2.0
329.21097	2.3
335.25757	100.0
336.26105	3.0
347.22110	44.3
347.26147	3.7
399.21600	2.4
435.23810	2.6
553.50720	1.9
607.43475	70.9
607.53143	4.4
608.43756	3.8
625.44617	27.6
715.45569	3.1
764.03271	2.0
769.48669	3.2
787.48987	5.4
816.89215	2.0
898.32715	2.3
922.14142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03393	5.3
69.07045	26.5
71.53828	5.0
71.54181	4.2
79.05485	58.1
81.07047	78.8
83.04977	5.5
83.08582	14.9
85.02906	18.2
91.05470	54.8
93.07021	64.3
95.04944	10.7
95.08601	65.4
97.02873	5.4
97.06497	7.6
97.10132	6.0
99.08043	3.6
100.01431	4.3
105.07018	39.5
107.08570	44.4
109.10122	32.0
110.46013	3.0
117.07002	13.0
119.08553	31.8
121.10139	25.2
123.11700	4.5
125.09535	5.9
129.07004	6.2
130.49889	4.2
131.08540	16.1
133.10118	19.9
135.11702	18.4
137.09570	3.6
143.08504	4.2
145.04955	3.8
145.10068	10.2
147.11693	21.9
149.13219	8.7
157.10088	4.9
159.11635	10.6
161.13229	11.5
163.05984	5.2
163.14732	5.5
171.11684	6.1
173.13208	8.4
175.14816	4.5
185.13197	7.5
187.14880	4.7
200.78017	3.8
241.19453	5.7
257.19345	3.4
259.20465	20.6
261.22037	7.1
274.56717	3.3
277.21637	18.8
319.62518	3.9
333.24091	9.0
335.25745	100.0
336.26273	4.6
351.25266	35.5
593.45038	4.7
611.46619	50.9
666.42334	3.9
931.70416	4.4
970.58423	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	942.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01857	0.3
69.03420	0.5
69.77556	0.6
71.04990	0.1
78.04713	0.3
81.03415	1.4
85.02902	0.3
89.03907	4.4
91.05471	9.7
92.05818	0.1
93.07052	0.1
95.04960	0.1
97.02873	0.8
99.04452	0.3
103.05516	0.1
106.04160	0.1
107.04922	0.1
108.04542	0.1
109.02870	4.7
117.03368	12.6
118.03679	0.2
119.04929	22.1
120.05252	0.3
121.06472	0.1
124.05186	0.2
127.03912	1.7
134.03606	0.9
135.04416	0.9
137.05922	0.1
139.03918	0.1
145.02834	33.6
146.03130	0.6
147.04393	100.0
148.04735	1.6
149.04774	0.2
149.05962	4.0
158.05977	0.3
162.03116	0.1
163.03909	0.3
177.05450	78.1
178.05765	1.1
179.03374	0.2
186.05472	1.8
187.05975	0.4
195.06537	0.1
222.27834	0.1
229.07077	0.1
247.08093	0.1
252.55882	0.1
259.09613	1.2
273.07544	1.6
285.07611	0.2
303.08630	0.9
338.65369	0.1
449.12259	1.7
484.18359	0.1
538.02191	0.1
661.19208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	41.4
69.03432	5.2
69.07060	10.6
69.65618	3.0
69.66032	2.6
71.04972	1.9
72.44920	0.9
73.02898	3.2
79.05483	37.9
81.03407	2.5
81.07045	43.2
83.04958	3.0
83.08617	7.7
85.02898	9.1
85.06541	1.6
91.03935	5.0
91.05468	43.5
93.07034	35.7
93.07631	1.5
95.04955	6.9
95.08595	33.1
97.02877	8.2
97.06501	6.4
97.10143	2.9
99.04376	1.1
99.08069	0.9
103.05468	1.1
105.04517	1.3
105.07013	31.0
107.04949	3.3
107.08572	15.6
109.02840	1.2
109.06495	9.8
109.10127	8.4
111.08053	3.4
115.05443	3.0
116.06222	1.8
117.06225	1.6
117.07001	20.3
119.04964	0.9
119.07712	1.2
119.08557	20.4
121.06484	5.7
121.10113	11.4
123.04476	0.9
123.08060	6.4
123.11694	2.8
125.05978	1.3
125.09613	2.5
127.03906	1.6
128.06190	9.8
129.06984	13.0
130.07741	3.3
131.08543	33.7
133.06468	10.3
133.10110	14.0
135.08009	4.1
135.11691	6.9
137.09560	2.1
139.11162	1.1
141.06963	5.2
142.07764	2.5
143.08540	30.0
144.09236	1.0
145.04999	1.1
145.06500	2.5
145.10097	32.2
147.08025	10.7
147.11690	6.7
149.09605	3.5
149.13191	4.3
151.07532	2.1
151.11176	2.4
153.07002	1.2
154.07693	1.3
155.08540	3.9
157.10110	10.4
159.08028	3.2
159.11674	16.2
161.09586	10.8
161.13266	2.6
163.05939	1.3
163.11119	4.9
165.06996	1.9
165.12724	1.4
167.08589	1.9
169.10098	7.9
171.08054	1.2
171.11687	8.7
173.09619	4.0
173.13277	3.3
175.11169	5.4
177.12721	7.5
181.10075	5.7
182.10655	1.0
183.11661	3.3
185.09596	2.2
185.13239	3.7
187.11150	1.8
187.14789	0.9
189.12715	1.1
195.11609	9.3
199.14790	1.9
201.12772	1.2
209.13232	1.5
213.12782	1.6
227.17902	3.8
237.16338	8.4
243.21054	1.3
245.18968	3.5
255.17404	18.9
261.22119	3.8
271.16959	1.0
273.18457	53.1
274.18741	1.3
291.19547	2.5
329.21039	4.5
335.25754	100.0
336.26114	3.3
347.22144	25.8
350.36179	0.9
399.21442	1.5
417.22549	1.4
435.23447	1.5
589.42426	1.2
607.43457	69.5
608.43811	4.9
625.44714	9.8
769.48511	1.4
787.49750	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	932.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	33.2
69.03415	2.6
69.07063	8.5
69.33794	10.5
71.08624	18.6
73.02917	3.7
79.05484	15.9
81.07048	38.5
83.08598	9.2
85.02888	13.2
85.10165	11.7
91.03947	9.8
91.05452	10.1
93.07030	21.9
95.04958	2.0
95.08595	38.9
95.09179	2.4
97.02876	7.6
97.10167	5.4
98.20706	2.8
105.06998	5.9
107.08575	13.9
109.10144	19.0
117.07008	3.7
119.08563	8.5
121.10126	10.9
123.11707	7.3
127.03915	4.2
131.08572	5.6
131.09529	1.4
132.25206	1.5
133.10085	6.3
135.11661	10.2
137.13255	3.6
143.52515	1.2
145.04933	5.8
145.10120	5.7
147.11687	4.2
149.13203	7.2
159.11705	5.1
161.13261	2.8
163.06015	5.7
163.14847	4.2
173.13283	4.4
177.16376	1.3
186.07024	1.2
187.14853	2.4
225.08304	1.3
239.23665	3.9
243.21060	9.8
261.22110	42.8
313.27316	100.0
314.27774	1.8
317.24677	5.2
335.25763	84.4
336.25989	2.0
346.27020	1.3
478.20993	1.3
503.35828	1.3
512.40820	1.3
517.46002	1.6
573.48669	41.9
574.48737	2.8
591.50000	7.2
614.61481	1.5
812.21667	1.4
931.38678	1.5
944.83417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.7
67.05498	52.1
69.03410	3.2
69.07059	12.4
71.01326	2.2
71.04987	4.4
71.08597	1.5
71.26390	1.6
71.26735	0.8
73.02897	3.4
77.03877	1.1
77.97430	0.9
79.05486	39.1
81.03407	12.3
81.07045	46.6
82.07372	1.0
83.01340	2.1
83.04965	15.6
83.08597	8.6
85.02898	15.4
85.06528	2.5
91.03937	8.2
91.05469	25.6
93.07031	47.8
94.07356	1.3
95.04971	7.8
95.08596	34.0
95.63642	1.0
97.02876	11.3
97.06524	8.9
97.10141	4.2
99.04452	2.8
99.08066	1.7
103.05447	1.3
105.07016	14.0
107.04926	6.7
107.07952	0.8
107.08572	23.3
109.02876	0.9
109.06501	3.4
109.09377	1.2
109.10140	20.4
111.04430	20.9
111.08056	8.7
113.05985	1.4
113.23058	0.9
116.70539	0.9
117.06992	9.2
119.08554	16.6
121.06499	4.3
121.10134	28.5
123.04443	1.4
123.08042	3.0
123.11678	3.1
125.09615	2.8
127.03894	3.1
128.06184	0.9
129.06966	3.3
131.08553	12.9
133.10112	9.3
135.08009	2.4
135.11673	24.8
135.12709	1.2
137.09561	1.9
138.44955	0.9
139.11154	2.2
143.08527	2.6
145.04915	3.0
145.06506	1.1
145.10106	18.3
147.08005	2.8
147.11687	7.0
149.09596	3.8
149.13231	4.4
151.11166	1.5
153.12715	16.5
155.08505	2.7
157.10095	1.5
159.11665	5.3
160.12009	1.1
161.13206	4.1
163.06006	3.9
163.11159	29.2
163.14812	2.6
167.39848	0.8
171.11717	1.1
173.09607	5.5
173.11838	1.3
173.13142	4.2
175.14742	1.1
181.12210	18.5
185.13205	1.2
187.14763	2.1
191.10645	15.3
201.16283	1.1
209.11684	16.5
209.13625	1.2
217.83987	0.9
227.12733	20.3
243.21002	3.6
245.13820	2.8
259.20602	1.8
261.22086	13.6
265.14310	2.7
267.15747	1.0
283.15356	46.2
285.17105	1.1
289.21869	0.9
299.23499	1.4
301.16428	53.8
302.16415	1.1
317.24686	3.2
333.24139	2.1
335.25754	79.0
336.26099	3.3
415.29608	1.1
433.30707	1.8
445.20703	1.1
451.32022	2.6
469.32986	2.9
487.34082	2.0
525.35724	8.9
543.36761	49.9
544.37140	2.4
552.64465	0.9
561.37781	100.0
562.38519	4.4
579.38739	1.3
705.41327	3.2
736.92218	1.1
749.40326	0.9
852.65472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.3
66.91969	1.0
67.05497	60.6
69.03419	3.3
69.07059	16.2
69.77856	4.6
69.78261	1.6
71.04983	3.6
72.96741	0.9
73.02908	3.8
79.05484	44.4
81.03409	81.3
81.07045	61.8
83.04964	5.6
83.08610	21.3
85.02895	10.3
85.06544	2.2
91.03957	6.9
91.05469	33.4
93.07033	51.0
95.04955	29.6
95.06918	1.3
95.07974	2.4
95.08593	48.9
97.02879	7.8
97.06499	6.6
97.10146	6.9
97.95287	1.2
98.20798	1.3
98.96908	1.0
99.04430	1.5
99.08105	1.6
103.03909	1.1
105.06313	1.3
105.07016	29.6
107.04957	6.1
107.08578	32.3
109.06512	4.8
109.10138	21.5
109.10836	1.6
111.04414	2.0
111.08079	7.6
115.05447	1.5
117.07003	8.9
119.04906	1.2
119.08563	25.9
121.06485	3.4
121.10122	24.8
122.10450	1.7
122.32829	1.1
123.04449	2.6
123.08076	3.7
123.11690	8.9
125.09641	5.4
127.03920	3.3
129.07002	9.2
131.08548	21.0
133.06480	3.4
133.10101	16.5
135.08084	2.2
135.11681	15.5
137.09648	2.4
137.13278	3.3
139.11180	1.9
142.07738	2.3
143.08566	2.8
145.04939	4.1
145.10100	12.3
147.08040	3.7
147.11667	13.9
148.56839	1.0
149.09555	5.7
149.13251	8.3
151.11128	1.2
155.08595	1.5
157.10118	10.9
159.11667	9.1
159.89246	1.2
161.09651	1.4
161.13242	6.2
163.06013	4.5
163.11182	3.0
163.14804	3.5
165.12729	2.3
168.06541	1.3
169.10188	1.9
171.11682	3.5
173.13202	8.2
173.35707	1.0
175.11192	8.2
175.14827	2.8
177.12706	1.4
177.16324	1.7
185.13199	1.8
187.14818	5.5
189.11238	3.6
193.12207	19.4
197.13277	1.9
199.14821	1.9
205.12332	1.1
211.13274	2.0
223.13086	1.6
225.16418	1.1
227.12785	8.9
229.14418	1.2
235.13225	4.2
243.21078	5.6
249.14919	1.2
259.13272	1.8
259.20685	1.2
261.22092	20.4
262.22220	1.1
267.15881	100.0
268.16229	1.8
273.73206	1.3
279.23227	2.2
285.16891	2.5
299.23788	1.8
301.14236	1.9
301.25226	8.0
309.16983	5.1
317.24722	3.8
333.24286	2.3
335.25751	96.4
336.26117	4.8
337.27148	2.2
353.27139	1.1
359.25531	1.3
361.66397	1.3
363.25107	1.4
384.47202	1.3
395.06607	1.1
417.31613	1.7
421.25699	3.0
435.27258	2.0
435.32431	6.7
449.29019	1.2
453.33621	10.4
459.31033	1.1
471.34946	6.5
509.12289	1.2
509.36224	2.6
527.37274	75.1
528.37622	2.9
544.36682	1.4
545.38293	83.2
546.38147	2.2
563.39264	6.3
569.38226	10.9
587.38885	1.2
611.39624	1.9
623.39014	2.5
635.39270	2.9
653.40247	3.0
671.40778	2.9
689.41534	1.2
770.47626	1.3
957.99561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84168	0.2
69.03381	0.9
71.04978	8.7
71.52512	0.3
73.02871	0.7
75.04439	0.6
81.03367	0.6
83.04970	2.2
85.02891	15.3
87.04424	0.5
91.00455	0.2
95.04919	0.4
97.02863	1.2
99.04426	0.3
108.66891	0.2
109.02847	0.6
109.37828	0.2
111.00771	0.4
111.04433	1.5
113.62428	0.2
117.05436	0.5
121.02831	0.4
123.04293	0.2
127.03883	0.8
129.05466	4.1
135.04404	0.4
137.02298	1.9
137.05882	0.2
145.04889	0.6
147.06516	1.4
153.01790	1.8
153.05418	0.3
163.03934	0.5
163.05942	0.3
165.01871	1.1
165.39413	0.3
166.02512	0.3
173.05887	0.3
179.06795	0.2
181.04893	0.4
183.02843	0.4
195.02818	0.3
201.05377	1.0
213.05540	0.3
213.07571	0.3
229.04895	2.6
234.98973	0.4
247.05946	0.9
257.04340	1.6
258.04465	0.2
285.03928	1.0
303.04932	100.0
304.05292	3.3
315.04880	0.7
327.04800	0.3
345.05930	1.8
369.05963	0.7
395.07559	0.3
413.08340	0.5
431.09875	0.5
449.10739	1.5
465.10223	32.3
466.10526	1.4
515.12482	0.3
520.03784	0.3
564.23535	0.3
611.15887	1.0
627.15448	1.2
717.90564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.7
67.05499	48.5
69.03419	3.9
69.07062	9.9
69.23590	6.4
71.01330	1.4
71.04989	3.1
71.08630	0.8
73.02901	3.7
73.10373	0.5
74.03186	0.5
75.13223	0.5
79.05485	33.2
81.02988	0.7
81.03410	7.1
81.07047	48.1
83.04973	3.4
83.08149	0.9
83.08610	12.7
85.02435	0.9
85.02895	10.8
85.06519	1.3
91.03951	6.8
91.05471	34.4
93.07034	43.6
95.01321	3.0
95.04957	7.7
95.08598	35.6
97.02878	10.1
97.06530	4.0
97.10159	3.0
99.00809	12.3
99.04420	2.0
99.08063	1.4
103.05470	1.4
105.04541	0.8
105.07019	24.9
107.04937	6.2
107.08585	24.2
109.02231	0.8
109.02877	8.8
109.06519	4.3
109.10145	17.5
111.04412	1.3
111.08073	3.8
114.48004	0.5
115.03905	3.0
115.05447	1.3
117.07003	6.6
119.04926	1.2
119.08567	18.0
121.02880	1.1
121.06486	6.4
121.10137	17.8
123.04391	1.9
123.08018	2.6
123.11691	8.0
125.02307	1.1
125.09592	2.0
127.03909	4.7
128.06203	1.4
129.06978	2.6
131.08539	10.9
133.06451	2.0
133.10117	35.3
134.10422	0.7
135.04393	0.9
135.08057	2.7
135.11670	11.9
137.05949	1.7
137.09590	1.5
137.13249	1.6
139.07526	2.5
139.11151	0.6
141.01866	0.8
143.08545	5.5
145.04907	3.0
145.06503	1.1
145.10120	8.7
147.04370	0.9
147.08017	1.4
147.11665	6.3
149.09584	1.8
149.13249	6.3
151.03896	1.8
151.11168	9.0
155.08557	0.8
157.10110	2.6
158.81915	0.6
159.11694	6.5
161.05812	0.7
161.09610	14.8
161.13249	3.8
163.06038	3.1
163.07394	0.5
163.11186	1.8
163.14793	3.9
165.09114	1.0
165.12749	0.7
167.08476	0.8
169.10063	1.3
171.08006	3.5
171.11681	1.4
173.09604	0.8
173.13225	6.1
175.11147	2.1
175.14803	2.2
177.12717	0.9
177.16391	1.3
179.10635	8.0
183.11658	0.7
185.13257	1.0
187.11086	1.4
187.14798	2.2
189.09087	6.9
189.10887	0.8
189.12825	0.8
191.14372	0.7
193.12204	1.7
197.11696	2.5
197.13225	0.7
199.14772	0.8
201.16408	1.4
207.10065	3.3
207.13745	0.7
223.14928	0.6
225.09052	0.9
225.11191	11.6
227.12802	1.2
241.19447	0.7
243.12265	2.6
243.21078	6.6
259.20660	1.1
261.22131	21.4
267.15875	2.1
277.21591	1.2
279.19830	0.5
279.23184	1.0
281.13873	3.6
287.23828	0.8
299.14859	85.9
300.15167	2.1
315.22900	2.8
317.24768	3.4
333.24237	1.1
335.25766	100.0
336.26083	2.6
351.14368	3.2
415.79468	0.7
421.30963	1.3
425.17969	2.0
431.29984	0.7
443.19119	3.8
449.30350	2.4
457.33054	0.6
467.31546	5.3
485.32388	3.9
513.35541	3.7
515.37000	1.7
523.34399	0.9
527.37061	3.3
531.36938	3.8
541.35107	14.2
545.38574	1.3
559.36243	60.4
560.36365	2.4
577.37103	2.8
593.34705	0.7
611.36121	1.4
629.36493	1.1
649.36926	0.6
667.37915	1.5
685.39484	5.3
703.40399	9.6
721.41119	4.3
818.26471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.3
67.05496	54.5
68.05793	1.0
69.03416	2.8
69.06722	1.4
69.07059	12.8
69.41475	0.8
70.07373	0.9
70.65674	2.4
71.01338	2.1
71.04982	2.5
72.25965	0.9
73.02886	2.8
77.03928	0.9
79.05481	38.9
81.03399	11.6
81.07043	56.7
83.04948	4.4
83.08618	10.6
85.02895	10.3
85.06524	2.5
87.04430	1.0
91.03932	6.2
91.05466	32.6
93.07030	43.1
94.07319	0.8
94.38187	0.9
95.01324	5.8
95.04951	9.7
95.08592	37.4
97.02877	9.0
97.06516	4.9
97.10157	4.7
99.00812	10.8
99.08079	2.0
101.02390	1.7
103.05450	1.4
105.07019	25.6
107.04945	9.8
107.08577	26.9
109.02853	8.8
109.06512	4.7
109.10140	21.3
111.00820	1.2
111.04463	2.0
111.08067	3.5
115.03899	2.3
115.05433	1.9
117.07003	9.1
119.04951	2.1
119.07712	1.1
119.08562	19.1
120.08995	0.9
121.02835	1.9
121.06501	9.7
121.10131	17.4
123.04414	5.7
123.08046	2.2
123.11685	6.7
125.02324	2.0
125.09601	3.3
127.03911	5.3
128.06221	1.9
129.06984	5.9
131.04913	3.9
131.08553	17.3
133.06487	3.0
133.10107	32.3
135.03462	1.3
135.04361	5.6
135.08011	4.0
135.11667	11.8
137.02304	1.0
137.05948	2.4
137.09608	3.3
137.13188	0.9
139.03844	1.9
139.11163	1.1
141.01801	2.3
141.06947	2.1
143.08575	5.8
145.04886	2.1
145.06450	2.6
145.10110	10.6
147.04414	6.5
147.08043	3.5
147.11647	9.4
149.05969	2.6
149.09604	2.4
149.13263	5.0
151.03888	4.6
151.11186	7.1
151.14793	1.1
153.07039	0.9
155.08519	2.9
156.09322	1.0
157.06400	1.1
157.10124	5.6
159.08020	2.0
159.11678	7.6
161.05984	2.4
161.09592	13.9
161.13243	6.5
163.03867	4.2
163.06009	2.0
163.11153	2.7
163.14835	2.7
165.09140	0.9
165.12828	0.9
167.08426	1.4
169.04977	2.5
169.10106	3.6
171.08069	3.9
171.11694	3.3
173.05949	1.6
173.09528	1.2
173.11768	2.1
173.13258	6.2
175.03891	3.4
175.11166	3.6
175.14813	2.0
177.05428	1.7
177.12712	1.8
177.16360	1.0
179.03368	1.5
179.10646	6.5
181.04984	1.2
183.11630	2.2
185.09656	1.4
185.13232	2.4
187.11189	3.0
187.14836	2.1
189.05417	1.1
189.09113	6.6
189.11079	1.1
189.12756	1.0
191.03419	2.0
192.03862	0.9
193.04930	1.1
193.12227	3.5
195.11719	1.3
197.09654	1.9
197.11699	2.3
199.11182	1.8
199.14882	1.4
201.05446	1.3
201.12811	1.3
203.10664	1.6
205.12270	2.6
207.10117	2.1
207.13785	1.2
211.11334	0.9
211.13309	2.3
213.12820	1.3
215.10667	1.6
217.04968	1.1
217.12201	2.3
223.11191	1.2
225.09109	2.0
225.11076	9.4
227.10703	1.6
227.12750	1.1
231.10089	1.1
233.11746	2.1
235.13156	1.3
241.12170	1.5
243.10187	2.1
243.12256	2.7
243.21071	5.6
245.11650	2.4
248.04593	0.9
251.10478	1.3
251.12845	2.2
255.10030	1.0
259.13190	2.3
259.20557	1.3
261.11240	2.7
261.22101	16.3
263.12823	1.4
267.15991	1.3
269.11755	2.8
271.13205	2.3
276.98694	0.9
277.14273	1.7
277.21692	1.1
279.23148	1.5
281.13797	3.5
287.12744	8.3
287.23447	1.1
289.14310	4.5
297.13553	1.6
299.14847	78.7
300.15186	1.5
305.13754	4.1
315.12119	5.2
315.23117	2.6
317.24750	2.4
323.15112	1.3
333.13284	10.3
333.16916	1.4
333.24203	1.5
335.25751	100.0
336.25961	6.5
351.14386	11.1
353.15808	1.3
353.26572	1.1
363.17941	1.1
369.15421	2.3
407.16940	11.0
425.17978	11.4
443.19113	13.7
449.30264	1.6
467.31451	3.5
481.71872	1.0
485.32516	2.5
513.35541	3.1
515.37067	1.8
527.37244	4.5
541.35217	8.3
545.38013	2.9
559.27472	1.4
559.36182	27.3
560.36261	1.4
565.34949	1.1
575.33728	1.1
577.37048	3.4
607.36517	1.1
611.35638	2.1
615.96979	1.0
623.39124	3.8
625.37250	1.4
629.36804	1.5
631.37598	2.2
641.40466	1.6
649.37384	1.7
659.41370	1.2
667.38269	24.4
668.38611	1.5
682.92969	0.9
685.39337	31.0
686.39386	2.5
702.39740	1.1
703.40295	42.9
704.40143	2.7
721.41394	5.3
847.44055	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	918.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	15.3
69.03419	3.2
69.07054	3.9
70.06592	0.9
71.04990	3.0
71.52672	1.5
73.02896	1.0
79.05480	14.0
81.03411	42.0
81.07046	14.5
83.04971	3.4
83.08610	12.7
85.02891	1.8
85.06506	0.8
89.11107	1.0
91.05481	15.5
93.07047	10.5
95.04954	17.3
95.08611	7.3
97.02879	3.2
97.06544	2.2
97.10159	13.1
105.07016	9.7
107.04939	11.5
107.08572	8.8
109.02868	1.5
109.06509	6.5
109.10146	4.6
111.04420	2.0
111.08109	4.5
117.07027	3.6
119.04932	3.8
119.08580	9.6
120.08983	1.3
121.06505	8.1
121.10142	6.4
123.04352	2.2
123.08056	3.5
123.43763	0.9
125.09642	11.2
127.03857	1.6
129.06996	6.1
131.04930	2.3
131.08556	8.0
132.66693	0.9
133.06459	3.4
133.10117	4.4
135.04457	1.0
135.08038	5.1
135.11731	1.4
137.05995	1.4
139.03920	1.8
141.06964	1.1
142.07730	1.0
143.08560	1.5
145.02861	2.8
145.06480	3.8
145.10043	2.3
147.04393	11.0
147.08038	3.6
147.11671	5.0
149.05956	0.9
149.09625	3.8
153.09122	3.7
155.08527	1.9
157.10139	5.9
159.08000	1.7
161.09644	1.7
163.11183	3.9
167.08493	1.4
167.10652	1.6
169.10165	1.1
171.11670	1.7
173.09592	1.8
175.11157	5.1
177.05490	6.2
177.12650	1.1
178.08603	0.9
183.11729	1.1
189.11198	4.8
189.12694	1.5
193.12210	12.6
197.13242	1.7
199.11081	1.0
199.13232	1.2
205.12204	1.4
211.13268	1.6
215.14256	2.5
219.13806	2.2
227.12608	1.8
233.15305	4.5
235.13420	1.4
237.12796	1.2
243.13687	1.3
245.15335	1.1
255.13741	2.0
259.13351	1.8
267.13000	2.1
267.15887	44.2
268.16254	1.4
273.14755	6.0
275.16440	1.4
293.17316	1.1
309.17044	1.2
339.23218	2.3
349.21646	3.0
357.24231	1.4
357.33557	1.1
367.22614	11.6
385.23737	14.4
403.24887	5.1
441.26303	10.3
459.27374	100.0
460.27600	3.9
477.28442	87.3
478.28690	2.7
491.30023	11.4
501.28186	6.2
509.31076	5.0
513.28949	1.0
531.29846	1.5
543.29279	1.2
555.29993	1.3
567.29352	4.8
580.65234	1.0
581.88531	1.0
585.30133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.9
67.05496	25.8
69.03419	3.4
69.07059	7.0
69.47470	2.5
69.47893	0.9
71.04975	2.9
73.02917	1.6
79.05482	22.3
80.05821	0.5
81.03406	32.4
81.07043	29.6
82.07382	0.6
82.34154	0.4
83.04964	7.4
83.08607	13.5
85.02895	15.5
85.06526	1.5
87.04449	0.5
91.03948	3.5
91.05468	19.3
92.05746	0.6
93.07028	22.1
94.07369	0.6
95.04950	14.0
95.08594	19.1
96.08929	0.8
97.02877	4.0
97.06513	2.7
97.10136	3.1
99.04447	0.9
103.05477	0.7
105.04513	0.6
105.07013	16.8
107.04945	2.4
107.08571	11.6
109.06493	2.4
109.10139	7.0
111.04429	1.0
111.08060	5.9
113.06010	1.2
115.05421	0.9
117.06956	2.3
119.04927	0.5
119.08562	11.4
121.06493	0.9
121.10115	11.9
123.08063	2.1
123.11726	3.1
125.09614	1.3
127.03884	1.0
129.06976	5.3
130.31610	0.4
131.08540	7.5
133.06470	1.1
133.10100	7.7
135.08060	0.6
135.11670	6.2
136.11971	0.5
137.09607	1.4
137.13232	0.5
142.07751	1.3
145.04956	0.9
145.10092	3.6
146.82797	0.5
147.08031	1.4
147.11658	8.8
149.09552	2.5
149.13261	2.3
151.11201	0.9
157.10077	6.4
159.11693	1.9
161.13278	1.7
163.06044	1.6
163.11179	1.4
163.14793	1.3
165.12732	1.7
171.11668	0.6
173.13242	1.7
175.11185	6.8
175.14810	0.6
183.49722	0.4
187.14742	0.5
193.12210	22.4
209.72368	0.4
211.13257	32.8
212.13643	0.6
227.12671	1.0
238.61488	0.5
243.21169	1.4
261.22092	5.0
267.15869	7.1
270.65204	0.5
283.15518	0.9
284.15723	0.7
285.16919	33.6
301.25146	0.7
317.24768	1.6
335.25763	35.4
336.26065	1.6
337.26630	0.5
429.21075	0.8
435.32532	1.5
453.33710	0.9
471.34561	1.4
527.37195	6.3
543.36914	0.7
545.38281	100.0
546.38678	4.8
563.39392	0.6
689.42523	0.8
707.42175	0.7
904.54517	1.4
905.50391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.9
67.05501	28.9
69.03417	3.4
69.07060	6.5
70.97477	1.3
71.04989	2.5
73.02918	2.0
73.06558	0.6
79.05488	23.9
81.03412	27.1
81.07050	28.0
82.07378	1.1
83.04968	6.1
83.08611	13.6
85.02902	15.4
85.06527	1.4
91.03958	3.1
91.05473	18.6
93.07037	23.0
93.48302	0.6
94.07384	0.7
95.04963	14.9
95.08599	21.0
96.08938	0.7
97.02870	3.4
97.06467	2.7
97.10154	2.9
99.08060	0.6
103.05436	1.2
105.04515	0.8
105.06317	1.0
105.07021	21.5
107.04946	2.1
107.08584	13.0
109.06504	3.1
109.10150	8.5
111.04429	1.9
111.08057	5.0
113.05988	1.4
115.05397	0.9
117.07003	3.9
119.04977	0.6
119.07719	0.6
119.08565	12.6
120.08878	0.7
121.06496	1.3
121.09239	0.7
121.10120	11.8
123.08037	1.5
123.11703	3.1
125.09612	1.2
126.38743	0.6
127.03881	0.7
128.06221	0.7
129.06995	4.4
131.08554	7.8
133.06508	1.2
133.10120	8.4
135.08017	0.7
135.11670	6.0
136.11977	0.5
137.09576	1.3
137.13228	0.7
142.07765	0.7
145.04985	1.0
145.10121	3.0
147.08046	1.9
147.11676	9.2
149.09644	2.7
149.13232	1.9
151.11116	0.8
157.10121	6.1
159.11664	2.3
161.13255	2.0
163.06035	0.9
163.11169	1.4
163.14827	0.8
165.12802	1.2
173.13278	1.8
175.11188	6.2
175.14854	0.6
187.14767	1.3
193.10435	1.2
193.12225	21.2
211.13277	25.9
227.12854	1.5
243.21053	1.9
261.22153	6.8
267.15912	5.9
284.15961	0.7
285.16943	27.0
286.17529	1.3
317.24701	1.1
335.25775	46.5
336.26251	3.4
347.30478	0.5
408.25427	1.1
417.31564	0.5
429.21130	0.8
435.32770	1.0
453.33514	0.8
471.34933	1.1
477.51819	0.6
527.37347	8.2
544.36725	0.8
545.38324	100.0
546.38684	7.7
689.42261	1.5
904.55725	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	900.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02352	0.5
65.03923	1.5
66.51360	0.2
67.01865	0.3
67.05498	0.5
69.03405	0.2
70.71431	0.5
78.04702	0.4
79.05524	0.3
81.03400	0.7
85.02890	0.4
89.03902	5.9
91.05466	10.1
95.04962	0.3
97.02874	0.6
103.05457	0.3
107.04986	0.3
107.08563	0.2
109.02867	2.1
117.03365	17.4
118.03709	0.3
119.04926	22.5
120.05232	0.5
124.05143	0.3
127.03887	0.9
130.11446	0.2
134.03621	1.2
135.04398	1.4
145.02827	42.7
146.03261	0.5
147.04388	100.0
148.04732	1.5
149.05952	6.1
158.05933	0.3
163.03886	0.4
177.05446	88.4
178.05838	1.1
186.05530	1.6
259.09662	0.7
273.07538	2.8
285.07596	0.4
291.93845	0.2
303.08685	1.5
344.44547	0.2
449.12372	1.3
661.19232	1.4
697.24164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.3
65.03944	1.1
67.05486	0.4
69.30314	2.6
78.04733	0.3
81.03410	1.1
81.07028	0.4
89.03911	3.9
91.04895	0.6
91.05473	11.0
95.04958	0.3
97.02914	0.3
97.74095	0.2
98.21585	0.4
105.92583	0.3
109.02868	2.8
117.02534	0.6
117.03374	13.5
119.04932	22.4
120.05240	0.4
127.03875	0.8
130.43443	0.3
134.03618	1.0
135.04369	0.7
135.11734	0.3
145.02837	33.9
146.03210	0.4
147.04398	100.0
148.04758	1.4
149.05984	5.2
154.28404	0.3
163.03882	0.6
177.05455	75.8
178.05762	1.1
186.05516	1.4
230.13260	0.3
259.09564	0.9
273.07471	1.4
284.21991	0.3
294.35767	0.3
303.08578	0.9
333.77652	0.3
336.16922	0.3
449.12363	1.8
661.18439	0.9
663.96167	0.3
667.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34330	0.4
65.03904	1.7
67.05496	37.8
69.03391	1.8
69.07059	10.4
69.25523	2.0
69.25947	2.5
71.04980	2.3
71.08611	0.5
73.02870	1.5
75.92426	0.5
77.03890	0.5
79.05482	34.0
80.05777	0.6
81.03411	2.6
81.07045	41.3
82.07347	0.5
83.04975	2.9
83.08607	8.1
85.02890	3.3
85.06493	1.6
91.03909	1.7
91.04921	0.8
91.05467	15.2
91.36381	0.4
91.52285	0.4
93.07031	44.5
94.07330	0.7
95.04956	6.3
95.08593	47.5
96.08925	0.5
97.02878	4.0
97.06511	3.8
97.10113	1.9
99.04441	3.2
99.08054	0.9
103.05451	0.8
105.04504	0.5
105.07010	10.8
107.04305	0.5
107.04945	6.1
107.08576	30.1
109.06499	2.4
109.10139	11.7
111.04425	1.0
111.08036	1.2
117.07000	10.0
119.08559	12.7
121.06494	5.0
121.10125	20.3
122.10416	0.5
123.08018	1.4
123.11685	2.7
125.05994	2.6
125.06727	0.5
125.09592	0.6
127.03867	0.6
129.06985	0.9
130.07800	0.7
131.08551	5.1
133.10109	6.8
135.08006	1.5
135.11670	45.5
136.11966	0.6
137.13245	0.8
139.07458	1.4
139.08661	0.4
143.08464	0.9
145.06554	0.5
145.10100	23.5
147.11670	3.2
149.13228	3.5
153.12688	0.9
159.11678	2.4
161.09621	0.5
161.13168	1.8
163.11154	47.6
163.14777	1.9
164.11482	0.8
171.11703	0.7
173.09613	0.7
173.13303	2.5
175.14735	1.1
175.41382	0.5
177.16290	0.7
181.12201	6.3
187.14751	0.9
191.14313	0.5
201.16260	0.6
207.13747	0.8
209.11708	0.6
227.12749	49.9
228.13084	1.1
243.21126	2.3
261.22092	7.7
283.15359	55.9
284.15775	1.5
317.24677	3.0
335.25754	100.0
336.26117	4.2
379.03027	0.4
427.19632	0.9
469.33258	0.5
529.38843	1.6
543.36731	95.5
544.36932	4.7
561.37494	0.8
613.36884	0.5
687.40686	1.0
702.70007	0.5
705.41870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.5
67.05499	42.6
69.03415	2.1
69.07060	12.2
69.25458	2.1
69.25877	2.5
71.04986	2.8
72.73679	0.5
73.02882	1.9
77.45036	0.4
78.99107	0.6
79.05483	37.2
81.03405	3.6
81.07047	42.4
82.07360	0.5
83.01315	0.6
83.04975	3.2
83.08157	0.6
83.08611	10.6
85.02901	3.9
85.06517	1.5
91.03928	2.0
91.05468	17.8
93.07032	56.1
93.12631	0.5
94.07320	0.6
94.31744	0.4
95.01291	0.4
95.04961	9.0
95.08595	55.1
96.08918	0.7
97.02877	6.2
97.06514	4.8
97.10146	1.8
99.04441	3.6
99.08032	0.6
103.05444	0.5
105.04550	0.8
105.07019	13.9
107.04940	8.0
107.08582	36.7
108.08950	0.7
109.06509	2.9
109.10143	13.6
111.04441	1.8
111.08066	1.8
113.05996	0.9
113.09668	0.4
117.07001	11.4
119.08566	15.8
121.06491	5.8
121.10132	21.6
123.08028	1.4
123.11691	3.1
125.05994	3.7
125.09616	0.7
127.03883	1.3
129.06975	1.1
130.07768	1.6
131.08559	5.8
133.06493	0.6
133.10115	5.9
135.08073	2.6
135.11676	54.7
136.11967	0.7
137.09619	0.7
137.13254	1.3
139.07509	2.3
139.11198	0.7
143.08554	1.8
145.10109	33.7
146.10439	0.8
147.11682	2.9
149.09567	0.5
149.13260	2.8
151.11238	0.7
153.12749	0.9
155.08524	0.7
157.10126	0.6
159.11687	3.1
161.13239	2.8
163.11165	65.5
163.14833	2.1
164.11536	0.9
169.79253	0.5
171.11697	0.6
173.09607	1.3
173.13258	1.9
175.14923	0.8
177.12755	0.5
181.12209	10.9
184.07463	0.6
187.14816	1.3
207.13806	1.2
209.11707	1.3
227.12756	76.3
228.13112	1.6
233.22397	0.5
243.20956	2.4
250.26704	0.5
250.50909	0.4
261.14890	0.6
261.22119	8.8
262.26248	0.5
267.15887	0.5
283.15366	100.0
284.15790	1.9
307.15469	0.6
313.27084	0.5
314.27689	0.7
317.24799	3.1
335.25763	91.2
336.26208	3.8
427.19565	2.6
529.39117	1.7
543.36768	91.2
544.37122	5.0
561.37854	1.0
613.36926	0.5
679.59503	0.6
687.40906	1.9
705.42004	2.6
902.52985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01855	0.6
65.03916	1.0
67.05497	16.6
69.03416	3.1
69.07065	5.5
69.31342	6.0
71.01328	0.9
71.05000	3.2
73.02914	1.6
79.05486	17.4
81.03409	72.5
81.07045	16.4
83.04968	9.5
83.08607	21.3
83.08974	0.4
85.02428	1.1
85.02897	12.7
85.06530	1.2
91.03938	1.7
91.05470	22.4
93.07036	12.3
95.04956	27.9
95.05569	1.4
95.08599	7.7
97.02895	5.5
97.06507	3.1
97.10149	7.1
99.04411	0.7
105.07021	15.7
105.25671	0.6
107.04954	6.1
107.08582	8.3
109.02872	1.5
109.06503	4.3
109.10145	3.8
111.04417	2.1
111.08067	8.5
113.05960	1.3
115.05450	1.5
117.07011	3.7
119.04920	1.9
119.08565	14.9
121.06488	4.8
121.10124	7.4
123.04430	1.3
123.08021	2.5
123.11691	1.2
124.95530	0.7
125.09624	3.4
127.03882	1.8
128.06219	1.0
129.07001	9.9
131.04910	1.2
131.08549	10.6
133.06462	3.5
133.10114	8.4
135.08029	1.8
135.11661	1.4
137.05978	1.2
137.09593	2.0
139.03844	0.8
141.06911	1.1
142.07756	2.7
143.08554	1.8
145.02820	1.5
145.06470	4.5
145.10127	2.9
147.04387	2.4
147.08054	4.5
147.11655	10.5
149.09601	6.6
155.08501	0.9
157.06482	1.3
157.10106	12.7
159.11726	0.7
161.06020	0.8
161.09616	0.7
163.03918	0.7
163.06012	1.3
163.11154	2.8
165.12738	2.2
167.08522	0.8
169.10068	1.1
171.08012	1.0
171.11670	1.0
175.11154	12.6
177.05458	2.1
177.12744	1.1
183.11682	0.9
185.13283	1.1
189.11203	2.3
189.12758	1.2
193.12222	36.0
194.12602	1.1
195.11774	1.4
197.13231	1.1
199.11205	1.2
205.12224	1.1
211.11334	1.5
211.13261	14.3
213.12637	1.1
223.11049	0.8
227.12625	1.2
229.14282	1.5
231.13776	0.7
233.15346	1.4
237.12672	0.8
249.14839	2.0
255.13795	2.9
267.15881	100.0
268.16144	1.8
273.14743	5.1
285.16925	13.6
287.05389	1.5
287.16922	0.6
323.18591	0.9
339.23395	1.5
341.21185	2.1
349.21564	2.7
367.22565	7.4
385.23679	9.2
386.24115	0.7
403.24643	3.5
405.24188	0.8
415.24744	1.6
433.25806	14.4
441.26343	8.3
459.27359	79.8
460.28061	3.2
477.28445	45.8
478.28616	2.0
491.29724	0.7
501.28656	1.2
509.31216	1.2
519.29419	3.0
556.70630	0.7
567.29718	1.2
573.30469	0.8
585.30579	1.6
603.31506	1.7
603.97504	0.7
621.32367	0.9
635.30518	1.2
654.16394	0.7
886.46021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.3
67.01839	1.5
67.05491	1.2
68.99779	10.4
69.24995	5.6
71.53905	0.5
81.03416	4.9
85.02895	1.5
89.03907	1.1
91.05469	1.5
93.03407	1.0
95.04949	2.4
99.04446	1.2
103.05466	0.9
105.03366	1.6
107.04961	4.7
109.02859	5.2
111.00791	10.1
111.04424	3.9
115.05460	1.5
117.03318	0.8
117.06963	0.6
119.04910	3.3
121.02891	1.3
123.04416	45.0
127.03902	100.0
128.04248	2.1
131.04933	2.1
133.02849	1.8
135.04396	30.2
136.04790	0.6
137.02309	2.7
137.05939	1.0
139.03886	65.5
140.04236	0.9
143.04855	0.9
145.06482	1.2
147.04390	12.3
149.02319	4.0
149.05936	1.5
151.03880	32.0
153.01848	1.8
155.03372	3.6
155.04761	1.1
157.02705	0.7
157.06467	1.1
159.04446	4.3
159.08304	0.6
161.02385	1.3
161.05954	3.6
163.03879	34.8
165.05466	5.8
167.03397	3.7
167.04599	0.6
169.04938	1.8
169.06332	1.5
171.04401	1.5
173.05904	3.3
175.03888	13.0
176.04584	0.7
177.05457	8.7
179.03374	35.8
180.03804	0.8
181.04951	1.6
181.06459	1.2
183.04419	1.3
185.05937	2.0
187.03876	5.1
189.05486	4.3
191.03369	8.3
191.07022	0.8
193.04962	3.2
197.05981	2.9
199.03917	2.2
201.05423	6.6
203.03371	23.2
203.07144	1.2
205.04897	2.3
209.06082	0.9
213.05489	5.6
215.03438	2.7
215.06891	1.5
217.04959	5.7
219.06540	0.9
223.02351	1.1
225.05417	1.4
227.03400	1.5
227.06970	1.4
229.04958	8.5
231.02943	0.7
231.06398	3.4
233.04437	5.0
237.05437	1.0
239.06938	0.8
241.04984	5.7
243.02951	0.7
243.06531	2.8
244.03734	0.7
245.04425	58.9
246.04759	1.8
247.05991	21.1
251.05446	1.2
253.04953	2.3
255.06569	3.2
257.04431	14.0
258.05167	2.0
259.05978	9.7
261.03894	0.9
263.05481	24.2
265.04974	1.2
267.06323	1.0
269.04483	6.6
271.06000	15.2
273.07590	2.2
274.04666	1.9
275.05447	21.1
277.07010	2.1
281.04459	2.5
283.05945	12.3
285.03876	1.8
285.07535	0.8
286.04617	0.6
287.05460	48.4
288.05884	1.7
289.07028	19.5
290.07367	1.1
291.08621	17.6
295.06018	2.8
297.03833	2.1
297.07367	1.2
299.05484	7.1
301.07050	13.6
303.04932	2.0
303.08600	2.8
305.06506	9.6
309.03952	2.3
311.05511	2.3
313.07074	2.6
317.06735	1.4
321.07574	0.8
323.05463	2.0
331.08011	1.3
333.07593	1.0
335.05389	0.9
337.07104	0.8
351.04980	3.0
361.06992	2.0
365.06717	1.9
377.06451	1.5
379.08054	4.0
383.07602	2.5
389.06589	1.5
390.07071	0.9
391.08102	1.1
393.05930	4.5
395.07428	1.7
405.06107	4.0
407.07581	24.8
408.08148	0.9
409.09116	21.1
411.10855	3.9
412.07944	1.0
413.08728	4.0
417.05807	1.0
419.07632	3.9
421.09122	2.5
423.06824	1.0
425.08585	18.3
426.09036	1.2
427.10217	13.8
428.10321	0.9
431.07431	0.8
433.09705	0.9
435.06662	1.7
437.08450	5.9
439.10181	2.8
447.07373	1.1
449.08646	4.6
451.09869	1.8
453.12372	0.8
465.08774	1.0
467.09402	1.7
527.09595	2.2
533.10498	2.3
543.08478	1.0
545.10840	4.5
551.11749	2.2
557.10767	2.5
561.10260	2.6
575.11584	1.5
579.14990	3.4
587.11847	1.2
593.12512	1.1
605.12885	0.8
695.14233	1.0
697.15350	1.5
713.14661	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.1
67.01847	0.8
67.05503	1.0
68.99422	0.4
68.99776	8.3
69.00126	0.7
69.25166	5.3
77.03937	1.0
79.05486	1.7
81.03409	3.7
83.04984	0.9
85.02894	0.6
89.03910	2.4
91.05447	0.5
92.99396	0.5
93.03407	1.3
95.04963	1.9
97.02907	0.5
99.04428	1.1
103.05484	1.0
105.03386	1.2
107.04934	6.0
109.02857	4.4
111.00793	8.7
111.04424	8.8
115.05447	1.7
117.03354	1.5
117.07045	0.8
119.04942	1.4
121.02872	2.1
123.04415	47.9
124.04760	0.8
127.03901	100.0
128.04268	2.0
129.06941	0.5
131.04907	4.3
133.02870	0.6
134.28091	0.4
135.04398	61.3
136.04739	1.6
137.02324	4.3
137.05981	1.2
139.03883	72.6
140.04243	1.2
141.06967	0.9
141.42592	0.5
143.04909	1.2
145.02829	1.6
145.06456	1.6
147.04405	4.5
149.02327	7.0
149.05927	2.9
151.03885	16.1
153.01819	0.8
153.05473	1.1
153.06937	0.5
155.03540	0.5
155.04915	1.6
157.06561	1.1
158.39532	0.5
159.04425	5.3
161.02312	0.7
161.05928	3.3
161.95477	0.5
163.03885	60.8
164.04326	1.7
165.01820	1.0
165.05489	2.6
167.03416	5.7
167.04819	0.8
169.04951	2.4
169.06485	1.7
173.05965	4.6
175.03914	3.7
175.07494	0.7
177.01883	0.6
177.05455	8.2
179.03363	9.4
181.04942	4.0
181.06404	0.8
183.04408	2.3
185.05989	1.8
187.03853	7.5
187.05316	0.7
187.07573	1.2
189.05473	2.9
191.03371	11.6
193.04919	2.3
195.06480	1.1
197.05933	4.5
199.03912	0.5
201.05450	10.7
203.03374	12.0
203.07062	2.5
204.03709	0.7
205.04924	3.2
209.05913	0.6
211.03708	0.5
213.05414	3.5
215.03398	3.9
215.06908	2.9
217.04947	2.9
219.06520	1.2
221.04265	0.6
223.02385	1.6
223.05952	1.2
225.05470	2.4
227.03403	0.6
227.07024	1.5
229.04926	12.4
229.07050	0.9
231.02834	0.8
231.06458	2.9
233.04439	4.8
234.52925	0.5
235.02274	0.6
237.05466	1.5
241.04871	4.0
243.02823	1.0
243.06456	5.2
244.03726	0.6
245.04431	59.7
246.04883	1.4
247.05997	65.8
248.06325	2.1
251.05437	0.8
253.04945	2.8
255.06438	3.7
257.04419	15.7
258.05045	2.3
259.05988	12.4
260.06046	0.6
261.07416	2.8
263.05359	2.5
265.04932	1.7
267.06485	1.5
269.04346	4.9
270.05212	0.7
271.05957	28.5
272.06274	1.2
273.03940	1.4
273.07492	1.9
274.04584	2.3
275.05444	19.0
279.06378	0.8
281.04431	1.9
283.05951	14.5
285.03940	2.4
285.07333	0.8
286.04761	0.7
287.05460	20.8
288.05811	1.1
289.07016	35.3
290.07413	1.3
291.08835	0.6
293.04156	0.6
295.06018	2.6
297.03903	2.6
297.07437	1.4
299.05460	6.1
301.07022	18.3
302.07501	0.7
303.04941	1.2
307.08139	17.3
309.03952	1.8
309.07083	0.6
311.05435	2.2
313.07056	2.2
317.08179	0.7
319.08124	1.6
321.03796	0.7
321.07544	1.0
323.05438	3.4
329.06714	0.9
331.08273	1.2
333.07727	0.6
335.05450	0.8
335.09247	0.6
337.06812	0.7
339.04755	0.6
341.06522	0.8
347.05530	0.7
349.06949	1.0
351.04932	2.5
361.06985	1.8
363.08508	0.9
365.06497	1.5
367.08502	0.6
373.06830	0.7
377.06436	1.7
379.07791	2.9
381.09695	0.6
383.07541	3.3
389.06396	1.9
391.08023	2.5
393.05862	3.6
395.07526	2.2
396.08551	1.0
397.09131	6.9
401.06461	0.7
405.05716	3.7
407.07581	21.7
408.07864	1.4
409.09113	24.2
410.09503	1.5
411.10510	0.6
417.05844	0.7
419.07632	4.3
421.09348	2.7
425.08630	14.3
426.08627	1.1
427.10199	15.3
428.10736	0.8
431.07605	1.2
433.09128	2.6
437.02988	0.7
437.08688	9.7
438.08810	0.8
439.10098	1.3
440.57571	0.5
443.09689	7.7
449.08496	2.8
451.10291	5.0
455.09790	0.9
467.09628	1.3
469.11679	0.8
517.11377	3.5
527.09369	2.1
535.12390	2.2
541.10913	1.4
545.11047	2.9
553.11072	0.7
557.10791	0.5
559.12158	1.1
561.10175	3.1
562.10431	0.6
571.12183	1.1
573.09412	0.7
577.13031	2.0
587.11414	0.9
595.14160	1.4
605.13306	0.6
683.46362	0.5
695.13336	1.6
713.14941	4.3
731.15540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.5
61.09649	0.4
63.02385	0.5
69.13224	0.4
71.26605	0.7
71.26962	0.4
79.05495	0.7
81.03407	9.3
83.87863	0.4
85.02866	1.3
86.09699	0.6
89.03901	4.2
91.05453	0.7
93.06998	0.4
94.75249	0.4
95.04920	0.5
97.02889	2.4
99.04452	3.2
101.14213	0.4
105.07023	0.5
109.02867	26.3
114.52641	0.4
117.03366	14.4
119.04910	1.0
125.00038	0.4
127.03897	14.5
134.03633	0.9
135.04437	1.1
139.03883	1.3
145.02831	38.6
146.03111	0.5
147.04362	1.8
149.05949	5.2
169.04958	16.5
175.03854	0.4
177.05450	100.0
178.05792	2.2
179.03316	0.6
184.07384	1.8
186.05553	2.0
193.12401	0.5
217.08586	0.4
229.07040	1.9
259.09592	0.7
266.83484	0.5
285.07593	3.3
289.08990	0.8
303.08612	6.0
345.09662	12.2
557.16394	5.0
558.16620	0.5
773.67377	0.5
816.13727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.6
62.53418	0.8
67.05497	11.2
69.03443	1.3
69.07060	7.1
70.12968	3.2
71.04974	2.0
71.08624	15.8
73.02895	1.7
79.05486	13.6
81.03444	1.5
81.07047	17.8
83.04984	2.1
83.08609	10.9
85.02913	3.5
85.10168	8.7
89.06028	1.4
91.03944	1.4
91.05457	4.7
93.07032	18.5
95.04969	3.4
95.08595	31.0
97.02897	3.7
97.06520	1.8
97.10132	3.9
98.58362	0.8
99.04460	3.1
101.10880	0.7
103.07578	1.2
105.06995	4.3
107.04932	4.5
107.08574	16.7
109.06506	1.7
109.10163	7.4
111.08075	1.2
111.11697	0.8
117.07005	5.7
119.08569	6.9
121.06461	3.4
121.10150	7.0
123.11711	2.2
125.05986	2.4
127.03922	1.0
129.94855	0.8
130.07777	0.9
133.10089	0.8
135.08047	1.1
135.11671	37.0
137.13307	1.5
139.07571	1.4
145.10103	20.6
163.11162	50.8
181.12209	10.0
185.36295	0.8
209.11610	1.3
227.12755	54.0
228.13147	1.1
239.23621	1.1
257.24789	2.5
283.15363	81.7
284.15717	1.0
313.27322	82.5
314.27670	2.1
375.03461	0.8
521.38318	100.0
522.38727	3.0
593.31061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58773	0.7
67.05500	9.5
69.03415	2.5
69.07056	6.7
69.64133	3.8
70.31507	0.6
71.04982	0.7
71.08624	9.9
73.02906	1.3
79.05492	6.4
81.03413	23.4
81.07051	11.1
83.04973	4.1
83.08617	12.7
85.02896	13.1
85.06525	1.0
85.10172	6.4
87.08105	5.7
91.03946	2.7
91.05480	6.7
93.07022	4.9
95.04957	10.5
95.08598	9.9
97.02907	4.2
97.06514	2.1
97.10162	3.1
105.07032	6.0
107.04955	1.3
107.08579	1.7
109.06483	1.3
109.10141	4.1
111.04447	1.1
111.08060	4.0
113.05946	0.8
117.06983	0.7
119.08558	5.7
121.06520	1.0
121.10145	2.8
123.08067	0.7
123.11697	2.0
125.09621	0.9
127.03922	4.4
129.06979	2.9
131.08549	3.9
133.10121	2.5
142.07779	0.9
145.04939	1.2
147.11676	5.8
149.09610	1.9
157.10107	6.0
163.05978	1.0
165.12660	1.3
173.15387	2.3
175.11177	6.2
193.12227	21.0
211.13271	27.4
212.13641	1.2
227.12646	0.8
229.14395	2.7
239.23642	0.9
257.24731	0.8
267.15918	7.4
268.69275	0.7
275.78812	0.6
283.15472	0.7
285.16940	27.6
313.27328	30.3
314.27838	1.9
331.29822	0.6
355.17480	1.1
365.04343	0.8
373.18246	0.9
429.21411	0.9
505.38809	7.8
522.38342	0.8
523.39911	100.0
524.40210	4.6
560.51581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22330	2.3
67.05497	19.1
69.03411	4.7
69.07053	9.7
70.77586	2.2
71.04986	3.9
71.08617	16.2
71.13969	5.9
73.02909	4.0
79.05478	14.3
81.03410	38.1
81.07039	23.7
83.04960	8.8
83.08616	16.9
85.02892	19.2
85.10165	10.9
85.63643	2.1
85.84966	2.3
87.04457	2.7
87.54971	2.1
91.03937	5.7
91.05477	20.6
93.07030	11.9
94.98144	2.6
95.04960	14.9
95.08624	15.5
97.02886	7.7
97.06520	2.9
97.10141	4.3
105.07016	13.6
107.04964	6.1
107.08588	5.4
109.10134	6.3
111.04415	3.7
111.08048	7.7
119.08569	10.5
121.10126	7.2
129.06990	5.4
131.08559	7.0
133.10143	7.6
137.09668	2.4
147.11665	8.3
149.09595	4.1
157.10123	11.1
175.11212	11.4
190.28925	2.3
193.12221	23.7
211.13266	38.8
267.15814	18.8
267.79321	2.3
285.16940	42.2
313.27304	55.2
330.09369	2.8
365.29163	2.9
505.38730	11.5
523.39886	100.0
524.40094	5.8
548.76111	2.5
919.21179	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	867.212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.0
67.01875	0.7
68.99776	9.2
69.17170	7.0
77.03910	0.8
79.05478	1.6
81.03406	3.9
83.04973	1.0
85.02885	0.8
89.03904	2.8
91.05470	2.6
93.03390	2.3
95.04974	3.1
97.02923	0.6
99.04444	1.5
103.05480	1.2
105.03387	0.8
105.04500	0.8
107.04945	22.7
109.02840	3.6
111.00784	6.2
111.04418	8.9
115.05418	1.1
117.03369	1.7
119.04930	13.5
121.02852	2.6
123.04415	66.7
127.03904	100.0
128.04254	1.0
129.06993	0.6
131.04889	2.4
131.74106	0.6
133.02852	1.3
133.06438	1.0
135.04401	53.7
136.04755	0.9
137.02318	3.9
137.03276	0.7
137.06001	1.0
139.03886	56.3
140.04163	0.9
141.06918	0.9
143.04930	1.1
145.02892	0.8
145.06454	2.0
147.04390	16.6
148.04773	1.1
149.02307	6.2
149.05977	2.6
150.03099	0.7
151.02736	1.3
151.03896	17.8
153.05507	0.7
155.04918	1.6
157.06471	1.9
159.04378	4.4
161.05956	5.3
163.03886	51.9
164.04391	1.2
165.01869	1.0
165.05528	4.1
165.06757	0.8
167.03375	7.5
169.04985	2.0
169.06483	2.8
171.04433	1.7
173.02299	0.7
173.05997	4.1
175.03893	3.7
175.07510	0.7
177.05479	7.3
179.03384	10.8
181.04948	1.8
181.06444	1.5
183.04416	2.0
185.05981	2.6
187.03871	7.2
187.07494	0.8
189.05434	4.5
191.03389	10.5
191.27879	0.6
193.04980	2.8
197.06017	5.0
198.89679	0.7
199.07556	0.9
201.05440	9.2
203.03381	14.3
203.07039	2.7
205.04935	4.4
207.02972	0.8
207.06548	0.9
211.03848	1.0
213.05432	3.8
214.06171	0.8
215.03334	3.3
215.07010	3.4
217.04971	2.3
219.06523	2.0
221.04378	0.9
223.02344	1.5
225.05486	2.6
227.03448	1.3
227.07018	1.4
229.04945	11.2
231.06494	16.5
232.06927	0.8
233.04427	4.6
237.05473	1.2
239.07034	1.4
241.05013	2.4
243.02858	1.2
243.06505	9.2
244.03688	2.9
245.04436	44.2
247.05994	40.9
248.06140	0.7
251.05396	1.4
253.04988	2.1
255.06497	5.6
257.04401	16.2
257.07321	1.1
257.08176	1.0
258.05142	2.0
259.06006	7.7
261.07501	2.3
263.05472	1.2
265.04913	1.7
267.06415	5.7
269.04489	4.7
271.05984	26.1
272.06351	1.2
273.04269	0.8
273.07501	10.6
274.04755	6.0
274.07611	1.1
275.05453	16.6
279.06686	1.3
281.04501	2.4
281.07843	0.9
283.06000	9.4
285.03912	3.6
285.07593	6.7
286.04831	1.2
287.02231	1.0
287.05466	24.7
289.07047	28.8
291.05670	1.1
291.08609	11.2
295.05988	2.1
297.03882	2.1
297.07343	1.4
299.05487	6.9
301.07050	8.8
303.05038	2.2
303.08475	1.1
307.08429	5.8
309.03961	2.0
311.05466	2.7
313.07098	2.9
315.05032	1.0
315.08658	1.0
321.07553	1.0
323.05475	2.2
323.09024	1.0
325.07031	1.1
329.06607	0.8
331.08389	0.7
345.07462	1.5
349.07074	1.4
351.05069	1.7
361.07080	1.0
363.08566	2.5
367.07993	1.5
373.07214	1.3
375.08685	1.1
379.08102	3.2
383.07813	2.0
389.06436	1.5
391.08069	11.9
393.05762	2.9
393.10080	7.3
395.07681	1.4
397.09152	4.3
401.06348	0.9
403.08029	3.0
405.05667	4.0
407.07559	16.1
409.09164	22.2
410.09479	0.8
411.10629	8.8
417.09991	1.6
419.07794	3.6
421.09180	6.3
423.11423	1.0
425.08524	7.1
427.10236	11.1
433.09171	2.9
435.10699	2.5
437.08704	5.9
439.10211	2.4
443.09546	2.1
449.08749	1.5
451.10349	2.6
453.11649	1.4
467.09842	1.0
469.10883	1.0
517.11218	1.6
527.09656	2.0
529.11273	1.0
535.12201	1.2
541.11023	0.9
543.12531	1.2
545.10797	4.0
557.10840	1.1
561.13605	1.1
571.12280	1.6
579.14722	4.3
679.14490	1.6
697.15668	3.5
798.58069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81849	0.1
63.02374	0.2
67.01851	0.3
67.20132	0.2
68.99812	0.3
69.03414	0.3
70.70595	0.6
71.04990	0.5
78.04733	0.2
81.03410	8.6
81.68587	0.1
85.02895	1.1
89.03903	4.4
91.05467	0.5
97.02882	3.0
99.04443	3.0
101.26404	0.1
103.05456	0.2
109.02866	24.6
110.03185	0.3
117.03368	13.7
118.03722	0.2
119.04964	0.2
127.03903	13.5
134.03606	1.0
135.04428	1.0
139.03883	1.0
145.02829	43.9
146.03160	0.7
147.04405	0.2
149.05959	5.2
162.03101	0.1
163.03847	0.3
169.04945	16.1
170.05254	0.2
175.03960	0.4
177.05449	100.0
178.05789	2.1
179.03410	0.2
185.06044	0.3
186.05486	1.2
187.05956	0.2
191.06918	0.2
211.06006	0.3
215.07076	0.3
215.53842	0.1
217.08545	0.1
221.04388	0.7
225.05386	0.2
229.07021	1.5
243.06378	0.2
253.04887	0.2
257.08084	0.2
259.09583	0.4
270.05042	0.2
273.28345	0.2
285.07510	3.4
289.09122	0.8
303.08572	6.1
304.08823	0.2
345.09644	11.3
346.10049	0.5
364.63477	0.2
557.16479	4.7
558.16638	0.4
782.89484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35569	0.6
61.02913	2.5
65.03938	1.1
66.40712	0.5
67.05498	24.7
68.05824	0.7
69.03418	2.2
69.07056	6.9
71.04970	2.4
73.02906	1.4
75.44233	0.6
79.05488	14.9
79.05895	0.5
81.03409	38.5
81.07047	30.9
81.07531	1.4
82.03762	0.6
83.04961	4.9
83.08609	12.8
85.02901	4.2
85.06537	1.7
91.03944	1.5
91.05474	13.9
91.06031	1.3
93.07033	23.3
94.90933	0.6
95.04955	12.5
95.08597	7.2
97.02887	2.4
97.06514	5.2
97.10166	2.0
98.21511	1.6
99.08099	1.1
105.07005	8.0
107.04960	2.9
107.08582	11.3
109.02886	0.8
109.06474	3.4
109.10163	2.4
111.04427	0.7
111.08069	5.6
115.05415	0.9
117.06979	3.6
117.92329	0.6
119.04926	1.7
119.08553	5.4
121.06476	1.5
121.10139	7.5
123.04426	1.5
123.08064	1.4
123.11752	1.7
125.09621	1.8
127.03989	1.0
129.06981	4.9
131.08531	7.3
133.06467	2.1
133.10126	7.7
135.08000	0.8
135.11676	4.1
137.09618	0.9
139.11185	0.6
142.07881	0.7
145.02788	1.9
145.06497	0.9
145.10124	1.4
145.26790	0.6
147.04399	2.4
147.08049	2.5
147.11665	5.3
149.09601	3.1
149.13243	11.3
151.11205	0.8
157.10121	5.2
159.11676	4.7
163.05994	1.1
163.11169	1.2
165.12778	1.4
175.11185	6.0
177.05479	4.2
177.12732	1.8
193.12242	13.4
195.13759	3.3
205.12291	0.8
211.13356	1.7
213.14970	0.8
231.13753	0.7
249.15013	1.2
267.15887	45.5
269.17444	37.3
270.18091	0.9
271.92917	0.7
369.24203	0.7
385.86337	0.7
387.25064	0.8
417.26309	1.4
435.27301	5.2
443.27768	2.7
453.28452	2.4
461.28928	100.0
462.29239	2.5
479.29974	6.5
503.30090	2.6
511.32581	3.7
527.29742	1.2
555.14130	0.6
569.30951	2.1
587.32141	2.1
605.32861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02350	0.6
65.03925	3.5
67.05475	1.5
68.99442	1.0
68.99780	11.8
71.27766	0.7
71.28114	0.8
77.03901	0.9
78.59462	0.6
79.05455	2.4
81.03405	4.3
83.04946	2.2
85.02874	2.9
89.03896	2.5
91.05447	2.1
93.03376	2.0
95.04960	3.8
99.04454	0.8
103.05421	0.6
105.03370	2.0
106.97443	0.6
107.04942	11.5
109.02861	5.0
111.00790	9.7
111.04430	14.6
115.05419	0.9
117.03375	1.8
117.07007	0.7
119.04920	6.6
121.02863	3.3
123.04414	88.2
124.04736	1.0
127.03899	100.0
128.04272	1.7
129.07004	0.7
131.04918	4.2
133.02823	0.8
133.06506	0.9
135.04396	82.9
136.04768	1.3
137.02322	5.3
137.05969	1.5
139.03883	70.7
140.04233	1.1
141.06918	1.1
141.38258	0.6
143.04909	1.5
145.02829	1.5
145.06468	2.3
147.04381	11.7
149.02335	7.3
149.05954	2.0
151.03889	21.6
152.04549	0.7
153.01797	0.8
153.07004	1.4
155.04926	3.0
157.06480	2.4
159.04436	4.5
161.02325	1.1
161.05937	4.9
163.03883	76.6
164.04237	2.0
165.01820	1.0
165.05479	6.1
167.03395	7.1
169.04976	5.0
169.06531	2.7
171.04410	1.7
173.02338	1.8
173.05925	6.6
175.03873	5.1
177.05476	9.1
179.03372	12.0
181.04979	1.7
181.06494	1.7
183.04387	3.4
185.05946	3.2
187.03824	9.6
187.07510	1.1
189.01762	0.8
189.05486	5.1
191.03369	14.3
191.07127	0.9
193.04976	2.8
197.05974	5.4
199.03838	1.0
201.05447	11.3
203.03377	14.5
203.06978	3.2
205.04968	4.0
207.06482	1.4
211.03831	1.0
211.07506	0.7
213.05444	4.7
215.03464	4.3
215.06943	4.3
217.05009	2.8
219.06519	1.8
221.04369	1.0
223.02335	3.8
225.03580	0.7
225.05341	3.3
227.03438	0.8
227.07152	0.9
229.04939	13.7
231.02948	1.6
231.06490	6.8
233.04474	4.7
235.02403	0.9
237.05624	1.4
239.07123	1.4
241.04941	3.8
242.05629	1.0
243.02908	0.8
243.06477	6.8
244.03708	0.8
245.04428	62.5
246.04846	2.2
247.05992	53.7
248.06473	2.1
251.05566	0.8
253.04921	3.5
255.06374	4.0
257.04413	22.4
258.05136	3.7
259.05957	11.1
261.07584	4.8
263.05609	2.4
265.04977	1.8
267.06552	2.7
269.04486	6.8
270.05154	1.2
271.05966	35.4
272.06458	0.9
273.04434	1.1
273.07648	4.0
274.04736	1.6
275.05444	17.2
275.93585	0.6
279.06625	0.8
281.04517	2.4
283.06000	11.5
285.04095	2.8
285.07626	3.0
286.04666	1.0
287.05441	23.7
288.05991	1.7
289.07028	39.9
290.07489	1.6
291.08585	22.8
292.09128	0.7
293.04575	1.5
295.05957	3.9
297.03943	2.4
297.07376	1.3
299.05475	9.2
301.07043	16.4
303.05396	1.0
303.08383	3.1
305.07941	0.7
307.05875	1.3
309.04050	1.8
309.07489	0.8
311.05515	4.0
313.07053	5.5
315.16824	0.7
317.07596	0.7
321.07602	1.0
321.45160	0.7
323.05432	3.2
327.05276	1.5
329.06763	1.0
331.08337	3.5
337.06912	0.9
341.06754	1.0
345.07681	1.2
349.07062	1.2
351.04898	3.0
361.07220	2.4
363.08847	1.0
365.06509	1.8
377.06659	1.9
379.08112	5.2
381.09976	0.9
383.07684	2.0
389.06744	2.4
391.08105	3.6
393.05661	5.0
393.10577	1.0
395.07578	1.1
397.09192	3.2
403.08179	1.3
405.05667	3.8
405.10803	1.0
407.07562	21.7
408.08124	0.8
409.03732	1.6
409.09137	33.9
410.09714	2.2
411.10794	6.1
415.08484	1.0
419.07623	5.2
421.09045	4.2
425.08530	12.7
425.13596	0.9
427.10168	18.8
428.10666	1.4
431.07623	1.3
433.09088	5.5
435.11203	1.3
437.08649	8.1
439.10565	2.7
449.08972	2.6
451.10196	10.6
453.11984	2.5
469.11288	1.2
477.29718	0.9
517.11572	2.0
527.09717	3.9
529.11499	0.8
535.12421	1.6
541.11554	1.9
545.10730	6.6
553.11658	0.8
557.11066	1.8
559.12781	2.0
571.12567	4.1
577.13330	3.7
579.14917	6.3
589.13757	1.9
679.14270	1.5
697.15680	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	867.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.6
67.01862	1.0
67.05499	1.5
68.99780	8.9
73.91106	0.6
77.03937	1.1
79.05478	1.1
81.03411	3.9
81.85986	0.5
83.04964	1.2
85.02894	1.6
89.03899	2.3
91.05479	1.7
93.03371	1.2
95.04962	3.1
98.20747	1.4
99.04430	0.7
103.05488	1.1
105.03368	1.5
107.04947	7.4
109.02876	4.0
111.00792	8.1
111.04431	6.4
115.05477	1.5
117.03336	1.2
119.04948	2.8
121.02883	2.3
123.04414	59.4
127.03902	100.0
128.04216	0.9
131.04887	3.9
133.06505	0.7
135.04399	61.1
136.04649	0.6
137.02347	4.8
137.05957	1.0
139.03891	45.8
140.04187	0.6
141.06979	1.0
143.04901	1.2
145.02827	1.0
145.06485	1.0
147.04388	8.6
149.02319	7.0
149.05925	1.7
151.02744	1.2
151.03886	15.4
153.01918	0.8
155.04968	1.5
157.06499	1.1
159.04428	4.4
161.02367	0.9
161.05981	3.7
163.03886	61.7
164.04410	1.1
165.01794	1.1
165.05464	5.7
167.03383	5.4
167.04678	0.8
169.04948	2.8
169.06493	2.5
173.05968	4.7
175.03934	3.5
177.05464	6.0
179.03366	8.6
181.04973	2.0
181.06477	0.9
183.04408	2.2
185.05988	2.3
187.03856	8.7
187.07555	0.9
189.05461	3.6
190.02585	0.8
191.03346	11.7
193.04988	2.3
197.05971	4.7
199.03979	0.8
199.07428	0.7
201.05464	9.7
203.03380	12.8
203.07045	2.6
205.04897	4.3
207.02852	1.0
207.06473	1.4
213.05435	2.2
215.03511	4.1
215.07050	2.6
216.04269	0.8
217.04982	2.6
219.06548	1.5
223.02380	1.8
225.05461	2.3
227.06984	1.2
229.04935	12.3
231.02869	0.8
231.06476	3.3
233.04399	5.0
235.02325	0.7
237.05495	1.7
239.06984	1.0
240.78075	0.7
241.05006	2.7
243.02907	1.1
243.06496	6.0
245.04436	76.6
246.04851	1.8
247.06003	53.2
248.06311	1.3
253.04898	3.3
255.06497	3.0
257.04416	17.6
258.05173	1.5
259.06000	10.3
261.07544	3.0
263.05518	2.1
265.04681	0.9
269.04382	4.7
271.05972	28.5
273.07660	1.4
274.04684	4.2
275.05453	24.0
281.04358	2.1
283.05972	12.9
285.03934	2.7
285.07196	1.3
286.04639	0.9
287.05444	20.6
288.06100	0.6
289.07050	31.4
291.08633	14.4
291.11575	0.4
293.04468	0.8
295.06070	2.4
297.03952	2.5
297.07254	1.1
299.05435	6.6
301.07047	10.4
303.05142	1.6
303.08640	2.8
307.06161	1.1
309.03976	2.7
311.05548	2.9
313.07031	2.6
319.06107	0.7
321.07440	0.8
323.05435	4.1
331.08099	2.3
341.06641	0.9
349.06992	1.1
351.04834	2.9
361.07034	1.9
363.04855	0.8
363.08789	0.8
365.06537	1.9
377.06427	1.5
379.08182	2.9
383.07639	4.0
389.06555	1.7
391.08054	3.0
393.05917	5.2
395.07495	2.0
396.08652	0.9
397.09094	9.3
405.05994	3.9
407.07584	28.8
408.07840	1.7
409.09158	25.9
411.10785	4.3
419.07498	5.1
421.09012	3.2
425.08530	11.9
427.10242	12.6
431.07465	1.0
433.09219	3.1
435.11121	1.6
437.08636	10.4
439.10257	2.7
449.08554	3.8
451.10199	5.8
453.11813	1.0
517.11249	3.1
527.09656	4.3
529.11261	1.3
535.12317	2.2
541.11078	2.3
545.10657	5.7
557.10370	1.4
559.12189	2.1
571.12189	2.6
577.13373	2.1
578.42908	0.8
579.14868	4.5
579.75458	0.7
589.13159	0.9
679.13910	1.4
697.15320	5.1
715.16931	1.3
857.42169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.8
65.03926	1.3
67.05496	38.8
69.03419	7.0
69.07057	9.1
69.28349	2.8
69.28770	4.4
71.04978	1.8
73.02892	3.2
75.72001	0.7
79.05012	0.9
79.05486	25.7
81.03381	2.4
81.07041	32.1
81.07526	1.6
82.07358	0.8
83.04952	2.4
83.08607	19.7
85.02895	11.5
85.06538	1.1
86.09745	0.7
91.03947	6.3
91.05476	11.6
93.07027	22.6
94.07337	0.8
95.04936	2.4
95.08591	18.6
97.02905	5.4
97.06498	1.0
97.10155	44.1
98.10493	0.8
99.08018	0.9
101.09689	0.7
105.07020	8.6
107.04916	1.4
107.08571	22.5
109.02874	1.1
109.06504	0.9
109.10137	13.3
111.08069	1.6
117.06985	4.6
119.08569	7.2
121.10121	9.5
123.04377	0.9
123.08066	1.5
123.11687	3.9
125.09612	46.2
127.03876	3.2
129.06956	1.2
131.08524	5.5
133.10150	4.4
135.08029	5.2
135.11664	6.9
137.13260	1.4
143.08560	0.8
143.10666	2.0
145.04936	3.6
145.10088	5.2
147.04413	0.7
147.11679	3.5
149.13235	5.1
153.09077	2.8
157.10052	1.0
159.11676	3.7
161.13261	2.9
162.07642	0.7
163.05988	4.1
163.14767	2.9
165.12698	1.1
171.10110	2.0
173.13162	4.2
174.59105	0.7
175.14754	1.3
177.16397	1.2
182.72394	0.8
184.07336	1.3
187.14740	2.0
189.11201	38.5
227.12744	70.7
233.22600	0.8
233.53458	0.7
243.21077	6.2
245.13820	100.0
246.14188	1.4
249.47391	0.7
261.22113	27.3
279.23245	3.2
317.24658	4.0
335.25760	64.3
336.26263	2.1
353.26828	1.0
413.30612	1.7
431.31546	2.9
487.34344	10.2
505.35156	47.6
506.35709	1.7
523.36145	7.1
702.41901	1.6
766.98871	0.9
864.51007	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.0
67.05492	1.0
68.99781	7.6
70.77147	0.8
70.77457	0.6
77.03936	0.8
79.05495	1.1
81.03416	4.4
83.04964	1.0
85.02872	1.0
89.03923	2.0
91.05459	0.9
93.03402	1.7
95.04985	2.5
99.04430	1.2
103.05434	1.0
105.03371	0.8
105.04534	0.4
107.04956	5.9
109.02856	4.0
111.00792	7.0
111.04438	8.4
111.77592	0.4
115.05433	0.8
117.03347	1.1
119.04159	0.7
119.04892	2.9
121.02849	1.8
123.04419	62.3
125.02348	0.5
127.03905	100.0
128.04190	0.8
131.04929	3.4
133.02841	0.5
135.04401	56.9
136.04755	0.9
137.02327	4.2
137.06000	0.8
139.03891	51.3
141.06943	1.3
143.04918	1.4
145.02782	0.8
145.06479	1.3
147.04382	7.7
149.02310	7.2
149.05945	2.3
151.03894	13.6
151.05142	0.8
153.01805	0.5
153.06975	0.9
155.03635	0.6
155.04910	1.8
157.06421	1.4
157.58031	0.5
159.04408	4.3
159.07997	0.5
161.02351	1.3
161.05952	5.2
163.03893	59.6
164.04291	0.7
165.01833	0.9
165.05444	5.4
167.03380	7.0
169.04938	2.5
169.06480	1.7
171.04414	0.6
173.05968	4.9
175.03915	3.9
175.07506	0.6
177.01791	0.5
177.05446	6.8
179.03378	8.0
181.04927	1.8
181.06412	0.8
183.04449	2.4
185.06036	2.4
187.03844	7.6
187.05247	0.5
187.07513	0.8
189.01816	0.6
189.05443	3.1
191.03377	11.7
193.04964	1.5
197.05968	5.2
199.03963	0.8
199.07553	0.4
201.05458	8.9
203.03387	12.7
203.06941	2.5
205.04958	3.2
207.02890	1.1
207.06512	1.0
209.06085	1.0
211.03998	0.7
211.07512	0.5
213.05498	3.9
215.03389	4.2
215.06967	3.8
217.04938	2.9
219.06471	1.1
221.06070	0.7
223.02315	1.4
225.05444	2.4
227.06992	1.2
229.04939	12.7
231.02882	1.1
231.06467	4.0
233.04390	4.8
237.05467	1.6
241.04903	3.8
243.02811	1.0
243.06487	4.8
245.04434	60.8
246.04770	1.3
247.06000	48.3
248.06323	0.8
251.05560	0.8
253.04959	2.6
255.06422	3.2
257.04434	15.7
258.05173	1.0
259.03357	0.9
259.05975	10.2
260.06409	0.8
261.07578	2.0
263.05307	1.1
265.05014	1.1
267.06479	1.1
269.04504	5.1
270.05197	0.8
271.05991	27.0
272.06293	0.7
273.07465	2.1
274.04575	3.0
275.05463	20.4
277.04758	0.6
279.06207	0.8
281.04453	2.7
283.05988	12.0
285.03995	1.7
285.07523	1.5
287.05472	19.7
288.05823	1.0
289.07034	27.1
290.07327	0.9
291.08621	15.6
293.04471	0.8
295.06058	2.9
297.03940	1.9
297.07385	1.0
299.05499	5.6
301.07043	13.4
303.05219	0.9
303.08588	2.2
307.06039	1.1
309.03864	2.7
309.07117	0.5
311.05533	2.3
313.06998	2.1
316.98447	0.6
319.05951	0.8
321.07571	0.7
323.05533	2.9
325.07095	0.6
327.05020	0.5
329.06540	0.8
331.08102	1.2
333.07254	0.6
335.05423	0.8
337.07065	0.9
341.06778	0.8
349.06796	0.7
351.05032	3.1
361.06900	1.6
363.04947	0.8
363.08783	1.0
365.06329	2.0
367.08325	1.2
373.06985	0.9
377.06442	1.6
379.08121	3.0
381.09836	0.6
383.07666	3.8
389.06357	2.3
391.08044	2.8
392.14633	0.5
393.05963	4.3
395.07471	1.7
396.08542	0.6
397.09192	5.3
401.06247	0.7
405.05908	4.4
407.02094	1.0
407.07574	20.9
409.09140	25.7
410.09540	0.5
411.10629	3.8
417.05887	1.2
419.07703	4.7
421.09207	4.2
425.08517	7.5
427.10217	14.2
431.07458	0.8
433.08954	2.5
435.10733	1.3
437.08649	6.8
439.10397	2.4
449.08612	2.0
451.10287	4.0
453.12332	0.6
461.08145	0.5
517.11127	2.0
527.09680	3.1
529.11072	1.0
534.94629	0.5
535.12085	1.1
541.11115	1.6
545.10724	5.3
553.10950	0.9
557.10474	1.3
559.12256	1.2
571.12177	1.2
577.12982	1.3
579.15063	3.9
589.12799	0.7
679.13989	1.7
697.15503	3.3
699.16864	0.7
715.16144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.3
67.01860	0.7
67.05496	1.3
68.99775	8.0
69.00125	0.7
71.26496	0.6
74.77062	0.3
77.03928	0.9
78.66609	0.3
79.05475	1.3
81.03408	4.1
83.04992	0.6
85.02885	1.4
89.03892	2.0
91.05456	1.5
93.03392	1.7
95.04948	2.5
97.02874	0.5
97.91949	0.4
99.04438	1.1
102.60604	0.4
103.05451	1.0
105.03376	1.6
107.04947	7.8
109.02853	3.9
111.00798	6.6
111.04424	8.0
115.05457	1.2
117.03359	1.4
117.06988	0.4
119.04937	4.2
121.02850	2.0
123.04409	70.7
124.04745	0.8
127.03897	100.0
128.04228	0.8
128.06165	0.4
129.07024	0.7
131.04910	3.3
131.08437	0.4
133.02831	0.4
133.06421	0.4
135.04393	56.4
136.04709	1.0
137.02324	4.2
137.05956	1.1
139.03880	42.0
140.04242	0.5
141.06964	1.0
141.24608	0.4
143.04874	1.5
145.02792	0.9
145.06474	1.3
147.04388	11.2
149.02321	6.9
149.05959	2.7
150.03075	0.7
151.03880	13.4
153.01764	0.9
153.05438	0.8
155.04863	2.1
157.06499	0.9
159.04402	4.9
161.02289	0.9
161.05937	5.3
163.03877	54.4
164.04253	1.0
165.01762	0.9
165.05470	5.2
167.03360	5.9
169.04912	1.6
169.06465	2.2
171.04413	0.8
173.02354	0.9
173.05974	5.6
175.03883	3.6
175.07463	0.4
177.05453	7.4
179.03363	9.6
179.04918	0.5
179.07007	0.6
181.04938	1.2
181.06464	0.9
183.04366	2.1
185.05977	1.8
187.03854	8.1
187.07503	1.1
189.01825	0.5
189.05437	3.3
191.03354	7.9
193.04964	2.3
197.05945	4.3
199.03807	0.6
199.07265	0.4
201.05429	9.6
203.03365	11.1
203.06966	2.2
205.04956	2.9
207.02785	0.8
207.06461	1.6
211.03897	0.9
211.07538	0.4
213.05400	3.3
215.03416	2.1
215.06982	3.5
217.04944	1.6
219.06540	1.3
221.04359	0.6
223.02318	1.0
225.05409	2.1
227.03255	0.8
227.06926	0.5
229.04936	9.5
231.02858	0.8
231.06435	4.4
233.04424	2.4
235.02208	0.6
237.05438	1.3
239.06978	0.6
241.04930	3.1
242.05745	0.7
243.02805	0.5
243.06502	5.9
245.04417	41.3
246.04828	1.1
247.05980	41.3
248.06322	0.8
249.05501	0.7
253.04938	2.2
254.05722	0.6
255.06496	3.2
257.04398	14.7
258.05087	1.4
259.05994	7.3
261.07458	2.7
263.05502	2.4
265.04886	1.1
267.06454	0.9
269.04428	4.2
270.05109	0.6
271.05963	23.5
272.06125	0.9
273.03943	0.8
273.07449	2.9
274.04758	2.7
275.05426	14.4
276.71457	0.4
279.06378	0.5
281.04367	1.6
283.05927	6.3
284.06674	0.4
285.04227	1.9
285.07239	2.0
286.04800	0.6
287.05438	22.3
288.05847	1.4
289.07019	26.0
290.07382	0.7
291.08633	14.6
293.04614	0.6
295.05984	2.3
297.03830	1.9
297.07236	0.7
299.05450	5.6
301.07031	8.7
303.05151	0.8
303.05731	0.5
303.08484	2.5
307.05780	0.7
309.03818	1.5
309.07135	0.5
311.05582	1.9
313.06796	2.2
317.07953	0.6
321.07486	0.8
323.05539	2.5
325.07071	0.6
331.08154	1.1
333.09732	0.8
335.05380	0.5
337.07135	0.8
339.08640	0.5
341.06970	0.4
345.07361	0.5
347.04822	0.4
349.06766	0.6
351.04871	1.1
361.06970	0.9
363.08521	0.7
365.06436	1.4
367.07913	0.8
375.04654	0.6
377.06372	1.1
379.08127	3.2
383.07581	1.8
389.06320	2.0
391.08151	3.0
393.05612	2.1
393.10202	0.6
395.07352	1.7
396.08057	0.6
397.09109	4.8
401.06509	0.5
403.07806	0.7
405.05746	2.4
407.07544	16.3
409.09106	24.8
410.09375	1.0
411.10632	5.7
417.05969	0.4
419.07593	3.2
420.07785	0.4
421.09113	2.6
423.10989	0.5
425.08496	8.5
427.10162	8.4
431.07635	0.8
433.09238	2.5
435.11157	2.2
437.08609	5.1
439.10187	2.4
449.08450	1.6
451.10028	2.9
453.11600	3.1
469.10986	0.4
472.90747	0.4
517.11353	2.2
527.09369	1.7
529.10791	0.4
531.12225	0.6
535.12140	1.4
541.10925	1.0
545.10840	3.1
553.11249	0.4
557.10272	0.9
559.12030	0.9
561.13800	1.9
571.11841	0.9
577.12695	1.1
579.14984	3.7
679.13934	1.4
697.15161	2.2
715.15674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.9
62.96380	0.6
65.03919	1.2
67.05496	35.5
69.03420	5.5
69.06741	0.7
69.07066	10.2
71.04972	0.7
71.53036	1.3
73.02915	2.9
78.77725	0.6
79.05483	24.3
80.05769	0.6
81.03375	1.8
81.07046	32.3
83.04963	2.9
83.08603	21.1
85.02895	10.6
85.06531	2.0
87.75893	0.6
91.03951	8.5
91.05470	10.5
93.07033	24.3
95.04935	1.9
95.08595	21.4
97.02873	5.0
97.06526	1.4
97.10155	46.8
99.04388	0.9
99.08066	0.9
101.09612	0.6
105.07011	8.6
107.04951	0.8
107.08578	24.7
107.09303	1.3
109.06497	1.3
109.10139	13.0
111.08064	2.6
117.06997	3.8
119.08569	6.2
121.09335	0.9
121.10129	11.4
123.08018	0.8
123.11715	4.6
124.94008	0.6
125.09611	46.3
126.09977	0.7
127.03905	2.1
128.99614	0.6
131.08566	5.3
133.10098	6.6
135.08052	4.3
135.11665	6.9
137.09604	1.0
137.13228	1.3
143.10622	2.7
145.04936	2.9
145.10091	4.0
147.11699	3.6
149.13211	5.2
153.09036	4.2
153.12650	1.1
159.11670	4.0
161.13234	3.1
163.06009	4.1
163.14825	2.4
171.10115	2.1
173.13292	3.5
175.14844	1.3
177.16422	1.1
187.14786	2.4
189.11189	41.2
190.11360	0.6
201.16374	1.0
227.12747	72.2
228.13141	1.6
233.22606	0.9
243.21043	7.8
245.13815	100.0
246.14122	1.8
261.22110	27.7
262.22437	1.1
279.23203	3.8
316.71274	0.7
317.24667	4.8
335.25751	89.5
336.26099	2.7
353.26828	0.9
413.10590	0.7
431.31671	1.7
487.34201	8.4
488.34274	0.8
505.35159	78.0
506.35449	3.7
523.36218	5.9
602.37244	0.7
864.52972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.8
65.03944	1.0
67.05505	8.7
69.03416	3.7
69.07067	3.5
71.52911	1.6
73.02907	3.0
79.05479	8.2
81.03404	5.3
81.07053	8.0
83.08604	2.5
85.02891	5.3
86.09686	2.4
91.03952	3.3
91.05464	5.0
93.07044	4.9
95.04990	1.4
95.08595	5.2
97.02888	4.4
101.02367	1.7
105.07027	3.3
107.08588	2.7
109.02864	1.2
109.10155	1.5
116.15843	1.0
117.07027	1.6
119.08576	3.2
121.10134	2.2
122.77086	1.0
127.03887	1.9
131.08582	1.6
133.10068	1.8
135.11696	2.1
136.06168	70.7
137.06598	6.4
145.10149	1.6
147.11667	1.4
152.05690	2.7
156.20836	1.0
175.11279	1.0
184.07375	3.4
193.12367	1.1
193.85693	1.0
243.08379	2.5
267.16022	1.5
333.20377	3.7
335.25934	2.8
336.25961	1.4
389.22974	1.4
439.19675	2.2
469.20490	1.5
528.37701	1.2
551.28107	10.3
583.17377	1.1
681.43237	1.6
687.61823	1.0
699.45233	4.1
861.49481	100.0
862.49554	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92788	2.8
61.02930	2.7
65.03934	2.7
66.72189	2.4
67.05498	100.0
69.07057	13.6
69.19191	27.7
71.05000	2.7
73.02902	4.1
79.05485	44.5
79.61324	2.9
81.03417	9.3
81.07047	63.1
83.04968	7.1
83.08595	18.0
85.02893	12.4
85.06555	3.5
87.04452	5.2
87.59708	2.5
90.54187	2.3
91.05470	21.7
93.07029	43.5
94.07386	2.9
95.04957	8.2
95.08592	34.2
97.02879	3.1
97.06491	3.7
97.10164	14.6
98.20709	5.6
105.07040	16.9
107.08577	24.1
109.10141	52.6
117.07011	5.7
119.08573	14.5
121.10130	15.7
123.11707	6.0
125.09615	14.3
127.84222	2.9
131.08530	9.5
133.10115	10.6
135.11674	13.7
137.09668	4.0
145.10103	10.3
147.11713	5.5
149.13264	5.2
153.12721	4.6
155.10646	3.0
163.11194	7.8
163.14722	3.0
173.11755	19.9
173.13185	5.4
199.13248	5.3
209.11729	5.2
227.12682	4.4
229.14323	35.1
261.22049	12.5
301.16434	12.5
317.24539	3.1
335.25775	67.8
399.23807	15.3
477.35809	4.2
489.35510	15.1
561.37683	4.1
654.84857	3.7
659.45105	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.7
65.03935	3.6
65.21581	1.5
67.05497	80.2
69.03418	9.9
69.04814	1.4
69.07063	40.2
69.29243	14.1
71.04973	8.0
79.05485	63.8
80.05855	1.6
81.03407	16.5
81.07046	100.0
83.04980	15.1
83.08612	20.3
85.02895	5.8
85.06531	5.5
91.05470	58.5
92.25723	1.5
93.07034	76.7
95.04955	16.4
95.08597	42.5
97.02890	5.9
97.06519	21.2
97.10157	7.9
99.04431	1.7
99.08061	4.8
105.04517	1.7
105.07025	45.5
107.04929	11.0
107.08583	46.4
109.02880	1.8
109.06511	11.3
109.10139	16.4
111.04429	3.0
111.08081	7.7
115.05419	2.8
117.06995	25.8
119.07699	2.2
119.08566	36.9
119.09373	2.6
121.06490	7.3
121.10128	26.6
123.08044	5.9
123.11689	5.8
124.98131	2.0
125.09617	4.7
127.03901	4.1
129.05508	2.4
129.06993	9.9
130.25316	1.6
131.08554	26.4
133.06509	2.8
133.10120	35.4
135.08023	7.5
135.11664	24.9
137.09610	4.3
141.06973	4.3
143.08522	7.5
145.10117	20.6
147.08022	2.1
147.11664	14.3
149.09618	14.9
149.13222	18.2
151.11163	5.0
155.08519	5.4
157.10110	8.8
159.07985	1.6
159.11674	23.1
161.09621	2.9
161.13283	4.7
163.11136	13.9
163.14882	2.0
165.12799	3.5
165.14365	1.4
167.08533	2.6
169.10132	5.9
171.11633	8.6
173.04440	3.2
173.09669	2.8
173.13237	9.3
175.11209	1.9
175.14803	1.9
177.12761	8.5
179.10715	1.9
179.14293	4.9
181.10118	2.8
181.12279	3.2
183.11617	3.4
184.07220	2.4
185.13248	4.5
187.11127	2.3
187.14784	2.2
189.11159	3.5
193.12207	1.8
195.08107	1.6
195.11841	3.0
195.13795	13.1
197.13251	4.1
199.14882	2.5
201.12837	2.3
211.14845	2.5
213.14745	3.2
213.79410	1.4
215.17921	1.9
227.12724	4.8
228.13083	1.4
229.19482	3.3
233.15437	1.7
235.16702	1.4
239.14429	1.9
239.17892	6.0
247.20737	3.9
251.16396	1.6
255.15836	20.2
257.18991	12.0
261.18906	1.4
267.15909	4.3
269.17453	59.2
270.17752	2.1
275.20035	49.7
276.20322	2.8
291.19485	2.1
293.21078	5.0
331.22556	3.4
349.23682	40.3
350.24106	2.7
367.24899	7.4
413.21658	2.0
431.28284	2.5
433.30289	2.1
435.27341	4.8
445.29575	3.1
449.28937	28.6
451.31949	2.3
463.30554	41.1
464.30682	2.0
525.35388	5.8
526.77203	1.8
529.35272	8.4
543.36749	40.1
544.37311	3.7
547.36346	3.3
561.37970	8.7
607.34406	2.9
623.42584	4.5
641.43237	3.5
670.89929	1.9
857.46545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	10.9
61.03223	2.9
67.05499	57.6
69.03409	10.7
69.07071	30.7
71.04982	4.1
71.52607	3.7
73.02910	7.9
79.05484	40.5
81.03400	11.3
81.06591	4.1
81.07046	55.6
83.04965	14.5
83.08608	11.6
85.02878	8.9
85.06539	4.3
85.38893	3.4
91.03939	4.0
91.05477	40.5
93.07031	38.0
95.04951	12.9
95.08606	28.5
97.02879	15.6
97.06532	5.5
97.10137	8.2
99.04428	3.1
99.67795	2.8
105.07021	35.1
107.04930	9.8
107.08581	28.3
109.02824	3.8
109.06493	7.9
109.10136	23.0
111.08064	3.3
117.07015	14.6
119.08558	24.0
121.06469	5.6
121.10112	14.9
123.08056	4.1
123.11604	3.4
125.09624	7.8
127.03933	3.6
129.06992	4.6
131.08568	18.2
133.06502	3.9
133.10124	28.6
135.08061	10.2
135.11650	7.0
137.09460	5.1
138.88353	3.5
145.10089	11.4
147.11653	8.5
149.09604	6.3
149.13223	9.4
151.11154	8.3
157.10106	5.3
159.11636	8.8
161.09518	3.6
163.11002	3.1
171.11621	5.5
223.13191	10.2
227.12694	8.3
243.08371	3.7
253.14380	21.4
269.17465	15.2
273.18451	18.1
275.20078	18.7
291.19495	61.1
317.22086	3.2
323.30774	3.4
335.25696	5.3
347.22211	4.8
349.23740	13.8
365.23224	29.0
405.13535	4.2
414.17865	4.1
520.29150	5.0
541.35468	4.6
545.34631	13.2
559.36414	46.9
639.42230	12.9
657.43323	3.9
682.34656	5.8
852.83887	4.0
854.45856	100.0
855.45721	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	856.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	48.3
67.05131	3.8
67.05496	63.8
68.61115	2.2
69.03416	5.9
69.07047	9.8
71.04981	3.0
71.52283	3.1
73.02906	16.9
76.41947	2.1
77.02290	2.0
79.05069	3.1
79.05490	34.5
81.03416	4.0
81.07047	80.3
83.04991	2.2
83.08598	7.6
85.02895	65.1
85.06528	2.1
86.09707	2.4
91.03944	57.4
91.05468	18.2
93.07034	49.1
95.04945	4.1
95.08600	58.3
97.02878	29.2
97.06489	2.7
99.04440	3.5
99.08057	2.7
105.07018	14.6
107.04922	1.9
107.08573	35.2
109.06503	3.0
109.10141	32.9
115.03873	4.8
116.98513	2.1
117.07000	8.5
119.08583	15.7
121.10135	32.8
123.11704	17.0
125.09624	2.4
127.03918	23.5
129.06973	3.1
131.08549	21.6
133.10117	14.8
135.11662	25.5
137.09619	3.6
137.13225	6.5
145.04938	35.0
145.10101	13.4
147.11641	10.2
149.13243	17.7
159.11667	11.5
161.13193	9.8
163.06000	65.3
163.14771	12.4
165.12720	4.5
173.13231	11.9
175.14709	2.5
177.16386	4.5
183.61346	2.2
184.07329	6.1
187.14827	9.5
201.16370	3.7
229.14297	2.5
233.22572	3.6
243.21062	37.9
244.21245	3.0
261.22110	100.0
262.22354	3.7
279.23245	4.4
325.11627	4.4
335.25757	40.7
336.26111	2.5
353.26843	83.6
354.27179	5.5
361.27084	2.2
497.30896	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.8
67.04287	2.0
67.05133	3.8
67.05499	87.5
69.03413	10.5
69.07060	38.6
69.30906	19.3
71.04965	8.7
79.05484	74.0
81.03420	15.2
81.07044	100.0
83.04967	18.4
83.08624	16.3
85.02879	7.5
85.06531	4.2
91.05472	66.4
93.07038	79.9
95.04958	17.0
95.08599	44.7
97.02873	7.8
97.06536	18.2
97.10150	9.5
99.04419	3.0
99.08061	3.2
105.07027	49.9
107.04977	12.0
107.08586	43.4
109.06507	12.4
109.10149	16.1
111.08046	6.4
115.05460	3.1
117.07003	23.2
119.07816	3.4
119.08572	42.8
121.06477	8.0
121.10131	25.6
123.08018	7.1
123.11697	5.2
125.09612	5.8
127.03930	5.9
129.06973	13.7
131.08571	30.9
133.06543	3.1
133.10127	37.3
135.08057	4.7
135.11668	21.6
137.09560	4.2
141.06934	3.6
143.08548	9.7
145.10110	21.8
147.08040	3.7
147.11684	18.5
149.02376	2.8
149.09601	16.5
149.13231	15.7
151.11142	3.3
155.08554	3.4
157.10097	9.6
159.07878	2.6
159.11684	20.4
161.09645	2.3
161.13203	6.8
163.11139	14.1
169.10062	5.9
171.11658	6.8
173.04460	2.6
173.13173	8.7
175.11223	4.3
177.12781	6.2
179.14232	4.6
183.11713	4.3
184.07257	3.1
185.13136	3.4
189.11185	3.7
193.04950	2.8
195.13753	7.8
197.13142	4.2
213.16351	3.1
215.17830	2.3
227.12755	8.3
239.17891	6.7
247.20543	4.9
251.16353	2.4
255.15915	16.3
257.18988	13.5
267.15921	5.2
269.17422	43.2
274.51541	2.1
275.20078	45.2
293.20938	3.6
297.33340	2.2
309.20721	3.2
347.34888	2.2
349.23676	43.6
367.24738	7.8
383.22263	2.2
423.27225	2.7
435.27335	2.7
449.28812	23.1
463.30505	24.5
525.35437	3.5
529.34943	7.3
543.36786	39.4
561.37238	4.4
623.42743	6.8
641.43518	5.9
643.38397	2.8
857.47150	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	12.6
65.03921	1.7
67.05499	31.0
69.03429	9.2
69.07057	9.9
69.87892	4.9
71.01313	0.9
71.04974	7.6
73.02895	3.5
77.03947	1.1
79.05487	36.3
80.45576	0.9
81.03413	98.8
81.07046	37.8
82.03743	1.3
83.04973	22.5
83.08610	33.9
85.02899	45.1
85.06509	3.2
87.04450	1.6
91.03939	8.2
91.05474	48.3
93.07039	25.9
95.04961	41.9
95.08601	13.5
96.04527	1.0
97.02878	12.9
97.06544	5.7
97.07062	1.0
97.10171	7.9
99.04447	1.2
99.08068	2.0
105.07027	33.2
107.04959	11.1
107.08575	9.2
109.02872	1.9
109.06517	7.3
109.10144	4.8
111.04430	4.0
111.08070	14.7
113.05978	3.5
115.05434	2.5
117.03354	1.5
117.07000	3.5
119.04971	1.6
119.08572	27.8
120.08125	1.3
121.06501	3.5
121.10126	12.1
123.08060	5.1
123.11687	1.9
125.09622	2.9
127.03897	4.0
127.07556	1.2
128.06221	1.4
129.06990	16.0
131.08556	17.4
133.06482	3.9
133.10121	17.5
135.08040	1.8
135.11703	1.2
137.09579	3.0
142.07765	4.2
145.02800	3.3
145.04965	2.0
145.10088	2.8
147.04379	3.9
147.08086	5.7
147.11676	25.7
149.05978	1.2
149.09598	10.2
157.10123	22.8
163.03902	1.2
163.06029	2.0
163.11127	1.9
165.12782	5.7
173.13222	1.4
175.11176	22.4
177.05504	5.8
177.12718	1.1
178.05658	0.8
193.12230	64.3
194.12523	1.3
209.65964	0.9
211.13275	94.8
227.12761	1.1
249.14793	1.3
267.15900	47.9
273.14941	1.0
285.16943	92.4
286.17374	1.3
367.22571	3.0
385.23798	5.6
403.24609	1.9
427.23358	1.0
433.25781	3.6
441.26208	1.4
459.27393	36.1
459.33890	1.9
477.28464	39.0
478.28592	1.8
495.29507	100.0
496.29562	1.4
562.11450	0.9
639.33618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	10.9
61.03223	2.9
67.05499	57.6
69.03409	10.7
69.07071	30.7
71.04982	4.1
71.52607	3.7
73.02910	7.9
79.05484	40.5
81.03400	11.3
81.06591	4.1
81.07046	55.6
83.04965	14.5
83.08608	11.6
85.02878	8.9
85.06539	4.3
85.38893	3.4
91.03939	4.0
91.05477	40.5
93.07031	38.0
95.04951	12.9
95.08606	28.5
97.02879	15.6
97.06532	5.5
97.10137	8.2
99.04428	3.1
99.67795	2.8
105.07021	35.1
107.04930	9.8
107.08581	28.3
109.02824	3.8
109.06493	7.9
109.10136	23.0
111.08064	3.3
117.07015	14.6
119.08558	24.0
121.06469	5.6
121.10112	14.9
123.08056	4.1
123.11604	3.4
125.09624	7.8
127.03933	3.6
129.06992	4.6
131.08568	18.2
133.06502	3.9
133.10124	28.6
135.08061	10.2
135.11650	7.0
137.09460	5.1
138.88353	3.5
145.10089	11.4
147.11653	8.5
149.09604	6.3
149.13223	9.4
151.11154	8.3
157.10106	5.3
159.11636	8.8
161.09518	3.6
163.11002	3.1
171.11621	5.5
223.13191	10.2
227.12694	8.3
243.08371	3.7
253.14380	21.4
269.17465	15.2
273.18451	18.1
275.20078	18.7
291.19495	61.1
317.22086	3.2
323.30774	3.4
335.25696	5.3
347.22211	4.8
349.23740	13.8
365.23224	29.0
405.13535	4.2
414.17865	4.1
520.29150	5.0
541.35468	4.6
545.34631	13.2
559.36414	46.9
639.42230	12.9
657.43323	3.9
682.34656	5.8
852.83887	4.0
854.45856	100.0
855.45721	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	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	18.1
65.03588	1.0
65.03928	3.2
67.05498	100.0
69.03422	6.3
69.07059	18.6
70.70074	1.7
70.70429	1.9
71.01350	1.3
71.04987	11.7
73.02907	8.5
79.05022	1.6
79.05486	46.5
81.03411	15.3
81.07047	91.0
82.07379	1.2
83.01331	1.3
83.04969	10.6
83.08609	21.0
85.02898	30.3
85.06528	6.6
87.04465	3.3
91.03936	13.6
91.05473	28.4
93.07033	48.8
95.04958	9.5
95.08600	21.6
96.58849	1.1
97.02882	14.8
97.06518	12.2
97.10162	11.6
99.04445	2.4
99.08072	2.8
103.03937	2.5
105.07018	13.2
107.04948	4.6
107.08585	32.3
109.02880	1.8
109.06518	4.4
109.10146	51.2
111.04434	2.0
111.08076	8.4
111.52229	1.0
113.06017	1.8
116.04794	1.0
117.06999	9.7
119.04876	1.2
119.08567	8.7
121.06512	3.1
121.10134	14.4
123.08055	2.9
123.11684	8.0
125.05959	1.0
125.09625	11.4
127.03919	4.8
129.05479	5.3
129.06989	3.0
131.08562	10.4
133.10124	18.9
135.08049	2.9
135.11673	13.3
137.09612	2.9
140.93730	1.0
143.10666	2.1
145.04929	5.9
145.10127	4.5
147.04375	2.3
147.08020	1.4
147.11685	4.2
149.09605	3.0
149.13237	19.9
151.11203	3.2
153.12759	2.9
155.10655	2.3
157.10162	2.0
159.11671	10.8
163.06023	6.5
163.11165	7.6
165.12756	3.0
167.14415	1.0
173.09633	1.5
173.11729	14.1
175.11258	1.3
177.12701	7.7
180.62479	1.1
181.12202	2.5
183.13719	1.4
185.11723	1.5
191.10654	2.9
193.12263	4.5
195.13788	17.6
199.13353	5.5
209.11624	6.3
211.13268	3.5
213.14871	3.2
227.12752	7.4
229.14320	41.4
230.14607	1.5
239.16428	4.1
247.72144	1.1
257.13831	4.2
265.14331	2.1
267.15900	10.6
269.17441	71.1
270.17648	1.6
283.15347	7.1
285.17020	1.8
295.19165	1.4
297.16891	1.3
301.16431	13.6
301.20004	3.2
323.21881	1.0
357.24188	1.5
393.26236	2.7
402.04089	1.1
411.27325	7.1
423.27359	52.3
424.27307	2.0
431.27853	1.7
437.28906	19.7
449.29089	1.9
451.30609	1.8
463.30530	14.9
477.28537	3.9
495.28824	93.9
496.29779	4.2
513.30585	28.8
582.17712	1.2
591.36444	1.2
639.35809	1.6
816.25232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	17.5
65.03930	3.0
66.52442	1.0
67.05496	92.2
69.03427	6.7
69.07060	14.1
70.18200	4.7
71.01350	2.3
71.04982	6.5
73.02908	7.5
79.05012	2.0
79.05482	38.4
81.03412	17.1
81.07047	66.3
83.04980	9.2
83.08605	19.5
85.02894	27.5
85.06512	5.2
87.04469	4.6
91.03952	12.1
91.05465	30.3
93.07030	39.3
93.07620	1.3
95.04949	8.6
95.07999	1.2
95.08595	22.0
97.02880	12.0
97.06509	10.4
97.10162	12.2
99.04457	3.0
99.08072	1.8
103.03985	1.5
105.04433	1.2
105.07018	12.9
107.04951	4.9
107.08578	27.3
109.06492	3.8
109.10145	51.6
111.04423	3.0
111.08047	6.8
115.03887	1.5
116.04664	1.2
117.07001	8.4
119.08569	10.6
121.06483	2.9
121.10123	11.4
123.08060	3.0
123.11697	4.4
125.06012	1.4
125.09613	13.6
127.03898	4.4
129.05460	5.8
129.06952	2.3
131.08531	9.4
133.10112	13.9
135.08046	3.0
135.11687	10.0
137.09604	3.4
143.07024	1.5
143.10654	1.7
145.04977	5.9
145.06071	1.1
145.10107	6.0
147.04414	2.3
147.11664	4.7
149.09624	2.5
149.13246	9.7
151.11159	2.0
153.12735	3.3
155.10631	3.9
157.10124	1.7
159.11690	7.7
163.05965	5.5
163.11151	8.4
165.12759	4.0
173.09583	2.6
173.11732	16.1
175.11256	2.6
177.12752	3.6
181.12164	2.5
185.11682	1.7
189.11166	1.3
191.10661	4.4
193.12193	5.8
195.13765	11.3
199.13338	4.9
209.11743	6.2
211.13298	5.9
213.14856	1.6
227.12756	10.0
229.14323	53.5
239.16359	5.9
257.13879	1.7
265.14346	2.1
267.15857	13.0
269.17435	57.7
270.17957	1.8
283.15378	7.4
295.19159	1.5
301.16431	21.6
313.16406	2.2
323.18317	3.0
357.24451	1.5
393.26257	3.9
411.27252	5.6
422.26877	1.2
423.27383	43.2
431.27872	4.0
449.29132	2.7
459.27252	1.6
463.30637	1.9
477.28360	4.7
495.29434	100.0
496.29785	2.2
513.30560	29.8
515.43744	1.3
639.35077	1.2
701.11761	1.3
776.67810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89729	0.7
65.03918	3.6
67.01827	1.3
67.05486	1.5
68.99776	13.7
70.06587	0.8
71.52370	1.3
77.03909	1.3
79.05466	2.8
81.03410	6.0
83.04976	1.1
89.03888	1.8
91.05450	6.2
93.03349	1.5
94.59339	0.7
95.04945	6.1
96.41486	0.7
99.04448	1.4
100.84408	0.7
103.05450	1.4
105.03365	1.6
105.06988	0.9
107.04933	91.2
108.05308	2.2
109.02850	6.1
111.00779	9.1
111.04420	10.0
115.05419	1.8
117.03364	1.5
117.06944	1.2
119.04920	58.1
121.02837	7.7
123.04408	90.1
124.04720	2.1
127.03892	100.0
128.04254	1.8
128.06192	0.9
129.06982	1.9
131.04890	7.0
133.06448	5.6
135.04391	55.3
137.02328	5.5
137.05937	1.3
139.03871	54.9
140.04265	1.1
141.06955	2.6
143.04886	1.8
145.02730	1.2
145.06474	10.1
147.04381	57.1
148.04781	1.3
149.02315	11.6
149.05936	3.1
151.03874	24.8
153.06921	1.6
155.04857	2.0
157.06474	5.1
159.04422	5.6
159.07980	1.2
161.02217	1.0
161.05957	10.8
163.03879	53.0
164.04248	1.5
165.01810	2.2
165.05426	6.9
165.06845	1.1
167.03384	16.2
167.04781	1.6
169.06398	4.1
170.89412	0.8
171.04373	9.8
171.08031	1.1
173.02332	1.2
173.05971	5.6
175.03844	5.1
175.07475	0.9
176.04439	0.9
177.05431	7.7
179.03360	17.0
179.06981	1.2
181.04973	1.8
181.06436	3.0
183.04439	2.2
183.08026	1.3
185.05917	5.9
186.06750	0.9
187.03835	10.0
187.07487	3.5
189.01802	1.0
189.05418	10.2
190.02496	1.8
191.03328	13.8
193.04866	3.3
194.87184	0.8
197.05934	9.7
199.03809	1.0
199.07509	3.6
200.04672	1.2
201.05435	10.9
203.03329	17.3
203.06999	4.1
204.03882	1.2
205.04938	4.2
207.02773	1.3
207.06412	2.1
211.07449	1.1
213.05402	10.0
213.07225	1.0
215.03345	7.7
215.06892	6.2
216.04068	2.5
217.04930	4.4
219.06374	1.0
221.06094	1.0
223.02319	2.9
225.05434	5.0
227.03415	1.9
227.06914	3.9
229.04924	14.2
231.02802	2.4
231.06470	36.1
233.04378	6.9
235.02319	1.7
237.05437	2.2
239.07016	4.3
241.04881	4.6
243.02844	2.5
243.06503	18.6
244.03664	8.9
244.82172	0.8
245.04417	40.9
245.08000	4.2
246.04689	1.4
247.05971	39.0
248.06337	1.4
253.04927	3.5
255.02802	0.9
255.03413	0.9
255.06462	14.4
257.01776	1.6
257.04404	23.0
257.07925	2.5
258.05081	2.5
259.06033	5.3
261.03888	1.3
261.07513	3.2
265.04974	1.6
267.06488	18.9
268.06970	1.0
269.04370	9.4
269.07785	1.8
270.04941	2.0
271.05948	27.0
272.06290	1.2
273.04330	2.0
273.07498	40.0
274.04691	17.2
274.07877	2.3
275.05399	15.6
276.05743	1.0
277.05264	1.1
279.06433	2.6
281.04431	3.2
281.08014	0.9
283.05984	5.7
285.03894	11.3
285.07498	21.9
286.04623	3.2
287.05453	31.6
288.05551	1.0
289.06973	16.9
291.08588	28.1
293.04327	1.3
295.05890	5.7
297.03867	3.5
297.07553	5.1
299.05469	11.0
301.07062	3.4
303.04926	5.7
303.08554	2.8
305.07947	1.4
307.05978	4.7
309.03900	4.9
309.07205	1.4
311.05377	3.7
313.07095	1.9
315.05173	2.0
315.08542	3.3
319.05887	1.4
321.04077	1.4
321.07596	2.5
323.05441	2.6
323.09021	1.7
325.06940	1.6
329.07501	1.2
337.06836	1.4
345.07697	4.3
347.09082	2.3
349.06967	3.5
351.05081	4.3
351.08670	1.5
361.06821	0.9
363.04919	1.5
363.08636	7.3
365.10071	1.3
367.08023	5.2
373.06949	2.2
375.08585	3.4
377.06137	1.0
379.08014	2.7
381.09747	3.8
391.08051	36.9
392.08466	1.7
393.05710	4.5
393.09863	30.3
394.09854	1.5
395.07349	1.2
395.11349	6.5
396.07709	1.3
403.07965	9.2
405.05328	6.6
405.09897	2.6
407.07440	3.7
409.09122	26.8
410.09598	1.8
411.10712	15.8
415.08115	2.1
417.09814	5.0
419.06708	1.2
419.11594	1.6
421.09125	18.7
423.10660	2.5
425.08521	2.5
427.10187	8.6
433.09100	4.8
435.10953	6.5
437.08432	2.6
439.10080	2.2
451.10043	2.0
453.11853	1.3
501.11469	4.5
511.09937	3.6
513.11725	1.6
519.12720	1.9
525.11560	3.2
527.09192	2.4
529.11011	2.8
543.12555	3.6
545.10278	5.3
555.12506	2.0
557.10229	1.7
561.13599	3.6
563.15338	6.3
571.11871	0.9
679.14038	1.4
681.15948	4.1
697.15326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.0
65.05281	0.7
66.31386	0.6
67.05486	1.5
68.99781	11.7
70.83820	1.7
77.03929	1.3
79.05480	1.9
81.03398	2.1
83.04963	0.9
85.02892	0.9
89.03924	0.9
91.05468	7.7
93.03407	1.2
95.04957	9.9
97.02868	0.8
103.05448	0.9
105.03352	1.3
105.07023	1.4
107.04940	100.0
108.05278	1.6
109.02881	2.8
111.00797	9.9
111.04420	7.4
115.05437	1.6
117.03381	1.5
117.06981	1.5
119.04923	54.5
120.05281	0.8
121.02843	7.3
123.04410	68.2
124.04700	1.2
127.03899	71.8
131.04930	1.9
133.06483	6.7
135.04391	44.4
135.41573	0.6
137.02322	3.9
137.05966	1.3
139.03885	63.1
140.04253	1.1
140.86270	0.6
141.06898	0.9
143.04886	1.3
145.06465	7.7
147.04388	45.5
149.02321	13.7
149.05917	1.8
151.03888	22.6
153.01804	0.9
153.07033	1.0
155.04918	0.8
155.06046	0.9
157.06485	6.0
159.04410	3.0
161.02336	1.0
161.05946	8.9
163.03882	53.2
164.04321	1.3
165.01826	1.6
165.05504	7.3
165.06833	0.9
167.03391	15.1
167.04758	1.2
169.04977	2.4
169.06476	2.4
171.04367	8.6
171.05510	0.8
171.07970	1.0
173.05931	3.7
175.03880	4.2
175.07489	0.9
176.04689	0.7
177.05443	9.0
179.03365	12.7
180.03949	0.7
181.04961	2.5
181.06488	3.5
183.04420	1.3
185.05946	7.6
187.03854	9.6
187.07487	3.1
189.01776	0.9
189.05428	11.0
190.36021	0.7
191.03354	14.9
193.04909	3.3
195.04456	0.7
197.06012	3.8
199.03958	1.0
199.07532	2.5
201.05450	7.7
203.03371	16.0
203.07001	4.2
205.04926	4.0
207.02734	1.6
207.06436	1.5
211.03961	0.9
211.07484	0.7
213.05447	9.9
215.03389	4.4
215.06931	4.0
216.04207	1.1
217.04970	3.5
219.02827	0.8
223.02330	2.7
225.05482	2.3
227.03497	1.2
227.06966	4.7
229.04927	11.8
230.05511	0.8
231.06482	62.4
232.06895	2.2
233.04463	6.6
237.05440	2.5
239.07018	1.8
241.04912	5.5
242.05624	0.7
243.02997	0.8
243.06453	9.1
244.03616	1.5
245.04425	74.0
245.07993	4.1
246.04834	2.7
247.03461	1.4
247.05995	23.9
251.05312	1.2
253.04926	2.9
255.04065	0.6
255.06474	19.6
257.04395	20.5
257.08295	1.3
258.05139	2.1
259.05988	11.4
260.06689	1.7
261.07373	0.8
263.05423	2.5
265.04984	1.5
267.06451	3.2
269.04361	6.8
269.07242	0.8
270.05054	1.0
271.05963	19.4
271.08795	1.1
272.06293	1.1
273.04337	1.2
273.07541	24.9
274.04672	5.7
274.07654	1.2
275.05457	33.7
276.05905	1.0
279.06589	1.9
281.04321	3.7
281.07428	0.7
283.05997	14.6
285.03915	3.5
285.07568	5.1
286.04544	1.2
287.05435	27.9
288.05862	1.0
289.07019	20.5
290.07471	0.8
291.08640	26.3
293.04459	0.8
295.05954	3.4
297.03894	3.9
297.07596	2.3
299.05438	8.2
301.07022	17.1
303.05331	0.9
303.08719	3.2
307.05954	2.6
309.04089	3.3
309.07336	1.2
311.05463	3.7
312.05450	0.7
313.07083	2.7
319.05746	1.0
321.07513	1.1
323.05496	3.7
323.08810	0.8
325.07025	1.8
327.05182	1.0
329.07056	1.2
333.07312	1.1
337.07101	1.4
339.08875	0.8
345.07562	1.5
347.09158	1.4
349.06836	0.8
351.04874	4.2
361.07074	2.4
361.75177	0.7
363.04700	0.8
363.08792	1.5
365.06519	2.6
365.10513	0.8
373.07147	1.4
375.08646	3.0
377.06543	1.1
379.08081	3.5
380.08841	2.1
381.09686	11.8
383.07462	3.5
389.06470	1.6
391.08118	6.6
393.05740	4.3
393.10083	14.5
395.07568	2.5
399.08588	0.7
403.08234	3.2
405.05560	6.8
405.10608	1.3
406.06339	1.1
407.07523	26.3
408.07947	0.8
409.09143	27.5
410.09399	1.4
411.10764	7.9
415.07614	0.8
417.10083	3.9
419.07513	4.9
421.09033	6.6
423.06763	0.8
425.08621	10.2
427.05988	0.7
427.10236	20.0
433.09299	1.9
435.11252	4.2
437.08630	12.0
439.10226	2.5
449.08530	1.2
451.10165	2.2
453.11551	1.4
469.11398	1.2
501.11807	2.9
511.10159	2.6
519.12860	2.0
523.83521	0.7
525.11621	2.2
527.09692	2.6
529.11255	1.5
541.11157	0.9
543.12665	1.8
545.10553	6.6
555.12634	2.4
561.14233	3.6
563.15094	0.9
573.13751	1.3
579.14856	5.3
663.14642	2.5
681.15894	2.1
683.17358	1.0
697.14996	1.9
699.17047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85490	0.6
60.32896	0.5
63.02362	0.8
65.03934	3.6
67.05484	1.7
68.01080	0.6
68.99436	1.3
68.99781	13.0
70.06595	0.8
77.03938	1.4
79.05475	2.4
81.03399	3.5
82.09922	0.6
83.04961	1.6
85.02892	1.9
89.03909	1.8
91.05465	8.9
93.03371	0.7
95.04955	9.1
99.04438	0.8
99.15735	0.7
103.05489	1.6
105.04521	0.7
105.07021	1.1
107.04943	100.0
108.05283	1.6
109.02851	1.7
111.00780	13.6
111.04427	8.1
115.05464	2.4
117.03362	1.1
117.07001	1.4
119.04927	55.6
120.05245	1.3
121.02852	8.0
123.04414	66.2
124.04749	1.0
127.03902	66.4
128.06201	0.9
131.04921	4.3
133.06480	6.6
135.04398	43.7
136.04744	1.3
137.02333	3.5
137.06006	2.0
139.03885	63.5
140.04271	1.1
141.06952	0.9
143.04825	1.2
145.02827	1.3
145.06473	9.6
145.07513	1.0
147.04393	46.3
149.02327	15.1
149.05959	1.9
151.03880	23.7
152.04276	1.0
153.01842	1.1
153.05391	0.8
153.06993	1.4
155.04938	1.2
157.06442	6.2
159.04375	3.5
159.08072	0.9
161.02315	1.3
161.05974	8.5
163.03886	56.4
165.01785	2.0
165.05487	7.0
165.06850	1.3
167.03394	13.9
167.04765	1.3
169.04965	3.3
169.06483	3.8
171.04378	9.2
173.02339	1.1
173.05962	4.3
175.03876	5.4
175.07602	1.6
177.05455	9.9
179.03368	13.3
181.05089	1.2
181.06502	3.3
183.04439	1.1
185.05957	8.4
187.03850	9.1
187.07472	3.3
189.01854	1.5
189.05443	10.2
191.03366	17.2
193.04881	4.0
193.06447	0.7
195.04364	0.9
197.05968	4.0
199.03958	0.8
199.07555	3.3
201.05460	7.5
202.05978	0.8
203.03363	16.8
203.06927	5.2
205.05020	3.9
207.02902	0.8
207.06529	1.9
209.06035	1.4
211.07510	0.8
213.05435	9.4
215.03392	5.4
215.06918	3.9
216.04210	1.4
217.04927	3.9
219.06538	0.7
221.04491	0.8
223.02353	2.9
225.05466	1.8
227.03372	1.5
227.07011	5.7
229.04927	13.2
230.05212	0.8
231.02957	1.6
231.06499	63.1
232.06859	2.0
233.04356	6.3
235.02304	1.1
237.05434	1.8
239.06947	2.0
241.04948	4.2
242.05721	2.0
243.02924	1.5
243.06491	8.7
244.03697	2.0
244.07161	1.1
245.04428	86.0
245.07922	3.3
246.04787	2.5
247.05948	19.1
248.06299	0.9
251.05295	1.2
253.04970	3.6
255.02794	0.7
255.03650	1.0
255.06485	18.6
257.04431	20.1
258.05240	3.5
259.06021	10.9
261.07611	0.7
263.05457	1.9
265.04944	1.8
267.06467	4.0
269.04449	7.4
269.07446	1.0
270.05161	1.1
271.05963	16.9
273.04279	1.4
273.07526	25.3
274.04697	4.7
274.07449	1.2
275.05450	30.8
279.06561	1.9
281.04391	3.1
283.05991	14.4
284.06332	1.0
285.03989	3.7
285.07565	4.4
286.04672	1.2
287.05447	26.6
288.05811	1.0
289.03848	1.4
289.07059	19.6
290.07581	1.1
291.08652	19.5
293.04611	1.1
295.06033	4.3
297.03888	2.7
297.07578	3.3
299.05484	8.8
301.07010	13.9
303.05292	0.9
303.08716	2.7
305.04495	0.7
307.06012	2.8
309.03937	3.0
309.07404	0.9
311.05457	3.6
313.07019	3.1
315.05002	1.0
317.08228	0.9
319.06039	1.3
321.07358	1.9
323.05612	5.1
325.07141	1.1
329.06726	1.0
331.08170	0.9
333.07455	0.8
335.05722	1.1
345.07425	1.7
347.09207	1.0
349.07162	1.2
351.04959	3.4
351.08755	1.1
361.07077	2.6
363.04767	0.9
363.08719	1.6
365.06448	2.0
365.10641	1.2
373.07166	1.2
375.04657	0.8
375.08731	3.1
377.06323	1.8
379.07996	5.9
380.08789	1.2
381.05490	1.2
381.09702	11.4
383.07626	5.2
389.06357	2.4
389.10669	1.1
391.08066	6.8
393.05728	4.4
393.10071	11.6
395.07541	1.9
403.08109	2.5
405.05539	5.8
407.07480	25.4
408.08313	0.9
409.09143	24.5
411.10663	6.5
417.10172	3.7
419.07367	4.9
421.09131	6.3
423.06479	0.9
425.08572	10.3
427.10187	14.1
428.10129	0.9
429.06424	0.9
433.08990	2.3
435.11078	4.7
437.08597	10.2
439.10251	2.2
449.08820	2.5
451.10550	3.7
453.11697	1.2
469.11194	1.0
501.11728	2.8
511.10098	2.9
519.12665	2.0
525.11639	2.0
527.09558	2.1
529.11133	3.0
543.13135	3.0
545.10699	6.7
555.12915	2.7
557.10938	1.6
558.24023	0.7
561.14148	2.4
573.13690	0.9
579.14954	5.6
663.14948	2.0
670.80713	0.8
681.15881	3.5
697.15125	3.0
699.16895	1.0
715.16443	1.4
873.73688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	3.7
61.02919	11.8
65.03932	1.3
67.05495	94.1
69.03426	3.4
69.07059	7.6
69.38739	1.6
69.39153	4.5
71.04974	3.8
73.02908	4.0
79.05480	20.6
79.05914	1.4
81.03410	1.8
81.07047	36.7
83.04960	1.4
83.08607	8.8
85.02894	12.8
85.06534	2.9
87.04544	0.7
89.08791	0.8
91.03939	7.5
91.05469	13.7
93.07032	23.9
95.04965	1.9
95.08595	23.4
97.02877	6.2
97.06471	1.5
97.10136	1.7
97.83155	0.8
99.04478	1.1
100.48891	0.8
105.07014	7.3
107.08574	11.9
109.06496	0.9
109.10143	74.7
111.08061	4.2
117.07015	2.7
119.08567	12.4
120.29505	0.7
121.10144	9.9
123.11683	4.1
125.09625	1.4
127.03913	4.4
131.08537	4.4
133.10107	5.7
135.11664	7.1
137.09583	3.6
137.13243	1.2
145.04988	3.4
145.10110	3.0
147.11644	3.6
149.13235	3.6
151.14664	0.7
155.10609	4.2
156.28030	0.7
159.11699	3.6
161.13229	3.1
163.06017	5.9
163.14835	3.2
173.11749	22.9
173.13229	3.5
175.14745	0.9
177.16362	1.0
184.07318	2.4
187.14799	2.4
189.11214	1.4
201.16292	0.9
227.12767	6.9
229.14319	100.0
230.15126	2.4
243.21017	5.4
250.59947	0.7
261.22101	18.3
261.24866	1.3
299.23578	1.0
317.24820	3.7
335.25748	62.6
336.25858	1.2
379.29813	2.0
397.30588	1.6
407.72806	0.7
415.31964	1.5
471.34497	1.8
489.35669	45.2
490.35715	1.1
507.37006	5.7
594.15698	0.8
609.08655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04504	0.4
65.03931	6.2
67.05482	0.6
68.04972	0.4
69.03400	0.9
70.06582	26.5
71.08620	3.9
71.53530	0.6
74.06045	0.6
74.90435	0.3
81.03392	0.4
81.07035	0.6
84.08110	0.7
85.10144	1.2
86.09679	0.7
88.07617	29.6
91.05480	0.5
91.70074	0.3
95.04948	0.8
97.02886	0.4
102.09161	24.5
103.01748	0.5
103.05455	0.6
105.03398	0.4
107.08547	0.6
111.04469	0.4
121.02827	3.0
121.46055	0.4
131.04904	0.7
132.10225	0.6
133.02789	1.2
139.03874	3.3
146.11732	0.5
147.04372	1.7
149.02321	100.0
149.03406	6.6
150.02626	0.9
154.28174	0.4
175.03905	3.0
177.05472	2.5
177.90111	0.4
180.04077	0.6
184.07333	1.4
191.07013	1.4
192.15515	0.4
193.04938	50.9
194.05310	0.7
212.23729	1.0
214.36975	0.4
219.06479	2.4
228.23232	0.4
237.07552	12.4
256.26312	78.3
257.26682	2.2
269.04318	1.0
291.50955	0.4
297.04007	1.5
300.28964	1.4
313.06973	1.8
341.06445	4.7
343.08078	0.9
359.07492	2.3
385.09134	7.5
392.78210	0.4
403.10519	0.5
429.11893	1.5
503.02338	0.4
533.11005	0.8
565.25476	0.4
577.13385	9.4
578.14386	0.5
621.15942	14.8
622.16266	0.9
640.34448	1.0
707.13354	0.5
832.39111	2.6
850.39905	95.7
851.40436	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	851.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.7
67.05486	2.0
68.99781	13.1
69.03411	1.0
70.06590	1.1
77.03908	1.3
79.05483	2.8
81.03410	5.5
82.28861	1.0
83.05000	1.7
84.20792	1.0
89.03899	1.9
91.05470	7.0
93.03381	2.6
95.04957	8.3
97.02847	1.3
99.04455	1.3
103.05424	1.8
105.03360	1.8
105.06978	1.2
107.04943	100.0
109.02831	3.8
111.00774	10.5
111.04401	8.7
115.05421	2.8
117.03420	1.8
117.06980	1.5
119.04926	63.3
120.05248	1.4
121.02856	8.9
123.04416	94.7
127.03904	92.5
127.04664	0.8
128.83234	1.0
129.06967	1.2
131.04935	5.8
133.06470	5.4
135.04399	56.2
136.04654	1.1
137.02332	5.2
139.03888	57.1
141.06924	1.5
143.04861	1.1
145.02838	1.3
145.06494	9.0
147.04395	59.0
148.04710	1.6
149.02306	11.5
149.05934	2.8
151.03883	27.2
152.04300	1.1
153.01779	2.3
153.06932	1.3
155.04906	2.2
157.06454	6.3
159.04388	5.1
161.02298	1.1
161.05992	9.3
163.03888	53.1
164.04491	2.1
165.01801	3.8
165.05472	7.3
165.06851	1.5
167.03409	12.2
169.05043	1.4
169.06448	4.6
171.04407	10.1
173.02370	1.2
173.05914	7.7
175.03883	5.7
177.05400	7.8
179.03357	18.0
181.04872	1.4
181.06471	2.9
183.04408	2.6
183.08041	1.5
185.05977	7.1
187.03836	8.3
187.07481	3.5
188.04506	1.1
189.05449	11.0
190.02582	3.4
191.03374	15.8
193.04897	4.8
197.05927	8.9
199.07565	4.2
201.05460	11.3
203.03355	21.4
203.07059	3.7
205.04933	3.9
207.06403	2.5
207.08214	1.3
211.07530	1.4
213.05432	10.7
215.03438	9.1
215.07025	6.2
216.04140	3.4
217.04916	4.7
219.06393	1.9
221.06024	1.4
223.02393	4.1
225.05426	4.2
227.03445	1.9
227.06996	5.3
229.04926	16.3
229.47849	1.3
231.02924	1.8
231.06491	44.4
232.03748	1.5
233.04332	6.4
235.02257	1.5
237.05432	1.7
239.03291	1.3
239.06859	5.6
241.04886	5.7
243.02776	2.8
243.06471	18.9
244.03671	14.7
244.07280	1.2
245.04413	58.4
245.08188	2.9
247.05977	47.5
248.06279	1.4
249.05640	1.2
251.07309	1.7
253.04865	3.7
255.06442	18.8
257.04422	22.5
257.07721	2.0
258.05121	2.8
259.05963	7.3
266.05820	1.3
267.06497	18.2
269.04367	10.6
269.07050	1.4
269.08020	1.1
270.05118	1.5
271.05991	27.7
273.04053	3.3
273.07535	39.0
274.04715	25.3
274.07556	1.5
275.05402	19.1
279.06464	2.4
281.04376	4.3
281.07925	1.9
283.05884	6.8
285.03909	14.0
285.07526	19.0
286.04694	4.2
287.05466	31.3
288.05756	1.6
289.07034	20.6
291.08655	24.1
293.04498	1.4
295.05978	4.5
297.03925	3.9
297.07541	4.4
299.05505	9.6
301.06827	5.7
303.04968	6.7
303.08685	3.1
307.05972	4.7
309.03946	3.0
311.05505	3.5
313.07162	2.3
315.04935	3.0
315.08566	2.9
321.03818	1.7
321.07495	1.5
323.05420	2.1
325.07162	2.6
327.04660	1.5
337.06967	1.8
339.04849	1.5
345.07370	5.3
347.09311	2.3
349.07013	2.8
351.04977	4.5
351.08881	1.6
361.06973	2.9
363.04941	1.4
363.08658	9.4
365.10202	1.5
367.08130	6.4
373.06946	3.7
375.08612	5.0
377.06372	2.7
379.08047	2.8
381.09598	3.4
383.07437	1.7
391.08084	52.3
392.08478	1.4
393.05698	4.3
393.09857	32.1
395.11258	4.2
396.08005	1.3
403.07935	12.9
405.05530	7.8
405.10510	2.5
407.07422	8.3
409.03708	1.7
409.09152	32.7
410.09821	1.2
411.10736	13.1
415.08255	2.4
417.09930	6.2
419.06943	2.2
419.11835	1.3
421.09125	26.2
425.08594	3.4
427.10147	9.9
433.08975	6.7
435.10901	8.9
437.08566	3.7
439.10196	2.5
449.09018	1.7
451.10104	2.2
501.11533	4.3
511.09970	3.7
513.11719	1.7
519.12689	2.8
525.11755	4.1
527.09515	3.2
529.11108	2.9
541.11115	1.4
543.12537	4.1
545.10168	5.6
555.12665	1.9
557.10626	2.0
561.13794	2.5
563.15845	5.1
579.14880	2.3
663.14459	2.1
679.14087	1.8
681.15924	3.2
697.14771	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	848.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.5
61.02917	12.7
65.03924	2.2
67.05495	100.0
68.05825	0.7
69.03414	2.1
69.07063	9.5
69.66310	2.5
69.66724	1.1
71.04988	3.3
71.08622	0.7
73.02908	5.0
77.03931	0.6
79.05483	22.8
81.03407	1.7
81.07044	42.7
83.04966	0.9
83.08610	7.9
84.49931	0.6
85.02894	15.1
85.06518	2.7
91.03947	7.9
91.04460	0.7
91.05466	15.6
93.07032	27.9
95.04958	2.9
95.08595	30.6
96.04456	0.7
97.02876	7.3
97.06509	1.8
97.10153	3.5
99.04466	0.8
99.08097	1.3
105.07021	9.5
107.08577	17.1
109.06489	1.0
109.10141	85.8
110.10485	0.7
111.08063	3.9
114.25405	0.5
117.06989	4.4
119.08560	12.8
121.10126	14.2
123.11724	3.5
125.09625	1.4
127.03886	3.1
127.11215	1.0
128.33998	0.5
131.08534	6.5
133.10126	6.2
135.11673	8.4
137.09564	3.3
137.13206	1.3
145.04927	3.2
145.10091	6.0
147.11664	4.7
149.09622	0.6
149.13234	5.0
155.10612	5.3
157.10002	0.7
159.11679	4.3
161.13248	2.8
163.05957	4.6
163.14787	2.3
173.11751	21.8
173.13240	3.4
175.14781	1.4
177.16370	1.2
187.14798	2.4
189.11229	1.3
201.16350	1.1
217.19524	0.6
227.12732	6.9
229.14316	93.2
230.14581	1.3
233.22565	1.6
243.21036	7.2
245.24631	0.6
261.22107	22.5
263.23755	0.8
304.08356	0.5
317.21609	0.6
317.24634	3.6
335.25757	81.0
336.26016	1.7
373.18530	1.0
379.30060	1.3
397.30734	1.6
408.47104	0.6
415.32132	1.5
417.29865	0.6
419.02151	0.6
433.33322	0.6
471.34479	2.7
489.35687	80.0
490.36139	2.8
507.36728	6.9
633.39697	1.0
633.72473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54521	0.5
67.05490	0.9
68.73698	0.4
71.52909	1.1
81.03407	2.0
81.07090	1.0
85.02890	1.3
89.03914	1.1
91.05466	1.2
97.02914	0.6
104.91407	0.5
105.07035	0.6
107.08587	0.6
109.02846	2.6
117.03345	3.1
119.08612	0.5
127.03950	1.8
131.04976	0.6
133.10110	0.6
145.02834	8.1
146.03217	0.6
147.04434	1.7
149.06006	0.8
152.05693	0.8
156.23016	0.5
175.03951	0.6
177.05457	11.7
177.06877	0.7
178.05870	1.3
193.91304	0.5
286.32513	0.5
287.05466	0.7
303.08627	0.6
308.53067	0.6
315.08963	0.6
329.08517	3.0
329.41174	0.5
343.07837	9.9
419.07846	0.6
462.09412	1.1
537.13605	10.5
555.14410	1.1
681.36407	0.8
701.22137	0.5
843.23022	100.0
844.23523	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	7.8
67.05499	100.0
68.70683	4.9
69.03419	8.8
69.07059	31.7
71.04982	7.7
71.53823	8.4
71.54217	6.6
79.05062	8.3
79.05486	82.9
80.50921	4.7
81.03384	9.8
81.07046	93.3
83.04963	12.4
83.08597	18.4
85.02901	8.1
86.06322	5.2
86.09689	45.8
91.05473	80.0
93.07032	85.4
95.04960	15.1
95.08608	62.3
97.02869	11.7
97.06506	13.8
97.10158	8.4
97.97128	5.4
98.09693	8.2
102.60196	4.6
102.60852	5.4
105.07027	91.3
107.04942	19.2
107.08592	48.5
108.45247	5.0
109.06523	9.7
109.10130	20.5
111.08041	6.0
117.06984	37.0
119.08572	62.2
121.06500	10.4
121.10146	34.1
123.07965	5.9
123.11678	7.0
128.06184	11.2
129.06955	21.0
131.08543	42.5
133.06560	5.8
133.10103	39.7
135.07991	6.6
135.11713	25.1
143.08525	24.6
143.11769	23.8
145.10115	33.0
147.11670	28.3
149.09537	12.4
149.13219	11.0
155.08507	9.4
157.10103	15.1
159.11664	23.2
161.13254	10.8
163.11169	9.6
167.08426	6.1
169.10115	5.6
171.11559	25.0
173.13255	12.0
183.11536	9.0
184.07336	14.7
185.13283	13.2
195.11586	6.6
197.13246	12.5
211.18033	34.3
221.13341	5.9
223.14711	7.6
239.17601	7.5
241.19446	15.2
255.15933	14.7
257.18866	9.1
259.20590	37.6
269.17496	18.9
273.18506	7.5
275.20041	10.0
326.17435	24.7
333.24158	47.5
335.25784	10.8
349.23849	6.7
370.26877	7.9
376.49722	5.6
400.20822	8.4
418.22275	31.5
435.32266	6.3
480.99524	6.2
513.35376	18.8
527.37262	35.3
545.37640	8.3
607.43066	25.1
608.26239	5.7
625.44440	29.4
660.42603	9.8
678.43164	20.0
682.42871	13.5
767.52954	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	842.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93579	2.7
60.08138	3.8
65.03926	4.4
67.05499	95.7
69.03423	3.3
69.07061	28.9
70.71858	9.0
78.38700	2.9
79.05485	54.2
79.82539	2.5
80.35847	3.1
81.03408	4.5
81.07051	100.0
81.85306	3.6
82.07365	4.6
83.04986	5.3
83.08616	15.1
85.02901	3.5
85.06522	7.1
85.92244	3.2
86.09702	25.2
91.05470	43.6
93.07036	78.9
95.04971	7.5
95.08602	47.4
97.02865	3.4
97.06514	9.4
97.10167	9.1
104.10738	3.4
105.07015	34.3
107.04945	5.3
107.08575	40.2
107.77232	2.6
109.06459	6.2
109.10132	32.4
111.08059	4.1
117.07023	9.2
119.08595	22.4
121.10139	22.8
123.08003	3.1
123.11707	7.2
125.00000	13.9
125.09584	6.2
129.07028	5.0
131.08560	20.9
133.10106	21.4
135.08049	4.0
135.11664	19.2
145.10104	15.5
147.11682	12.1
149.09673	5.2
149.13242	11.5
157.10136	3.5
159.11667	15.0
161.13257	5.2
163.11183	2.9
171.11743	3.1
173.11871	5.4
173.13251	8.1
184.07326	74.1
187.14925	3.9
195.13730	3.2
227.12820	3.2
229.14359	25.2
261.22110	13.8
261.30612	3.2
269.17422	26.0
275.20047	29.0
293.20956	3.4
300.32239	2.9
321.59366	3.0
335.25784	99.5
336.25992	5.1
349.23727	22.6
367.24796	16.8
489.35797	16.7
529.38794	61.9
569.41675	9.6
609.44824	33.3
627.46387	19.0
788.01257	3.3
810.94135	3.5
843.47937	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	838.275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.1
63.02380	0.3
64.21297	0.1
67.01851	1.2
67.05488	0.3
69.03418	0.2
69.76510	0.3
69.76913	0.3
71.04984	0.5
77.48803	0.1
78.04707	0.2
79.05473	0.1
79.20657	0.1
81.03406	4.2
81.07030	0.2
81.38623	0.1
82.93210	0.1
85.02881	0.8
89.03901	3.7
91.05461	0.5
93.07037	0.1
95.05001	0.1
97.02867	1.6
98.21431	0.1
99.04435	1.1
103.03924	0.1
103.05462	0.2
105.07027	0.2
106.04166	0.2
107.04944	0.2
109.02861	14.7
110.03181	0.2
111.04363	0.2
117.03358	12.5
118.03728	0.1
119.04903	0.2
119.08587	0.2
127.03896	10.2
128.56522	0.1
129.06963	0.1
134.03601	0.8
135.04422	1.0
139.03873	0.4
145.02820	41.5
146.03142	0.7
147.04375	0.3
149.05952	4.8
155.81421	0.1
158.05966	0.3
162.03113	0.1
163.03868	0.4
169.04941	1.7
177.05437	100.0
178.05797	1.5
179.03305	0.2
186.05460	1.6
187.05948	0.2
187.07541	0.1
195.06464	0.2
204.06580	0.2
211.06006	0.1
215.07040	0.2
217.04872	0.2
229.06987	0.8
233.00575	0.1
243.06480	0.3
257.08005	0.1
259.09512	0.4
267.16006	0.1
285.07535	1.4
289.09164	0.5
303.08578	21.6
304.08838	0.6
321.09769	0.1
380.59100	0.1
448.92484	0.1
461.28909	0.2
477.28271	0.1
479.29578	0.2
515.15399	7.3
516.15668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.2
62.80626	0.1
63.02383	0.5
63.90990	0.2
67.01863	1.4
67.05490	0.3
69.03423	0.3
69.87698	0.5
69.88100	0.3
71.04979	0.7
72.96951	0.2
78.04708	0.4
79.05482	0.3
81.03410	5.3
81.07041	0.5
83.05009	0.2
83.08599	0.2
85.02899	1.2
89.03903	4.3
91.05457	0.8
93.07027	0.5
95.04945	0.3
95.08596	0.3
97.02873	1.9
97.10207	0.2
98.20809	0.2
99.04447	1.2
103.05468	0.2
105.07024	0.3
106.04157	0.3
107.04922	0.2
107.08587	0.4
109.02868	20.6
110.03165	0.3
115.12174	0.2
117.03365	13.6
118.03706	0.2
119.04925	0.4
121.10109	0.2
125.09631	0.2
127.03901	12.7
133.10114	0.3
134.03654	1.0
135.04407	1.2
139.03912	0.9
145.02829	40.9
146.03154	0.8
147.04375	0.6
149.05957	4.8
149.07138	0.3
158.06047	0.3
163.03925	0.4
169.04941	3.3
175.03801	0.1
177.05447	100.0
178.05812	2.0
185.05817	0.2
186.05486	2.1
187.05984	0.4
191.07115	0.2
193.12251	0.2
195.06531	0.2
215.07024	0.3
229.07021	1.5
243.06459	0.5
259.09628	0.4
267.15897	0.2
269.17413	0.4
271.08218	0.2
285.07581	1.5
289.09164	0.6
303.08597	23.3
304.08844	0.6
376.45016	0.2
378.08954	0.2
402.12012	0.2
461.28784	0.6
478.28375	0.2
515.15436	5.5
515.23138	0.3
516.15979	0.2
629.05164	0.2
821.00189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.7
67.05483	0.7
68.99782	6.0
70.92351	1.0
70.92700	0.7
77.03920	0.7
79.05473	1.3
81.03399	1.3
91.05473	7.2
95.01287	0.4
95.04959	6.7
103.05454	0.5
103.80371	0.4
105.04496	0.6
105.07020	1.3
107.04942	100.0
108.05302	1.1
109.02854	0.7
111.00783	3.3
111.04430	2.2
115.05430	1.4
117.06986	0.7
119.04928	57.5
120.05219	0.7
121.02847	6.2
123.04414	25.3
127.03933	3.5
129.07011	0.5
131.04929	2.4
133.06465	6.4
135.04404	2.8
137.02281	0.9
137.05928	0.5
139.03886	22.1
141.06964	1.1
143.04861	0.8
145.06476	8.8
147.04390	44.6
148.04984	0.6
149.02309	7.5
149.06021	0.9
151.03876	12.9
153.01868	0.7
153.07028	0.8
157.06474	4.5
159.04405	0.6
159.08006	0.6
161.05949	5.2
163.03868	6.1
165.01839	1.8
165.05545	3.9
165.06831	1.0
167.03391	10.7
169.06447	1.5
171.04387	8.1
171.05688	0.8
171.08087	1.4
173.02379	0.8
173.06017	1.2
175.03873	2.6
176.04633	0.7
177.05510	2.5
179.03363	8.5
181.05043	0.9
181.06511	2.2
183.08160	0.5
185.05972	4.6
187.03885	2.9
187.07515	3.1
189.05461	7.3
190.02585	1.5
191.03374	6.8
193.04964	2.2
197.05986	3.1
199.03941	0.7
199.07614	2.8
199.09239	0.5
201.05443	2.5
203.03366	7.9
203.07025	1.5
205.04965	1.0
207.06500	2.1
207.08205	0.6
211.03909	0.6
211.07578	1.0
213.05414	5.6
215.03345	4.5
215.07059	2.2
216.04260	1.3
217.04932	1.7
219.02887	0.5
223.02373	1.1
225.05449	1.6
227.03485	0.7
227.07001	4.6
229.04942	3.7
231.06496	37.9
232.03619	0.8
232.06732	0.9
233.04434	3.5
235.02307	0.7
239.07024	2.9
241.05049	1.7
242.05740	1.4
243.02835	1.5
243.06491	10.2
244.03664	4.4
244.07281	1.5
245.04433	16.3
245.08104	3.2
249.05556	0.7
251.07346	0.8
253.04890	1.1
254.05754	0.5
255.06488	14.3
257.04407	12.7
257.08066	1.5
258.05191	0.9
259.05984	1.0
267.06461	9.7
269.04474	4.5
269.08020	0.8
271.05896	3.3
273.04321	1.8
273.07526	28.4
274.04703	9.5
274.07626	0.7
275.05408	6.7
277.08569	0.6
279.06589	2.2
281.04507	1.8
281.08151	0.7
283.06064	2.3
285.03958	6.0
285.07574	11.0
286.04611	1.5
287.05466	15.3
291.08636	13.6
295.06067	1.7
297.03931	1.9
297.07587	2.1
299.05380	5.3
302.36047	0.5
303.04962	2.7
303.08676	2.2
307.06009	2.8
308.06369	0.5
309.03967	1.6
311.05539	1.2
313.06775	0.9
315.05060	1.2
315.08670	1.3
321.07571	0.7
323.05606	1.0
323.09100	1.0
325.07007	0.7
327.05090	0.7
335.09058	0.7
337.07108	0.8
345.07611	2.1
347.09293	0.8
349.06973	1.5
349.10806	0.8
351.04825	2.3
357.07684	0.6
359.09201	0.9
361.07422	0.7
363.08716	3.7
367.08063	4.0
373.06973	1.2
375.08578	2.2
377.10211	6.2
379.07932	2.0
380.08832	1.4
381.09875	0.7
385.07047	0.8
391.08038	20.2
391.12958	1.0
392.08249	0.7
393.05707	1.8
393.09897	12.2
395.11212	4.0
401.10294	2.9
403.08151	6.2
405.05344	3.6
405.10001	1.8
409.09109	12.0
411.10724	7.2
415.08142	0.9
417.05930	1.0
419.11304	3.0
421.09103	12.5
423.11005	1.0
427.10236	3.6
433.09167	2.6
437.12109	1.3
451.10117	0.7
485.12253	2.1
497.11752	0.8
503.13062	0.6
509.12558	1.6
511.09824	3.4
527.12927	1.7
529.11176	2.0
539.13098	0.6
541.11389	0.6
545.11279	1.9
555.12915	0.6
563.15546	4.0
663.14709	1.3
681.15778	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	829.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48133	0.7
61.02920	4.5
67.05496	5.4
69.03400	3.7
69.07045	1.9
71.04980	0.7
73.02910	3.4
79.05474	4.5
81.03407	1.3
81.07050	5.3
85.02894	5.2
91.03941	3.5
91.05479	3.3
93.07044	3.4
94.00042	0.7
95.04982	1.1
95.08606	3.4
97.02872	4.9
97.06560	0.8
97.27592	0.8
99.04470	1.2
101.02365	2.0
105.07034	2.5
107.08592	1.5
109.10145	1.1
112.51808	0.9
119.08604	1.8
121.10143	1.1
127.03948	2.1
131.08530	1.4
133.10143	2.0
135.11693	1.1
138.67073	0.8
149.13269	0.9
153.27086	0.8
159.11726	1.1
173.13313	1.3
185.04135	0.9
243.08488	2.8
333.20316	1.8
358.16019	0.8
443.88983	0.7
519.29205	8.2
526.51282	1.0
551.28467	4.8
720.68457	0.8
829.50604	100.0
830.50946	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	831.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82774	0.1
65.03918	0.6
67.01846	0.2
67.05476	0.2
68.99759	0.2
70.06552	0.2
70.81637	0.4
77.03896	0.1
79.05469	0.1
81.03384	0.2
83.04934	0.1
85.02860	0.2
89.03862	0.1
91.05469	2.5
93.03355	0.4
95.04933	0.2
97.02878	5.7
110.07122	0.2
112.07639	0.2
119.04922	3.3
121.02799	0.2
123.04375	0.2
125.02277	0.2
127.03811	0.1
131.04880	0.1
131.08469	0.1
132.02020	0.1
135.04298	0.1
137.02313	0.3
139.03918	0.1
140.04643	0.3
141.06932	0.2
144.05627	0.2
145.02780	0.2
145.05182	0.1
147.04385	2.8
149.02322	0.7
149.05954	0.1
151.03841	0.2
153.01805	1.7
154.02560	0.3
154.06172	0.1
155.07013	0.5
157.03914	0.3
159.07956	0.2
163.03909	0.2
164.04675	0.2
167.01984	0.2
167.03381	3.1
169.06366	0.3
171.02867	0.9
172.05067	0.1
174.52327	0.1
175.03880	5.4
176.04259	0.1
177.05389	0.3
178.02539	0.3
179.06987	0.6
181.04930	1.0
187.07457	0.5
187.09018	0.1
197.05881	0.3
203.03429	0.1
205.04912	0.5
207.06494	12.1
208.06795	0.2
213.05339	0.1
215.07072	0.2
219.06540	0.4
219.10062	0.3
220.47150	0.1
227.07130	0.1
229.04907	0.2
229.08530	0.5
233.76035	0.1
242.05647	1.4
243.06393	0.3
247.09564	0.5
253.04788	0.1
255.06525	0.2
257.07941	0.5
258.05170	1.1
269.04388	0.3
270.05194	7.4
271.05603	0.4
273.03925	1.0
275.09116	1.9
285.03976	0.2
285.07559	0.3
286.04645	0.9
287.02222	0.2
287.05432	3.5
288.06024	0.2
289.07050	0.2
298.04419	0.2
299.05481	0.5
301.03375	1.8
302.04156	2.3
303.05283	0.2
303.08597	0.5
313.03445	0.6
315.04926	30.4
316.05615	4.5
317.06125	0.2
321.09647	1.7
331.08057	100.0
332.08389	4.1
339.10721	0.3
373.09055	0.3
383.07605	0.2
394.72836	0.1
493.13342	3.0
510.54562	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	826.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.8
61.02646	0.8
61.02922	8.8
65.03937	0.8
67.05499	47.6
69.03409	1.1
69.07066	4.5
70.48195	1.5
71.04970	2.6
71.08241	0.8
71.08623	12.8
73.02885	1.7
79.05486	1.2
81.03398	0.9
81.07041	11.7
83.08616	8.9
85.02899	10.2
85.06527	1.0
85.10179	7.2
91.03958	7.6
91.05467	1.9
93.07040	2.1
95.08598	13.2
97.02891	5.0
97.10131	2.3
99.04427	0.7
107.08585	0.7
109.10146	54.1
110.10424	0.6
111.00607	0.6
111.08059	1.9
117.09129	0.8
119.08569	3.3
120.86559	0.7
121.10077	0.6
123.11680	1.4
127.03937	3.3
137.09602	1.7
145.04953	3.4
155.10628	3.3
163.05981	3.7
173.11713	17.3
183.26054	0.6
184.07294	0.7
210.97899	0.7
229.14323	100.0
230.14796	0.9
239.23666	2.3
257.24585	1.5
313.27335	74.4
314.27740	1.8
467.37296	63.3
468.37704	2.6
704.05432	0.8
784.97516	0.7
792.03052	0.9
846.77234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69503	2.1
61.02899	2.9
65.03928	3.6
67.05500	92.6
67.41306	2.2
69.03415	8.3
69.06738	2.2
69.07065	32.1
69.17679	5.5
69.18085	20.8
71.04967	4.6
73.02899	2.9
79.05013	2.8
79.05485	65.7
81.03413	10.2
81.07047	90.5
83.04961	7.0
83.08606	17.3
85.02894	4.7
85.06501	2.9
91.05467	56.7
93.07035	71.6
95.04956	12.7
95.07998	2.8
95.08598	56.2
97.02875	4.1
97.06519	10.9
97.10174	11.2
99.08074	4.4
102.57712	2.1
105.07019	46.8
107.04942	3.8
107.08591	45.6
109.02894	2.3
109.06503	7.7
109.10146	35.5
111.04462	2.3
111.08038	5.9
117.07021	18.2
119.08555	31.5
121.06513	3.0
121.10123	29.0
123.08086	2.5
123.11686	10.1
125.09624	7.7
127.03873	6.2
129.06953	5.5
131.08559	27.4
133.10118	24.6
135.08006	5.3
135.11655	18.1
137.09668	4.4
139.11147	2.3
143.08553	6.8
145.06395	2.5
145.10098	24.1
147.07938	3.3
147.11656	17.4
149.09581	5.6
149.13240	8.6
155.08595	2.7
157.10097	6.6
159.11684	24.7
161.13246	9.2
163.11095	4.7
163.14809	3.0
169.10081	5.0
171.11670	5.0
173.11781	5.1
173.13248	8.2
175.11221	2.1
175.14830	2.0
176.52750	2.0
181.10097	2.7
183.11708	4.0
185.13223	6.5
187.14775	4.2
189.11189	5.8
197.13258	3.6
199.14815	2.7
201.16388	3.9
201.89188	1.9
203.14107	2.3
219.17416	4.1
227.12805	10.7
229.14334	8.0
229.19502	2.4
239.17972	4.4
243.21089	4.9
255.15880	3.1
257.19040	12.5
257.21417	2.4
259.20410	3.4
261.22076	9.0
267.15820	4.0
269.17502	5.9
275.20050	37.2
277.21811	2.1
293.20953	2.9
309.20624	3.5
309.73810	3.1
331.22601	4.7
333.24240	3.2
335.25790	100.0
336.26068	8.4
349.23624	29.9
350.23996	2.4
489.35721	16.8
505.35126	5.2
515.37073	2.6
529.38611	7.7
537.42249	2.3
569.41394	6.5
609.45056	45.9
610.45001	6.4
627.46478	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08143	2.3
61.02909	3.6
62.27636	1.1
65.03930	4.2
67.05495	82.5
68.05823	1.7
69.03420	6.3
69.07054	27.8
69.96549	3.4
69.96951	2.7
71.04977	4.9
71.08649	1.8
77.03882	1.2
79.05481	67.0
80.05800	1.2
81.03404	9.4
81.07043	90.8
83.04976	11.0
83.08612	9.6
85.02890	4.3
85.06524	2.9
86.09695	9.4
90.92783	1.0
91.03938	1.4
91.04897	2.5
91.05467	48.8
93.07030	72.0
95.04961	10.7
95.08593	52.8
97.02866	5.7
97.06526	9.1
97.10168	5.9
99.04504	1.3
99.08092	3.4
103.05452	1.5
105.04490	1.9
105.07017	38.0
107.04927	5.5
107.08574	36.1
109.02831	2.4
109.06481	5.9
109.10147	21.3
111.08076	4.8
115.05392	1.4
117.07010	20.1
119.08558	31.4
119.09365	2.0
121.06488	4.1
121.10125	25.9
123.08067	3.5
123.11743	6.5
123.94101	1.1
125.00014	6.9
125.09638	2.8
127.03907	2.7
128.06165	1.3
129.05455	1.5
129.06984	5.6
130.07690	1.1
131.08542	23.9
131.68654	1.2
133.06435	1.4
133.10106	21.6
135.08040	4.3
135.11667	17.6
137.09573	2.9
137.13246	2.4
139.11130	1.7
141.06960	1.8
143.08524	5.9
145.10095	17.1
147.08107	1.3
147.11670	14.4
149.09589	7.7
149.13219	12.1
151.11182	1.8
155.08591	2.4
157.10104	5.9
159.11664	17.4
161.09608	1.4
161.13235	6.8
163.11165	4.8
163.14787	2.7
165.12711	2.4
169.10143	3.0
171.11678	4.0
173.04543	1.9
173.11888	1.6
173.13229	7.5
175.11041	1.4
175.14757	2.5
177.12752	4.0
177.16324	1.6
179.14299	2.4
181.12291	1.3
183.11681	3.2
184.07314	24.1
185.13272	4.8
187.14819	3.7
189.16391	2.4
191.14267	1.6
195.13809	4.3
197.13257	2.4
199.14803	3.0
201.16342	2.3
203.14426	1.3
213.16472	1.5
216.22346	1.3
217.80446	1.1
219.17455	1.9
229.14372	2.8
235.16910	2.3
239.17926	2.9
243.20999	2.3
247.20546	1.6
255.15874	7.7
257.18930	9.6
259.20602	3.1
261.22098	10.5
267.15796	2.4
269.17426	25.7
275.20029	25.5
277.21704	1.4
283.18976	1.4
291.19489	2.0
293.21222	2.1
309.20435	5.9
317.24905	3.0
331.22476	2.4
333.24213	1.6
335.25751	100.0
336.26077	7.3
344.97903	1.1
349.23642	22.6
350.24265	2.2
351.25174	1.5
367.24673	5.2
413.21579	2.0
450.42441	1.3
458.82794	1.2
489.35788	2.7
515.37195	12.8
516.37823	1.4
529.38800	56.2
530.39136	4.9
543.40173	2.4
555.40479	1.3
569.41797	18.1
570.42645	1.5
609.45099	20.6
610.45068	2.4
627.45996	6.6
750.16510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	11.9
67.05500	89.1
69.03414	6.6
69.07056	25.7
70.43758	18.9
75.40041	4.7
79.05487	58.2
81.03391	6.8
81.07051	100.0
83.04949	29.2
83.08618	10.7
86.09698	14.4
89.39138	5.2
89.46429	4.2
91.05469	56.3
93.07034	59.6
95.04962	19.1
95.08595	56.4
97.06497	9.6
97.10165	8.8
105.07024	47.6
107.08585	38.6
109.10149	39.3
112.01958	4.8
117.07002	10.8
119.08566	32.3
121.06499	9.9
121.10126	21.2
123.08054	8.1
123.11671	8.5
125.00034	8.9
129.07025	6.5
130.88837	5.1
131.08560	14.4
133.10123	50.6
135.08044	10.3
135.11696	13.5
143.08553	5.5
145.10103	11.4
147.07974	7.0
147.11624	13.4
149.09567	5.0
151.11148	20.9
157.10042	8.0
159.11681	7.2
160.00317	5.9
161.09618	11.3
175.11092	5.6
184.07362	41.8
185.13300	6.5
215.12785	6.0
245.19003	9.3
253.14337	66.3
261.22025	13.8
273.18484	35.3
275.19983	6.1
280.87405	4.5
291.19510	29.5
304.26453	6.0
335.25793	56.5
347.22116	10.9
365.23166	56.9
389.85248	5.1
421.29581	7.3
457.33118	5.7
513.34760	6.4
519.26990	5.7
531.36682	7.7
607.43152	9.0
625.44623	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	18.9
57.07073	1.0
59.04993	0.5
61.02915	72.1
65.03929	1.6
67.05494	29.8
69.03419	23.8
69.07053	6.5
70.06585	0.8
71.01352	3.7
71.04974	5.7
71.14010	1.5
73.02903	25.8
73.03313	1.3
73.53294	0.5
75.04464	2.6
79.05479	20.4
81.03405	20.4
81.07040	28.5
81.25666	0.6
83.01337	1.5
83.04952	4.0
83.08609	3.3
85.02890	100.0
85.06526	1.7
86.03201	0.8
87.04450	3.6
88.07629	1.4
91.03939	56.4
91.05463	15.1
93.07026	20.7
95.04948	5.1
95.07973	1.3
95.08585	22.1
97.02874	69.6
97.06512	2.8
97.10144	1.5
98.03168	0.6
99.04436	11.8
99.08057	1.2
101.02364	6.2
102.09148	1.0
103.03916	9.5
103.04568	0.8
105.07011	10.0
107.04929	1.6
107.08570	12.5
109.02857	12.1
109.06487	1.9
109.10139	9.9
109.10825	0.7
111.04407	3.2
111.08064	1.2
115.03902	6.6
117.05477	2.6
117.06995	5.4
119.04888	0.6
119.08562	8.7
121.06548	0.6
121.10126	11.9
121.10942	1.0
123.04451	0.9
123.08085	1.0
123.11677	3.8
125.09600	1.1
127.03894	36.8
128.44077	0.6
129.05473	5.2
129.06992	1.7
131.08562	7.9
133.06509	0.9
133.10107	7.9
135.08005	1.4
135.11642	7.6
137.05940	1.2
137.09599	1.4
137.13232	1.2
139.03914	1.1
141.06920	0.6
143.06989	0.6
143.08548	1.4
145.04935	28.7
145.10091	6.8
147.08014	0.9
147.11656	6.0
149.02298	3.5
149.13239	5.4
151.11195	0.8
151.14853	0.6
153.12712	0.6
155.07022	1.0
157.10143	1.9
159.06514	2.7
159.07921	0.9
159.11667	5.2
161.09592	0.8
161.13260	3.5
163.05988	18.6
163.11185	0.8
163.14827	2.6
167.08525	0.7
169.10103	0.8
171.06462	1.9
171.07863	0.6
171.11676	1.9
173.13210	4.5
175.11197	1.0
175.14815	1.7
177.12669	0.7
177.16412	0.9
179.14360	0.6
181.10013	0.6
183.06509	9.7
183.11696	1.4
185.13223	1.5
187.11131	1.0
187.14818	2.5
191.14304	0.6
193.04971	2.3
195.11732	0.6
197.13278	0.9
199.14861	1.7
201.07553	5.5
201.16379	1.2
203.14398	0.8
215.18201	0.6
218.75575	0.6
219.08603	0.7
219.17418	0.6
228.23190	2.9
233.22578	0.7
237.07686	0.7
241.19406	1.2
243.21037	4.6
259.20493	2.8
261.22101	14.4
271.08090	0.8
271.20456	0.9
273.22107	1.2
275.23843	0.8
277.21634	1.2
279.23264	1.6
285.22110	1.3
297.22360	0.6
301.21518	0.9
303.23199	3.1
313.21854	0.8
315.23276	1.4
317.24863	1.0
323.23666	0.8
327.23270	2.4
335.25742	47.5
336.26154	2.1
341.24936	1.0
345.24225	1.3
351.23157	2.0
353.26770	1.2
363.25342	4.0
365.26831	0.8
369.24155	3.6
377.26981	2.7
387.25375	1.7
389.26651	1.0
405.26288	2.2
419.27893	1.5
423.27533	0.7
431.27560	1.3
443.27722	4.2
461.28818	4.1
479.29962	8.6
489.49405	0.6
497.31015	2.5
822.36932	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	818.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.04997	0.6
59.10212	0.5
61.02919	4.7
65.03948	1.2
67.05499	17.4
68.75258	0.4
69.03419	3.6
69.07067	6.5
71.04969	0.8
71.52248	0.8
73.02914	1.2
73.11209	0.5
74.18942	0.5
77.45413	0.5
79.05486	16.0
81.03400	2.0
81.07049	16.0
83.04964	2.5
83.08147	0.9
83.08614	12.5
85.02904	5.5
85.06532	1.0
91.03951	3.5
91.05474	15.8
93.03381	0.7
93.07040	8.7
95.04966	2.8
95.08604	4.5
97.02873	2.9
97.06525	1.5
97.10160	22.3
98.99437	0.5
99.04448	0.7
101.09653	0.8
103.05462	8.2
105.03349	0.6
105.07029	14.0
107.04958	3.2
107.08583	11.2
109.06512	2.1
109.10134	4.0
111.08052	1.7
112.07628	0.5
115.05453	4.6
116.06258	0.6
117.07014	26.3
119.04938	1.1
119.08565	7.0
121.06499	2.3
121.10150	2.4
123.08041	1.7
125.09621	18.0
127.03896	1.3
128.06232	2.9
129.06992	12.4
131.04886	1.3
131.08557	17.9
133.06480	5.4
133.10098	2.9
135.08052	5.4
135.11635	0.8
137.09538	0.8
141.06998	4.4
142.07765	1.0
143.04910	0.6
143.08549	6.4
143.10631	1.0
145.04909	0.8
145.06474	5.5
145.10120	5.8
147.04369	1.6
147.08037	2.3
147.11603	0.8
148.04688	0.6
149.09605	3.0
151.07608	0.7
153.06949	1.1
153.09068	2.1
155.08540	7.6
156.09375	0.7
157.06502	3.1
157.10085	3.5
159.08055	2.3
159.11687	3.2
161.09648	0.7
163.11156	0.7
165.07007	1.0
167.08554	2.3
168.09238	1.1
169.10098	5.3
171.08054	2.2
171.10199	0.8
171.11696	4.1
173.09631	1.3
173.13226	1.2
175.11102	1.1
177.05492	1.0
179.08530	1.4
181.10153	1.6
183.08034	1.2
183.11679	1.7
185.09677	1.1
185.13197	1.5
187.11139	0.7
187.14807	5.3
189.11197	9.4
189.12743	1.0
195.11693	2.4
197.13252	8.0
199.11195	1.5
207.11742	1.1
209.13248	1.2
211.11223	0.7
211.14867	1.0
213.12720	3.0
215.14304	26.6
219.11728	0.5
221.13156	1.0
223.11159	1.1
223.14885	0.5
225.12683	0.7
227.12723	16.0
227.14856	0.8
231.13782	0.8
233.15384	2.1
235.14728	0.8
237.12778	1.7
239.14346	0.8
241.12247	1.4
241.15863	1.2
243.13727	0.7
245.13722	1.0
253.15947	0.8
255.13770	0.9
257.15280	1.0
267.15863	0.7
269.15338	1.2
271.17026	1.5
273.14764	0.6
283.16782	0.8
287.16327	0.8
305.03070	0.5
321.22107	0.9
339.23221	2.7
349.21481	5.0
367.22604	9.5
385.23801	5.6
403.24808	2.4
441.26355	43.0
442.26624	1.7
459.27374	100.0
460.27774	4.0
477.28433	11.3
603.31836	0.9
621.32269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.6
60.08150	3.2
65.03940	1.5
67.05502	22.5
69.07043	4.7
71.07339	2.1
74.87004	1.2
75.18549	1.3
79.05488	16.8
80.18920	1.2
81.07046	24.7
83.04953	1.7
83.08619	6.6
86.09690	13.9
89.05948	1.3
91.05463	19.3
93.07031	20.1
95.04922	3.0
95.08598	15.3
97.06546	2.1
97.10145	8.6
105.07006	7.1
107.08578	8.3
109.06493	3.7
109.10167	7.1
117.06280	1.8
117.07002	11.2
119.08569	100.0
120.08858	2.3
121.10140	7.1
123.08058	1.7
123.11693	2.2
125.00020	8.9
125.09619	5.7
129.07016	3.7
131.08537	4.4
133.06470	3.7
133.10106	6.5
135.08055	6.5
135.11671	3.1
137.09602	1.6
143.08572	2.1
144.05640	2.1
145.10138	7.9
147.08032	21.0
147.11685	2.4
157.10127	7.8
159.06696	2.0
159.08026	38.7
159.11609	3.3
161.09607	1.9
161.13300	2.2
169.10115	4.9
171.11732	2.2
173.09605	10.6
175.07462	1.9
183.11688	3.0
184.07327	45.0
185.09677	1.5
189.11194	3.9
211.14706	2.2
227.12714	9.2
235.14871	1.8
245.68134	1.3
253.16104	3.1
271.16934	16.2
289.17935	26.1
335.25760	37.6
345.20636	3.4
363.21710	20.0
406.87863	1.5
605.41382	1.6
623.42987	48.1
623.53290	2.8
624.43134	2.9
689.57050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	19.9
58.53564	2.4
61.02907	3.9
65.03928	4.6
67.05500	69.6
69.07062	15.1
69.78484	11.7
71.04988	3.3
75.93236	2.4
79.05486	57.0
79.98296	2.7
81.06594	4.4
81.07051	72.1
83.04971	4.5
83.08604	9.6
85.02886	3.5
85.06528	5.7
88.10059	2.5
91.05474	45.7
93.07037	56.1
95.04966	9.7
95.08598	52.0
97.02906	3.0
97.06512	4.4
97.10181	3.2
105.07024	37.2
107.08585	36.0
107.58155	2.3
109.10151	17.1
117.07017	11.4
119.08569	23.9
121.10118	25.6
123.11686	6.5
129.06970	3.9
131.08574	18.0
133.10152	16.7
135.11681	18.3
143.08514	5.6
145.10083	16.3
147.11667	18.4
149.13199	6.7
159.11655	8.0
161.13220	9.4
169.10165	2.8
171.11609	5.3
173.13232	9.1
175.14812	4.3
184.07248	2.8
185.13217	3.5
187.14771	7.3
199.14784	4.7
205.15889	4.1
225.15024	2.4
241.19452	6.0
246.72389	2.5
254.34921	2.5
259.20450	17.6
261.22098	8.0
277.21570	15.5
296.72488	3.2
306.27783	3.5
317.24789	2.4
333.24139	13.6
335.25748	100.0
351.25275	27.1
437.24329	2.4
546.58600	2.5
581.25769	3.4
611.46552	35.5
612.46326	4.0
716.26361	2.9
797.30518	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.2
59.04991	0.7
60.03434	0.7
61.02914	4.9
64.26195	0.6
67.05505	4.6
69.03416	3.6
69.07052	2.2
71.04983	2.0
71.52208	0.8
73.02922	3.0
79.05485	5.0
81.03409	5.4
81.07042	6.6
83.04990	1.0
83.08614	1.9
85.02907	5.1
91.03956	2.4
91.05459	6.2
93.07021	4.5
95.04972	2.6
95.08614	2.2
97.02875	4.8
97.06549	1.0
97.10174	1.0
99.04482	0.9
101.02389	1.9
105.07022	4.5
105.89585	0.7
107.04976	1.3
107.08579	3.0
109.02847	0.9
109.10163	1.3
117.07030	1.0
119.08587	2.4
121.10162	2.7
127.03923	1.5
131.08560	2.2
133.10117	2.7
135.11685	0.8
145.10107	0.9
147.04436	0.8
147.11708	2.2
149.09633	2.3
157.10146	1.2
163.11237	0.7
193.12274	2.2
197.06956	0.6
199.13235	0.7
203.05290	0.7
209.04640	0.7
211.94373	0.7
243.08334	3.6
266.48508	0.6
267.15915	0.8
283.15158	3.1
333.20468	2.2
339.17752	1.2
355.07974	0.6
439.19113	0.9
453.21082	1.5
501.23026	13.9
551.28064	5.9
596.35083	0.8
631.39050	0.7
696.80463	0.6
713.37067	1.5
721.37494	1.5
811.44354	100.0
812.44769	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	808.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.9
57.07057	6.9
61.02921	3.9
67.05495	100.0
69.07079	26.5
69.29163	43.6
71.04995	4.0
71.42754	4.1
79.05487	100.0
81.07045	98.2
83.08613	12.1
85.02884	6.2
91.05471	81.3
93.07031	91.9
95.04961	11.3
95.08601	76.2
97.02878	5.4
97.06486	6.7
97.10145	6.2
105.07015	86.3
107.08583	52.8
109.10146	26.1
117.06972	28.4
119.08570	67.3
121.10128	39.9
123.11687	7.2
126.33218	4.7
129.07002	9.9
131.08556	30.1
133.10117	50.3
135.11685	25.6
141.06906	5.5
143.08530	16.9
145.10114	35.3
147.11674	38.2
149.09476	4.3
149.13231	9.7
157.10110	13.8
159.11638	22.4
161.13222	20.9
171.11691	12.9
173.13301	17.0
175.14807	9.1
181.74454	4.9
183.11667	6.9
184.07350	5.3
185.13277	11.5
187.14850	5.3
199.14862	8.9
201.16502	4.2
215.44595	4.8
223.78050	5.4
231.21083	6.1
241.19530	16.4
259.20529	63.4
261.22183	7.1
333.24203	44.5
335.25790	72.1
593.45490	7.4
611.46582	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	8.7
57.78592	3.4
65.03889	3.2
66.23064	3.2
66.37181	2.8
67.05495	42.1
69.07050	13.0
73.76481	2.8
73.85965	3.5
79.05479	27.8
81.07042	29.4
83.08607	3.7
86.09679	3.1
90.94707	3.1
91.05470	27.3
93.07031	32.6
95.04945	6.9
95.08588	28.8
97.06463	3.5
105.07021	25.5
107.04933	3.5
107.08581	19.2
109.06519	3.2
109.10118	8.9
117.06984	10.4
119.08560	22.4
121.10140	17.7
125.18449	3.0
128.56570	3.3
131.08546	18.7
133.10149	14.9
135.11684	7.5
137.09624	4.3
145.10075	10.6
147.11684	6.3
149.09613	3.4
151.57951	3.6
155.89861	3.6
159.11638	6.1
168.79738	3.6
174.37514	3.2
184.07297	5.4
185.13248	3.2
219.17409	99.8
229.67088	3.4
249.81805	3.2
275.20074	18.0
280.01431	3.1
304.26334	4.7
306.27722	5.0
335.25763	74.6
349.23688	18.8
397.51892	3.4
609.45038	100.0
742.44916	3.2
797.72729	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	807.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
61.02909	1.1
67.05495	2.4
69.03417	3.4
69.70718	4.2
69.71127	1.9
70.06583	1.7
71.04994	0.9
72.08130	1.3
79.05492	2.4
79.78947	0.7
80.05006	1.0
81.03403	3.0
81.07005	0.8
82.06566	1.1
85.02887	4.9
86.09689	1.1
91.05470	2.0
93.05790	1.8
93.07048	4.0
94.06550	5.5
95.04948	1.3
95.07351	2.3
96.08131	7.0
97.02879	3.2
106.06564	2.2
107.07314	1.0
108.04478	1.2
108.08107	14.2
109.02857	1.8
110.05989	1.0
110.09679	11.7
120.04461	2.7
120.08088	8.6
121.08932	1.2
122.06017	9.4
122.09653	4.1
124.07545	6.5
132.08112	1.7
133.06039	1.6
134.06015	3.1
136.07558	22.1
138.05527	1.2
138.09128	15.8
138.10100	1.4
144.04433	1.7
145.02760	0.9
146.05980	6.8
146.09601	0.9
147.04413	1.5
148.07559	16.3
150.09114	10.7
152.07045	19.6
160.03949	1.8
160.07590	1.9
162.05472	2.5
164.06992	5.2
166.08623	41.6
172.03915	19.6
174.05481	1.6
174.09081	1.6
176.07033	3.2
177.05522	1.9
180.10097	1.2
182.08130	1.1
190.04979	13.1
192.06673	1.0
194.08110	1.5
197.10710	1.8
198.11552	2.2
199.12303	1.2
204.06529	29.0
210.09129	0.8
210.11438	4.2
211.12256	6.6
212.13100	3.1
213.10228	1.2
213.13864	1.2
218.08101	1.6
221.10558	0.9
223.08656	1.4
223.12268	4.8
224.09418	1.0
225.10208	7.5
225.13744	2.0
226.10902	4.6
227.11697	4.8
229.09753	1.9
235.08662	1.1
235.12215	2.1
236.09485	1.6
236.13040	1.0
237.10211	8.2
237.13821	1.3
238.10930	7.4
239.11746	10.8
241.13432	1.5
243.11334	1.3
246.07710	1.0
248.09467	1.5
249.10286	6.4
250.10834	5.4
251.08124	2.1
251.11761	15.0
252.08980	2.0
252.12541	3.2
253.09669	3.4
253.13321	5.8
254.10468	1.6
255.11270	3.5
256.12122	2.3
257.12915	2.4
259.14465	1.2
261.10489	1.1
262.11011	1.9
263.11780	13.6
264.08795	4.8
264.12573	3.0
265.09949	6.0
265.13260	7.6
266.10474	4.2
266.13510	0.8
267.11282	18.1
267.15723	1.8
268.11942	2.6
269.12845	4.6
271.10782	2.1
271.14426	5.4
273.12357	3.6
277.09747	1.8
277.13559	1.1
278.10437	4.1
279.11258	27.0
280.11945	4.7
281.12784	8.9
282.10168	0.9
282.13525	1.4
283.10812	5.3
283.13675	0.9
284.11523	9.1
285.12314	33.9
287.13977	1.6
289.15533	2.4
291.11185	11.4
292.12009	3.7
293.09305	2.5
293.12836	11.5
295.10773	3.8
295.14340	1.4
296.11517	6.0
297.12292	43.5
298.13000	3.4
299.13904	5.4
307.10822	3.3
309.12296	16.7
310.13055	4.6
311.10242	5.3
311.13843	4.4
313.11688	2.3
316.14365	1.2
319.10770	8.1
321.12308	11.5
323.10294	12.5
323.13837	1.3
324.10791	0.9
325.11804	16.0
326.12418	1.5
327.13284	12.9
328.14178	1.6
330.16034	1.0
337.11758	43.2
337.15863	2.1
338.12439	3.3
339.13373	6.7
341.11230	1.7
341.14902	1.8
342.16052	1.0
343.13022	3.7
344.17612	1.1
346.18884	1.1
351.13327	1.1
355.12823	2.9
355.27411	1.1
357.14349	9.2
359.16055	1.6
367.12704	1.0
369.14426	3.7
371.15985	2.5
372.16959	1.3
373.13864	2.5
384.16876	1.6
385.13916	2.8
388.16040	1.2
390.18298	1.8
392.19730	1.1
396.17035	1.2
399.15274	1.4
400.16330	1.9
402.18152	2.6
404.19785	4.1
412.16266	2.4
414.18146	1.5
416.19781	2.0
418.17319	2.7
420.18869	1.9
421.19846	1.1
422.20560	2.7
430.17493	7.1
431.18176	1.3
432.19193	6.3
442.17331	1.1
443.18082	1.0
444.19092	2.4
446.20996	3.9
448.18573	25.1
449.19385	11.4
450.20172	11.0
460.18591	14.9
461.19006	2.0
462.20294	3.9
472.18353	2.9
474.20209	3.7
476.18060	5.2
477.18835	7.9
478.19778	5.3
480.21210	3.5
487.16989	6.2
490.19672	31.5
491.20221	2.5
492.21222	8.8
522.22388	15.0
523.23065	2.3
594.24225	3.1
595.25397	10.7
608.25873	1.2
611.24524	4.6
612.25433	4.6
613.26483	100.0
614.26813	4.2
624.24640	1.1
634.23499	1.8
636.24658	2.4
645.29089	12.7
652.24847	22.0
653.25677	10.8
654.26312	5.1
684.27509	9.3
685.27997	4.2
694.30615	1.1
742.03314	0.9
757.30273	2.3
758.30115	1.0
775.31812	26.9
776.30829	1.2
807.33386	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	806.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	18.8
57.07056	4.1
65.03928	5.6
67.05502	80.4
69.03424	9.9
69.07063	30.6
71.01343	2.5
71.05007	9.5
71.52549	3.7
77.49907	2.1
79.05489	55.5
81.03413	100.0
81.07050	80.2
82.45510	2.5
83.04980	15.2
83.08624	34.5
85.02882	8.5
85.06520	6.2
91.05478	61.9
93.07036	65.2
95.04379	2.7
95.04963	39.7
95.08601	33.9
97.02879	8.3
97.06533	16.4
97.10146	14.6
99.04498	2.1
99.08057	2.3
103.05441	2.1
105.07026	48.3
107.04962	14.2
107.07881	2.7
107.08588	43.1
109.06522	11.6
109.10142	21.8
111.04411	3.4
111.08070	12.9
115.05424	3.0
116.06157	2.2
117.07001	20.2
119.08568	36.0
121.06509	10.5
121.10127	24.5
123.04391	3.3
123.08051	6.4
123.11700	5.3
125.09611	12.0
129.06990	18.8
131.07616	2.4
131.08565	26.6
133.06465	4.9
133.10133	29.7
135.08060	8.1
135.11678	19.0
137.09578	5.0
139.11122	2.7
141.07001	3.0
142.07805	5.0
143.08524	10.0
145.06445	3.7
145.10106	17.5
147.08011	6.1
147.11673	21.1
149.09598	13.9
149.13255	8.4
151.11156	5.8
153.09106	2.1
155.08508	4.5
157.10132	17.4
159.07959	3.5
159.11737	11.4
161.09618	5.7
161.13271	4.2
163.11139	10.6
165.12715	2.9
169.10089	3.6
171.11707	6.1
173.09619	3.5
173.13274	4.1
175.11160	10.5
175.14799	1.8
177.12799	3.2
181.10020	2.0
183.11629	3.4
185.13295	3.3
189.11203	5.0
193.12222	26.1
195.13773	4.8
197.13184	3.0
199.11227	2.1
199.14813	4.3
205.12228	3.9
208.86575	2.3
211.13081	3.7
217.15836	4.3
225.14757	2.3
227.12735	9.3
229.14296	4.0
247.20628	2.7
249.14821	3.6
253.14320	4.4
255.15846	18.8
257.18982	3.3
267.15906	84.2
269.17435	26.5
273.18484	2.8
275.20062	21.6
291.19641	9.0
293.21017	2.9
317.15948	3.2
349.23807	16.1
351.23071	3.1
365.23233	4.3
367.24820	3.7
369.24008	5.1
375.18069	2.5
387.25397	2.9
421.25806	4.7
435.27094	2.6
443.27649	11.2
447.27396	41.0
448.27615	3.1
461.28958	95.8
462.29169	4.7
467.32022	3.7
493.31622	9.0
497.33841	2.2
501.32068	5.4
511.29279	5.9
541.35138	39.6
559.36151	16.2
569.30493	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	805.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	18.4
65.03935	4.8
67.05495	63.3
69.03410	2.0
69.06728	1.5
69.07060	9.7
71.05160	1.7
79.05489	44.2
81.03416	3.0
81.07047	52.3
83.04960	4.1
83.08606	4.8
85.02892	1.6
85.06529	9.9
91.05476	34.9
93.07043	33.8
95.04372	3.4
95.04960	51.1
95.08596	28.7
95.12195	1.4
97.06514	4.8
97.10162	3.9
102.20698	1.5
105.07029	21.2
107.04969	8.7
107.08584	23.6
109.06506	54.7
109.10158	7.0
111.04426	2.7
111.07248	1.6
111.08066	4.6
113.05997	22.8
117.07006	14.1
119.04912	1.8
119.08576	14.8
121.06454	8.0
121.10151	13.6
123.07988	3.4
123.11713	2.5
125.00005	2.3
125.09565	1.8
128.06194	1.9
129.06976	6.3
131.08572	17.8
133.10130	11.0
135.08038	34.4
135.11656	8.6
137.05934	1.5
137.09546	1.7
141.06938	1.6
143.08560	6.8
145.10121	15.2
147.08075	7.9
147.11633	3.1
149.09586	4.9
149.13226	4.1
157.10095	7.1
159.07979	2.6
159.11696	5.6
161.09598	7.9
161.13193	2.0
163.11105	4.4
165.08990	1.8
171.11661	4.8
173.13261	2.3
177.12657	3.4
183.11707	1.9
184.07303	7.7
199.14813	4.1
217.15874	8.6
219.17194	1.7
255.17393	3.9
273.15567	1.6
273.18475	31.1
275.20041	2.8
279.15814	1.9
291.19510	100.0
292.19867	4.5
335.25793	53.9
336.26050	4.5
347.22235	10.5
365.23169	13.4
567.40259	2.4
607.43652	11.0
625.44525	48.9
626.44543	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	803.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
61.02919	0.6
63.02379	0.9
67.01857	0.6
67.05491	1.0
69.03426	1.0
70.81771	0.9
71.04979	1.7
78.04720	0.4
79.05495	1.0
81.03409	18.9
81.07050	1.0
83.04949	0.3
83.08614	0.4
85.02901	3.8
86.86090	0.3
89.03901	9.3
91.05463	1.1
93.07029	0.9
95.04961	1.1
95.08566	0.5
97.02879	8.2
99.04440	4.6
103.03941	0.4
103.05447	0.6
103.31941	0.3
105.07040	0.6
107.08601	0.4
109.02864	63.4
110.03202	0.4
111.04415	0.8
117.03363	21.8
119.04937	0.6
119.08595	0.5
121.06519	0.4
125.02330	0.3
127.03898	42.4
129.06934	0.4
133.06088	1.2
133.10141	0.4
134.03629	1.6
135.04385	2.1
139.03879	3.1
145.02827	51.9
146.03181	0.4
147.04437	0.8
149.05969	7.7
150.06377	0.3
151.03886	0.4
158.05960	0.5
161.05977	0.4
163.03935	0.8
169.04947	15.2
177.05447	100.0
178.05803	1.2
186.05450	2.0
187.06009	1.3
204.06531	0.7
211.05962	1.2
229.04863	0.6
229.07040	7.4
267.15717	0.4
271.08078	0.5
281.17404	0.8
285.07428	0.6
289.09128	3.0
303.08569	4.0
473.28735	1.4
803.35321	0.3
815.18823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76586	1.1
57.03430	13.1
59.04567	0.9
61.02908	1.0
65.03919	2.1
67.05496	39.5
69.03413	9.6
69.07056	24.6
70.81637	3.2
71.04982	4.7
74.69266	1.0
79.05012	1.4
79.05482	36.1
81.03410	71.3
81.07044	37.9
81.07525	1.8
83.04971	10.0
83.07857	1.1
83.08608	19.8
85.02907	1.6
85.06536	3.5
87.24120	1.0
91.04899	2.1
91.05470	37.3
91.06024	2.3
93.07040	26.6
95.04955	27.2
95.05559	1.4
95.08592	15.7
97.02895	9.5
97.06517	7.3
97.10155	14.2
99.04459	1.3
105.07015	28.9
107.04945	14.4
107.08575	22.6
109.02934	1.3
109.06483	6.4
109.10146	14.4
111.04416	6.2
111.08075	7.4
113.05985	1.2
115.05444	3.0
117.06990	6.6
119.04922	1.6
119.08568	24.2
121.06467	6.2
121.10123	12.2
123.04423	1.3
123.08062	4.6
123.11679	2.3
125.09615	9.5
128.06256	1.4
129.07013	10.6
131.08539	17.1
133.06459	5.2
133.10129	19.4
135.08040	5.6
135.11702	4.7
137.09607	3.3
142.07759	2.8
143.08545	3.0
145.06491	1.5
145.10098	8.3
147.08052	8.2
147.11662	9.7
149.09604	4.6
149.13251	3.6
151.11177	5.4
153.12793	2.1
155.08557	1.9
157.10095	10.5
159.08035	1.7
159.11705	4.2
161.09589	3.2
163.11147	6.1
165.09084	1.3
165.12727	1.9
171.07986	1.3
171.11647	2.7
173.09630	2.4
173.13277	1.3
175.11177	8.1
181.10048	1.1
181.12267	1.3
185.09505	1.3
185.13228	1.7
187.11197	1.6
189.11147	5.5
191.10742	1.8
193.04805	1.1
193.12213	15.7
197.13310	1.8
205.12306	1.6
209.06506	1.1
211.13281	3.2
215.12671	1.3
219.13770	4.0
220.89619	1.0
223.13239	16.8
227.12729	9.2
245.19012	2.3
249.14734	2.2
253.14330	10.4
267.15884	77.0
268.16357	1.6
269.17416	1.5
273.18472	11.0
275.20142	1.3
283.15250	1.4
287.20169	1.4
291.19516	67.5
292.20053	2.2
313.21606	2.6
315.18192	1.4
335.58047	1.2
347.22244	3.3
365.23184	42.9
419.24197	1.3
437.25571	1.3
445.25507	4.9
459.27371	3.8
463.26712	2.4
465.29749	2.2
477.28210	2.9
483.31229	1.6
509.30963	3.4
529.35388	1.5
539.33466	7.8
557.34680	100.0
558.34839	4.0
575.35498	3.3
589.37708	1.9
603.32538	1.2
619.39783	1.2
628.99750	1.3
794.06421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.7
61.02922	7.0
67.05495	5.4
69.03425	3.5
69.07057	1.6
69.21541	8.8
69.76042	0.9
70.30894	0.9
71.81366	1.0
73.02914	4.5
74.83988	0.8
79.05485	4.5
80.36813	1.0
81.03404	1.8
81.07041	6.0
83.08605	1.1
85.02888	6.5
91.03486	0.8
91.03934	4.5
91.05480	3.0
93.07025	4.3
95.08604	4.9
97.02876	6.0
101.02372	1.8
105.06982	1.7
107.08582	2.0
109.10134	1.8
115.03880	1.2
121.10189	2.7
127.03933	1.2
133.10124	1.6
135.11678	1.7
174.24094	0.9
235.86897	0.9
264.92395	0.8
480.84518	1.1
519.29224	15.2
519.35980	1.2
520.29846	0.9
787.92755	0.9
797.51599	100.0
798.52008	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	803.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.7
61.02914	1.2
61.93775	0.2
62.96004	0.2
65.03907	0.2
68.99766	0.4
69.03423	3.5
69.24285	0.2
69.54839	1.4
70.06562	0.2
71.01344	0.3
71.04968	0.3
73.02901	0.5
74.13864	0.2
81.03413	1.7
83.01343	0.3
85.02898	11.6
87.04434	0.2
91.03964	0.3
95.01305	0.7
95.04980	0.2
97.02888	4.0
98.03184	0.2
99.04421	0.5
105.03416	0.2
109.02834	1.0
111.00801	0.7
113.02324	0.3
121.02857	0.9
123.04414	0.3
127.03909	3.1
131.03395	0.3
135.04401	0.3
137.02324	4.0
137.03313	0.2
139.03873	0.4
141.01805	2.5
145.04932	2.3
149.02365	0.5
153.01819	3.2
159.02847	0.7
161.05981	0.2
163.03876	0.8
163.05962	0.2
163.72316	0.2
165.01825	1.8
173.05943	0.4
179.03429	0.2
183.02876	0.6
187.03906	0.2
191.03410	0.2
201.05455	1.2
205.04893	0.2
229.04959	3.1
247.06000	0.6
257.04425	2.4
258.04715	0.2
274.04630	0.6
285.03891	1.0
303.04950	100.0
304.05295	3.6
315.04974	0.6
327.04758	0.3
345.06158	1.1
369.06058	0.2
461.06882	0.4
479.08179	17.7
480.08765	1.0
641.13538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66973	0.3
56.05037	0.4
63.54665	0.3
63.67942	0.3
67.05510	0.7
67.27420	0.4
68.05000	0.4
69.07055	2.5
70.71663	1.1
71.08611	1.1
74.61561	0.4
79.05479	0.7
81.07040	1.3
86.09695	100.0
87.10023	1.3
91.05468	0.4
92.75983	0.3
93.07040	0.5
95.08585	0.7
97.06521	1.9
98.09682	23.0
99.05572	0.7
99.10018	0.4
110.09641	0.9
114.09134	0.8
124.99949	0.4
126.09140	2.0
127.12350	0.5
132.10190	1.8
143.11775	41.4
144.12151	0.6
154.15869	6.6
155.11797	4.4
171.11276	12.3
181.09721	0.5
182.15387	2.5
183.11273	2.8
184.07327	1.5
189.12297	2.4
193.17130	0.5
200.16438	7.8
210.14854	1.1
211.18028	61.8
212.18340	1.5
221.16397	1.0
228.15909	4.0
239.17519	11.7
240.17969	0.4
245.18559	0.6
246.14302	0.5
249.15941	1.6
257.18582	7.7
267.17026	4.9
285.18103	6.6
286.18011	0.4
295.23639	0.6
302.20764	0.7
313.24777	2.0
323.23080	0.6
342.20087	1.8
353.24213	2.9
370.26950	25.9
371.27191	1.0
381.30612	0.5
398.26486	6.0
416.27319	0.6
426.40320	0.4
427.29245	3.6
438.33209	18.8
439.33194	0.5
455.28632	3.7
466.26434	0.6
466.32751	7.2
467.32272	0.4
489.18442	0.4
494.31647	0.5
495.35132	0.6
512.33160	1.8
523.34863	10.7
524.34955	0.5
540.37634	1.2
561.39514	1.5
568.37103	0.4
569.35126	1.4
579.41077	0.8
586.37842	1.9
597.42096	4.9
608.43567	0.6
625.41425	5.2
636.42755	0.8
654.44104	1.2
663.44080	0.9
664.42108	0.9
682.43915	4.3
683.43646	0.7
710.50085	0.6
767.52606	15.6
768.51929	1.4
777.49896	1.2
785.93958	0.4
795.51398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.8
57.03429	7.5
57.07056	1.1
61.02900	2.2
65.03915	2.0
67.05495	48.4
69.03393	1.4
69.07057	11.3
71.02917	1.1
71.03253	0.9
71.04974	1.7
71.08617	0.8
77.77203	0.6
79.05480	28.6
81.03408	0.6
81.07043	44.5
83.04951	1.5
83.08604	6.8
85.02892	1.8
85.06516	1.7
88.89250	0.6
91.03930	1.3
91.05458	16.5
93.07028	36.6
93.39245	0.5
93.44654	0.6
95.04938	2.7
95.08593	35.2
96.08898	0.6
97.02837	1.2
97.06495	2.0
97.10147	2.8
99.08081	1.0
105.07018	13.9
107.07880	1.3
107.08577	19.6
107.09306	1.2
109.06430	0.8
109.10138	17.3
111.08041	1.4
117.07001	5.1
119.08562	10.9
121.10126	17.0
123.08061	1.1
123.11693	8.3
125.09598	1.0
129.06976	1.2
131.08530	9.1
133.10114	11.6
135.11667	12.1
137.09625	1.3
137.13235	2.5
139.11136	0.8
143.08527	2.2
143.20300	0.6
145.10103	8.1
146.96651	0.7
147.11653	9.1
149.09592	0.6
149.13243	9.1
157.10103	2.7
159.11641	7.0
161.13246	7.2
163.14778	4.2
165.12868	0.8
165.16429	0.8
171.11641	1.4
173.13220	7.9
175.14818	3.9
177.16408	1.4
179.14307	0.9
185.13304	1.6
187.14806	3.0
199.14841	1.2
201.16379	2.0
213.16434	0.9
219.17477	0.7
231.20926	0.7
241.19516	2.4
243.20976	5.9
257.18893	0.8
259.20578	6.7
261.22095	16.9
263.23706	1.8
277.21683	1.4
287.23630	0.9
315.23026	0.9
317.24826	3.7
325.25198	1.0
333.24252	5.8
335.25742	100.0
336.26035	2.7
337.27298	9.2
355.30032	0.7
438.09137	0.7
503.42996	0.7
521.43506	2.5
539.44666	1.3
595.47107	13.7
596.47760	1.2
610.60339	0.6
613.48242	9.8
786.77362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.0
55.05502	24.4
55.49572	2.0
56.69199	1.9
57.03427	18.8
61.02924	2.8
65.03908	3.6
67.05495	58.0
69.03419	8.2
69.07053	24.3
69.26028	2.3
71.04979	5.4
71.53152	3.1
79.05484	47.1
81.02926	4.5
81.03407	87.3
81.07047	66.2
82.03767	2.3
83.04960	12.6
83.08605	29.1
85.02880	6.7
85.06531	4.6
86.09686	6.8
90.23226	2.1
91.05465	42.4
93.07033	52.6
94.07292	2.2
95.04947	36.1
95.08599	32.7
96.01857	2.2
96.94154	2.1
97.02895	6.2
97.06509	14.5
97.10152	11.8
99.08106	3.1
101.91540	2.2
103.05442	3.5
105.07014	44.4
107.04949	13.3
107.08576	32.2
108.72801	2.4
109.02823	2.6
109.06519	9.9
109.10121	11.5
111.08070	8.0
115.05418	3.7
117.06988	13.9
119.04977	2.4
119.08557	31.8
121.06487	12.4
121.10123	23.9
123.04440	3.5
123.08075	5.4
123.11701	5.0
124.99952	4.3
125.09601	9.9
129.05515	3.5
129.06995	13.2
131.08531	23.3
132.08862	2.6
133.06429	4.8
133.10107	24.1
135.08046	6.2
135.11679	12.7
137.09602	2.7
141.07019	2.9
143.08514	7.9
145.06422	4.7
145.10085	15.9
147.04341	5.2
147.08110	5.1
147.11665	16.7
149.09563	12.0
149.13229	4.9
151.11163	2.4
155.08521	2.6
157.10126	13.8
159.11687	9.8
161.09563	3.2
161.13306	3.0
163.11191	8.5
165.12730	2.6
169.10054	5.0
171.11658	5.4
173.09669	2.8
173.11783	2.5
173.13245	4.2
175.11145	12.0
177.05544	2.5
177.12772	4.4
183.11603	2.7
184.07326	16.5
185.13206	3.1
189.11121	4.1
193.12187	21.7
197.13199	2.6
201.12711	3.0
211.13295	2.4
217.15833	4.5
227.12766	7.6
255.15817	13.8
257.19006	3.9
267.15887	80.9
268.16293	3.3
269.17407	29.3
273.14767	2.6
273.18628	2.7
275.20007	18.8
349.23715	14.9
350.23947	2.3
351.23105	2.7
367.25021	3.3
369.24219	4.1
387.25113	4.3
421.25998	3.3
443.27902	9.6
447.27359	22.8
449.30258	3.3
461.28934	100.0
462.29199	7.0
479.30011	13.3
541.35205	39.4
559.36212	16.3
577.37305	2.6
605.32410	2.8
612.35352	2.8
649.37109	2.9
802.62274	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
56.05010	0.7
57.03419	0.5
57.07064	0.4
58.06602	0.6
60.08156	5.4
65.05522	0.4
67.05513	2.0
69.07059	0.7
70.57172	0.3
71.07363	3.2
71.26463	0.8
79.05470	1.6
81.03409	0.4
81.07037	1.7
86.09696	29.4
91.05457	1.1
93.07025	1.2
94.66061	0.3
95.08582	1.4
97.06496	0.4
98.98453	3.0
104.10718	3.3
105.07020	1.1
107.08582	1.3
108.08945	0.4
109.10105	0.7
113.76232	0.3
119.08562	0.8
120.08892	0.4
121.10137	0.5
124.99990	17.2
131.08530	0.7
133.10126	0.7
143.01039	0.5
146.10435	0.4
147.11612	0.4
149.09592	0.3
163.09607	0.3
184.07318	100.0
185.07678	0.9
274.30307	0.3
275.20013	0.4
300.11505	0.4
335.25772	0.9
349.23682	0.6
350.24069	0.6
602.68195	0.4
610.45581	0.5
772.51129	0.7
790.52295	6.6
791.52209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.6
55.05508	28.4
57.03424	14.5
61.02917	3.7
65.03928	4.9
67.05495	91.9
69.03396	7.5
69.07059	27.0
70.39458	12.8
71.04988	25.5
73.02882	5.5
76.59152	4.0
79.05484	67.4
81.03414	33.4
81.07048	100.0
83.04972	11.0
83.08602	18.8
84.04018	3.9
85.02916	5.0
85.06524	8.9
91.04900	5.1
91.05470	76.6
93.07032	76.8
95.04965	22.6
95.08598	43.4
97.02872	8.4
97.06526	11.8
97.10156	11.6
99.08083	8.9
105.07015	56.6
107.04899	9.2
107.08586	35.6
109.06485	7.8
109.10132	29.1
111.08051	9.1
117.07001	25.3
119.08577	38.4
121.06464	7.0
121.10137	29.5
123.08055	8.3
123.11702	6.1
124.99993	3.7
125.09595	13.5
128.06224	3.8
129.06999	16.0
131.08585	31.3
133.06487	4.0
133.10124	35.7
135.08064	7.5
135.11684	20.0
137.09607	4.8
138.58865	4.0
143.08524	12.6
145.10088	24.4
147.11665	17.7
149.09575	12.2
149.13237	11.2
151.11162	11.0
155.08548	8.6
157.10045	19.0
159.11700	19.1
161.09653	4.8
161.13219	11.0
163.11119	5.1
171.11664	13.3
173.13249	12.9
175.11188	6.3
177.12720	5.3
184.07320	17.2
185.13127	6.1
187.13339	4.8
193.12251	8.5
195.13547	5.1
199.14771	6.6
227.12752	10.8
229.14363	6.5
259.20520	12.7
267.09128	4.5
267.15869	21.9
269.17429	12.0
271.99741	4.3
275.19983	16.6
291.19473	4.6
301.16824	4.0
301.20105	11.7
333.24155	9.9
349.23666	14.0
423.27109	6.0
433.30594	8.5
437.28973	12.3
449.28967	10.3
451.31555	8.7
469.33081	4.3
477.28345	5.0
495.33691	19.0
517.34827	21.1
525.35742	42.1
543.36725	84.7
557.38141	7.8
575.38708	17.8
650.98846	4.8
791.36438	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.3
55.05506	18.4
57.03435	10.7
57.07066	2.1
59.04993	2.3
59.12116	1.1
61.02905	2.6
65.03919	3.9
67.05498	65.9
69.03419	9.7
69.07064	24.5
71.01334	1.3
71.04600	2.0
71.04986	33.1
71.52509	1.7
73.02909	2.0
79.05485	39.3
80.05791	1.2
81.03418	12.2
81.07049	100.0
82.07370	2.5
83.04971	9.9
83.08603	14.0
85.02888	4.2
85.06537	9.5
91.05473	43.7
93.07032	43.1
94.07355	2.1
95.04956	8.0
95.08595	22.4
97.02887	4.0
97.06509	12.6
97.10151	5.5
99.04438	1.5
99.08067	2.7
105.07023	27.9
106.07365	1.6
107.04961	7.2
107.08579	28.1
109.02823	1.9
109.06507	7.9
109.10139	11.9
111.04387	1.3
111.08078	5.5
113.06000	1.1
117.07034	10.6
119.08577	14.8
121.06525	2.7
121.10131	14.5
123.08084	2.9
123.11694	14.9
125.09629	4.6
127.03912	2.8
128.06200	1.3
129.05562	1.3
129.07033	2.9
131.08566	13.9
133.10115	25.4
135.08058	4.1
135.11691	11.8
137.09608	3.2
137.46638	1.1
143.08556	3.1
145.06432	1.4
145.10129	8.7
147.07980	1.4
147.11676	6.2
149.09622	8.0
149.13257	8.6
151.11154	9.6
152.81004	1.2
157.10091	3.2
159.11679	12.7
161.09665	1.7
161.13219	1.8
163.11162	4.0
165.12689	1.4
169.10121	2.1
169.12172	1.4
171.11702	3.1
173.13263	2.6
175.11200	1.6
177.12714	4.0
179.14326	1.2
181.12169	2.0
183.11623	1.2
183.13803	4.0
184.07370	1.5
185.13361	1.4
187.13264	3.9
189.11171	1.8
193.12228	1.6
195.13791	3.7
197.13318	1.7
213.14900	1.8
218.35355	1.0
225.14912	1.6
227.12698	3.1
231.15582	1.5
239.17906	1.4
243.15872	4.0
255.15930	1.7
257.19229	2.4
267.15747	1.9
268.16165	2.2
269.17416	12.5
275.20023	13.3
276.20560	1.8
292.19058	1.6
293.19067	2.5
301.20041	18.9
349.23657	11.3
350.23938	1.7
413.26187	1.4
423.27380	5.4
427.26950	1.5
437.28979	19.8
445.29755	2.4
449.29019	15.4
451.30469	5.5
461.28970	1.3
463.30438	17.3
463.73206	1.2
477.32181	2.4
481.31754	5.6
495.33145	27.8
499.33978	2.2
503.33826	1.5
517.35229	26.6
525.36017	1.8
531.36877	4.4
535.36255	3.3
541.35071	2.3
542.34650	2.5
543.36493	17.7
561.37878	3.5
575.39435	9.8
581.32666	2.1
593.40063	1.9
607.34473	2.9
754.45410	1.3
790.50305	6.1
819.76892	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	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.0
58.06595	0.3
60.08154	6.4
67.05489	0.6
71.07367	4.1
71.53281	0.4
71.53636	0.4
79.05467	0.7
81.07066	0.7
86.09698	35.0
91.05435	0.6
93.07046	0.5
95.08591	0.4
98.90553	0.3
98.98456	3.8
102.86642	0.3
104.10717	2.9
104.14285	0.3
105.07036	0.7
124.99990	22.8
143.00992	0.5
184.07321	100.0
185.07648	0.7
253.68155	0.3
269.99557	0.4
365.73431	0.4
424.14166	0.3
470.74182	0.3
509.53961	0.4
690.46863	0.7
706.65814	0.4
770.53558	0.5
788.54309	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	789.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05495	18.5
56.66267	5.1
57.03435	12.5
60.08128	7.8
63.53860	4.5
67.05492	54.0
69.03393	9.4
69.07046	20.5
77.63171	4.5
79.05498	42.6
81.03411	11.9
81.07055	54.8
83.04982	7.3
83.08588	8.7
85.02897	7.1
86.09696	30.2
87.10006	7.2
91.05469	44.8
93.07037	58.3
95.04943	10.6
95.08594	34.9
105.07029	37.9
107.04926	6.1
107.08572	27.6
109.06486	7.9
109.10121	16.1
117.06970	14.0
119.08568	25.9
121.10131	15.6
123.11684	5.6
124.99988	17.3
125.53427	4.9
127.44469	4.9
129.06952	5.9
131.08539	21.3
133.10115	24.2
135.11655	9.4
145.10149	10.1
147.11681	7.2
149.09590	7.1
159.11644	7.0
161.13274	6.4
173.13278	5.2
177.12904	6.2
184.07320	100.0
185.07637	10.1
219.17403	14.3
247.20316	6.3
257.18936	6.8
275.20029	33.5
334.89758	5.8
335.25763	54.2
349.23727	20.9
609.45160	33.6
627.45227	6.7
708.75574	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	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.3
55.05505	31.1
57.03431	11.6
57.07058	2.2
61.02920	10.3
65.03922	4.3
67.05495	69.2
68.05816	1.3
69.03436	7.6
69.07059	25.4
69.25407	12.1
71.04972	4.3
73.02899	3.6
79.05484	63.1
81.03399	5.3
81.07044	79.9
83.04960	6.7
83.08614	13.4
85.02890	9.4
85.06535	3.5
91.03928	3.3
91.05469	62.6
92.05798	1.2
93.07028	65.8
94.07375	1.3
95.04970	11.9
95.08593	52.2
97.02872	7.9
97.06503	8.5
97.10133	7.0
99.08054	1.7
103.05449	3.2
105.04488	1.3
105.07018	53.3
107.04928	5.6
107.08578	32.2
109.06512	10.8
109.10143	20.2
111.08079	4.6
113.05962	1.6
115.05435	5.8
116.06242	2.8
117.07002	43.8
119.04936	2.7
119.08567	38.8
120.08918	1.4
121.06504	5.3
121.09328	1.7
121.10136	20.9
123.08038	7.0
123.11678	6.2
125.09606	3.1
127.03927	1.9
128.06197	14.2
129.06987	28.2
130.07816	7.0
131.08548	53.5
133.06509	10.3
133.10091	23.1
135.08012	8.5
135.11674	10.3
137.09619	3.3
139.07619	1.4
141.06964	10.1
142.07785	6.1
143.08543	50.3
144.09053	1.2
145.06461	3.4
145.10104	69.3
146.10503	1.9
147.08046	9.7
147.11659	14.2
149.09573	6.9
149.13234	4.5
151.11174	1.8
155.08524	10.0
157.06461	1.4
157.10114	25.8
158.10637	1.5
159.08009	3.9
159.11679	23.7
161.09593	14.4
161.13248	4.6
163.11212	8.7
163.14865	2.0
165.06868	1.7
165.37524	1.2
166.07953	1.4
167.08528	4.3
169.10135	13.4
171.08084	1.5
171.11650	17.7
172.12148	1.2
173.09610	5.6
173.13232	7.7
175.11172	9.7
175.14931	2.0
177.09198	1.5
177.12692	4.1
181.10109	8.5
183.11661	8.4
184.12256	1.4
185.09605	3.8
185.13179	9.1
187.11139	4.0
187.14845	2.0
189.12732	3.9
191.10608	2.1
192.24847	1.1
195.11681	13.5
197.13242	4.0
199.11107	2.6
199.14778	2.9
201.12823	1.9
203.10513	1.4
203.14272	2.1
203.22331	1.3
209.13240	4.0
211.14763	3.6
213.12819	2.6
213.16304	1.8
215.14352	2.8
217.12216	2.6
227.14389	1.5
227.17934	9.0
237.16341	13.8
241.14284	1.8
243.20979	1.2
245.18918	8.3
255.17413	21.8
255.19965	0.8
256.17889	1.2
261.22192	3.0
265.14331	1.4
273.18451	74.6
274.18784	3.3
291.19333	6.0
297.18396	1.5
317.24600	1.6
329.21014	4.6
335.25763	100.0
336.26074	5.1
347.22131	36.1
348.22464	2.5
365.23175	2.0
417.23270	1.6
446.23328	1.1
607.43433	37.1
608.43640	2.8
625.44501	10.5
787.49719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.9
55.05239	2.2
55.05502	44.9
57.03191	1.4
57.03428	15.9
57.07073	3.1
58.14836	1.1
58.22995	1.3
59.04990	1.6
61.02917	9.3
65.03915	5.1
67.05494	73.9
69.03415	9.0
69.07056	25.5
71.04967	4.0
73.02914	1.9
77.03911	2.7
79.05481	63.5
80.05828	1.6
81.03411	5.5
81.07044	81.8
83.04973	7.4
83.08604	18.4
85.02897	7.3
85.06493	3.4
91.03922	3.1
91.05466	84.5
92.05798	1.6
93.07027	69.5
94.07308	1.3
95.04966	12.4
95.08591	55.8
96.08928	1.6
97.02871	6.5
97.06509	8.7
97.10152	10.6
98.21522	2.9
99.08061	2.3
103.05431	5.2
105.07012	71.6
107.04958	7.2
107.08572	31.3
107.77654	1.1
109.06503	13.5
109.10150	18.3
111.04359	1.2
111.08044	4.9
115.05431	10.2
116.06213	6.1
117.06997	47.4
119.04932	2.1
119.08569	37.0
120.08833	1.1
121.06487	7.0
121.10123	21.1
123.08052	10.6
123.11692	4.5
125.05945	1.3
125.09585	5.5
127.03854	2.3
127.07552	1.2
128.06201	26.6
129.06990	28.6
130.07770	10.9
131.08545	93.5
132.08931	1.5
133.06471	11.7
133.10110	22.3
135.08054	6.4
135.11656	12.9
137.09586	4.4
139.11172	2.9
141.06956	12.7
142.07800	7.9
143.08539	100.0
144.09200	2.0
145.06453	5.0
145.10098	98.6
146.10466	2.8
147.08029	11.4
147.11661	11.5
149.09593	5.5
149.13222	6.4
151.07527	2.6
153.06950	2.3
154.07736	2.2
155.05975	2.6
155.08548	11.2
156.09222	1.6
157.10098	28.0
159.08029	4.5
159.10440	0.9
159.11670	24.0
160.12065	1.4
161.09595	16.8
161.13220	4.6
163.11125	5.0
163.14769	1.1
165.06963	3.7
165.09274	1.4
166.07713	2.1
167.08513	5.2
168.09317	1.5
169.10115	19.7
171.08040	2.3
171.11661	16.3
173.09599	4.7
173.13214	7.1
175.11131	8.4
175.14804	2.9
177.09108	1.5
177.12735	6.6
179.08617	1.1
180.09253	2.5
181.10074	15.2
182.10635	1.5
183.11679	11.8
185.09601	2.2
185.13240	9.8
187.11098	3.8
187.14828	2.8
189.12654	2.3
191.14343	1.2
193.12238	1.4
195.11664	22.0
196.12091	2.3
197.13232	2.7
199.11119	4.0
199.14899	1.8
201.12758	3.0
207.11688	2.0
209.13235	3.9
211.14742	4.1
213.12738	3.8
213.16275	1.9
217.15932	1.5
222.14159	1.4
227.12602	1.6
227.17955	6.8
229.19644	1.2
231.17363	1.2
237.16341	24.1
241.14279	3.6
243.20992	2.0
245.18945	4.7
255.17401	29.1
256.17822	1.9
261.22104	4.3
267.65997	1.2
271.16794	1.5
273.18451	76.7
274.18716	4.8
275.20062	2.4
291.19431	4.8
329.21164	7.1
335.25745	80.4
336.26086	4.0
347.22122	43.6
348.22403	1.7
527.37433	1.5
527.95325	1.3
529.38586	2.1
540.95697	1.1
607.43475	46.6
608.43854	6.5
625.44226	5.0
787.49597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.1
57.03397	0.1
58.70310	0.1
58.79189	0.1
61.02894	0.1
62.14843	0.1
62.51504	0.1
67.01821	0.3
68.99774	0.3
69.03422	0.3
69.45415	0.6
70.06544	0.1
71.01314	0.1
73.02876	0.2
75.05586	0.1
81.03363	0.2
85.02897	1.6
95.01275	0.1
97.02876	0.6
109.02809	0.2
112.12674	0.1
112.47108	0.1
113.02364	0.1
123.04361	0.1
127.03870	0.4
129.01750	0.1
135.04384	0.9
137.02333	0.5
139.03833	0.1
141.01778	0.6
145.04907	0.2
153.01810	2.8
159.02902	0.1
161.02303	0.5
171.02835	0.7
179.03369	0.2
201.05513	0.1
203.03404	0.1
219.06474	0.1
241.04866	0.4
245.04343	0.2
259.06027	0.1
263.05475	0.1
269.04416	0.3
287.05457	100.0
288.05789	2.1
299.05664	0.2
300.05960	0.1
317.06372	0.3
319.04175	0.1
329.06421	0.2
431.10974	0.1
445.08023	0.2
449.10745	12.9
450.10995	0.3
463.08649	3.1
607.12390	0.1
625.13916	4.3
787.19067	1.1
788.18848	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	787.2279
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01837	0.2
55.05481	0.2
57.03431	1.3
59.04976	0.2
61.02882	0.6
68.99796	0.2
69.03419	1.2
70.46077	0.1
71.04992	8.6
71.27585	0.3
73.02879	0.4
75.04436	0.4
81.03379	0.5
83.04999	0.9
85.02901	13.6
87.04418	0.4
92.02575	0.2
93.03353	0.5
97.02876	1.4
99.04385	0.3
109.02836	0.5
111.04404	0.3
121.02828	0.5
123.04404	0.2
126.03133	0.2
127.03895	0.8
129.05470	2.5
135.04390	0.3
137.02280	0.3
139.03854	0.7
145.04930	0.8
147.04375	0.1
147.06497	0.9
151.03870	0.8
153.01825	4.5
159.37352	0.1
163.03883	0.3
165.01758	0.5
169.49892	0.1
177.05511	0.2
183.02832	0.2
201.05371	0.4
203.03389	0.2
214.98457	0.1
218.05766	0.3
219.02917	0.2
219.54536	0.1
228.04150	0.5
229.04953	1.8
231.03021	0.2
243.06441	0.2
245.04411	0.3
246.05229	1.1
256.03574	0.3
257.04453	1.8
260.03052	0.4
261.07440	0.3
271.06012	0.2
273.04050	0.9
273.06570	0.2
274.04688	3.2
285.03903	3.4
287.05487	16.5
288.05960	0.8
299.05258	0.2
302.04199	11.4
317.06534	100.0
318.06964	2.4
329.06406	0.3
359.07724	0.4
383.07730	0.2
461.10352	0.2
463.08505	1.2
479.11829	23.7
480.12286	0.6
561.23358	0.2
625.13965	0.9
722.63684	0.2
789.69604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05272	0.9
55.05507	11.2
57.03435	6.7
59.04984	0.8
61.02921	24.9
65.03915	1.5
67.05498	25.6
69.03420	8.6
69.07056	10.2
69.64788	4.6
71.04974	2.1
73.02904	7.5
75.92457	0.6
79.05486	22.8
81.03404	5.6
81.07044	24.9
83.04955	2.5
83.08605	8.7
85.02895	27.2
85.06526	2.4
87.04446	1.0
88.04315	0.7
91.03944	16.4
91.05470	29.8
93.07034	20.9
95.04960	5.4
95.07997	0.8
95.08597	16.0
97.02877	18.4
97.06504	3.6
97.10144	2.7
99.04443	2.8
99.08094	1.2
103.05439	1.4
105.07018	21.0
107.04923	4.5
107.08572	9.8
109.02888	3.3
109.06532	5.4
109.10149	7.2
111.08055	2.1
115.05442	3.7
116.06245	0.7
117.07009	18.8
119.04920	2.1
119.08572	12.2
121.06467	3.6
121.10138	6.5
122.76961	0.6
123.08029	2.6
123.11660	0.9
125.09602	1.6
127.03895	6.3
127.07533	0.8
128.06180	4.8
129.05505	1.3
129.06984	21.7
130.07668	0.8
131.04904	1.9
131.08543	25.5
132.08891	0.8
133.06493	4.1
133.10100	9.7
135.08035	3.9
135.11691	4.0
137.05980	0.9
137.09608	1.6
139.11217	1.5
141.05975	1.3
141.06973	12.7
142.07747	2.8
143.08540	18.4
145.04951	3.9
145.06471	6.2
145.09030	1.3
145.10100	12.8
147.04405	1.4
147.08067	4.3
147.11647	4.9
149.05893	1.2
149.09615	4.6
149.13213	1.1
151.11131	1.1
153.06998	2.5
154.07799	1.4
155.08530	16.8
157.06487	2.1
157.10103	10.7
159.08052	5.0
159.11653	8.1
161.05943	0.7
161.09612	2.6
163.06010	2.0
163.11168	2.6
165.06987	1.9
165.12744	1.0
166.07813	1.0
167.08568	6.9
168.09409	0.8
169.06445	0.7
169.10095	11.6
171.08040	2.5
171.11641	8.1
173.09654	2.1
173.13255	2.3
175.11108	3.7
175.14757	0.8
177.05481	1.4
177.12756	2.9
179.08508	3.5
180.09286	0.7
181.10097	8.2
182.10799	0.8
183.07990	1.1
183.11652	6.1
185.09645	2.7
185.13245	4.9
187.11168	2.3
187.14828	1.9
189.12755	1.9
191.08568	0.9
191.10657	0.9
193.10098	3.8
193.11935	0.8
195.11688	8.0
197.09631	0.8
197.13293	4.8
199.11165	2.5
199.14804	2.4
201.12752	2.5
203.14378	1.2
206.10866	1.0
207.11714	3.2
209.13226	5.1
211.11147	2.0
211.14830	4.0
213.12701	2.1
213.16409	1.8
215.14417	3.2
217.15930	0.8
219.11662	1.1
221.13283	6.1
222.14072	0.9
223.11166	0.8
223.14757	5.6
225.12761	2.4
225.16357	2.1
227.14400	1.6
229.14101	1.3
229.16054	1.6
231.17281	0.9
233.13310	1.1
233.15454	1.0
235.14801	2.9
237.16513	1.3
239.14326	3.5
239.17982	0.8
241.15984	1.6
245.15514	1.0
249.16399	1.0
251.14482	1.0
253.15947	3.2
255.17419	0.8
257.15289	2.6
259.16922	1.5
269.15323	1.4
271.16772	3.5
275.16351	1.1
285.18393	1.3
303.19385	0.8
305.22672	1.8
315.21039	1.3
323.23630	3.4
333.22070	10.1
341.24673	5.9
351.23138	29.6
352.23514	2.2
369.24213	19.5
370.24533	2.1
387.25244	11.7
407.25726	0.9
415.28448	1.0
425.26868	7.1
433.29489	1.4
443.27878	100.0
444.28186	6.4
458.44617	0.8
461.28912	56.4
462.29092	4.1
485.28961	1.1
503.29913	1.9
532.37622	0.7
551.30054	1.4
569.31274	0.9
587.32025	2.0
594.04663	0.7
605.33563	3.2
623.33881	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	778.5363
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05026	0.6
58.06622	0.5
58.35393	0.1
58.82985	0.1
59.07402	0.1
60.08153	5.7
64.74165	0.1
69.83105	0.8
71.07361	3.5
74.22842	0.1
81.07040	0.2
86.09691	30.6
87.10030	0.3
93.07049	0.1
98.98450	3.3
104.10719	2.2
104.11343	0.2
109.91477	0.1
110.24473	0.1
124.99981	20.9
143.01035	0.4
148.03250	0.2
149.62750	0.1
159.05750	0.1
184.07309	100.0
185.07651	1.1
778.53784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
55.05507	12.0
55.65160	0.5
57.03432	6.5
57.07056	0.8
59.04993	0.9
61.02922	28.4
62.10528	0.6
65.03924	2.0
67.05499	26.9
69.03418	6.7
69.07062	10.7
69.64774	4.4
71.01335	0.8
71.04987	3.0
73.02911	7.6
79.05485	20.5
81.03417	6.8
81.07047	25.4
83.04955	3.2
83.08613	7.3
85.02896	28.2
85.06532	1.9
87.04433	0.8
88.89567	0.7
91.03949	16.8
91.05473	34.0
93.07034	19.5
95.04983	5.3
95.08600	18.3
97.02876	18.0
97.06541	4.2
97.07121	0.8
97.10158	2.8
99.04453	2.0
99.08087	0.9
101.02374	1.2
102.07889	0.6
103.03911	0.8
103.05460	1.7
105.07022	22.6
105.44258	0.6
107.04955	4.7
107.08580	9.9
109.02872	2.2
109.06488	5.1
109.10137	6.5
111.08079	2.8
115.03925	1.9
115.05427	3.8
116.06246	0.9
117.07004	19.9
119.04935	1.2
119.07721	1.0
119.08568	14.2
121.06505	3.7
121.10129	6.1
123.04545	0.7
123.08035	3.9
123.11674	1.3
125.09626	2.1
127.03922	6.5
128.06213	5.5
129.05540	0.9
129.06998	22.6
130.07829	0.6
131.04924	1.8
131.08551	25.9
132.08876	0.6
133.06488	4.9
133.10104	7.7
135.08044	4.4
135.11694	3.3
137.05936	0.8
137.09578	1.6
139.11201	0.7
141.06984	9.3
142.07756	2.2
143.08540	19.5
145.04948	5.5
145.06471	6.9
145.10115	12.4
147.04340	1.0
147.08032	4.7
147.11714	3.5
149.09601	4.4
149.13272	1.6
151.11183	1.8
152.84047	0.6
153.07002	2.0
154.07750	0.9
155.08549	16.7
156.09204	0.6
157.06505	2.1
157.10106	10.5
159.08035	5.1
159.11673	8.6
161.09579	2.5
161.13293	1.0
163.06032	2.2
163.11142	2.3
165.05728	0.6
165.07008	2.4
166.07802	1.0
167.08566	7.7
168.09282	1.5
169.06427	0.9
169.10127	10.8
171.08043	3.4
171.11659	6.8
173.04411	0.9
173.05922	0.7
173.09610	2.6
173.11940	0.7
173.13190	3.3
175.11119	3.5
177.05495	2.0
177.12718	2.8
179.08501	3.9
180.09251	0.8
181.10098	8.2
182.10814	0.8
183.08080	1.3
183.11687	7.8
185.09650	2.6
185.13202	4.9
187.11157	2.4
187.14832	1.9
189.12694	1.4
191.08571	0.9
192.09381	1.0
193.10097	4.2
193.11784	0.6
194.10828	0.8
195.08078	0.8
195.11685	8.1
197.09537	1.8
197.13235	5.9
199.11179	1.7
199.14854	3.0
201.12764	2.0
203.10745	1.1
203.14296	2.0
205.10101	1.7
205.12177	1.0
207.11774	3.7
207.13634	1.0
209.13229	4.9
211.11215	1.6
211.14790	4.3
213.12749	1.9
213.16452	2.1
215.14314	3.7
217.15741	0.9
219.11719	1.1
221.13211	7.3
223.14812	5.2
225.12747	1.8
225.16389	1.3
227.14360	1.4
229.15939	1.0
231.17406	1.0
233.13255	1.5
235.14835	3.9
237.12782	0.8
237.16377	1.9
239.14313	4.0
241.15851	2.1
243.13814	0.9
243.17426	0.9
245.13158	1.3
247.14742	0.8
249.16368	1.3
253.15877	2.9
257.15326	2.7
259.16904	1.6
267.17459	1.1
271.16913	2.8
275.16519	1.0
283.16986	0.8
285.18576	1.8
303.19302	0.7
305.19208	0.7
305.22629	1.6
315.21002	2.0
323.20151	0.8
323.23663	3.6
333.22113	10.6
341.24802	4.6
345.20871	0.7
351.23154	30.8
352.23309	1.1
355.16992	0.7
369.24191	23.0
370.24719	1.2
387.25204	12.0
407.25702	1.3
415.28485	1.3
425.26828	8.2
433.29538	1.7
443.27878	100.0
444.28192	5.1
461.28937	62.7
462.29010	3.4
462.57260	0.7
485.28806	2.0
486.39801	0.7
495.28033	0.8
503.30038	2.5
531.28857	0.9
551.29816	1.4
569.30927	1.1
587.31952	2.1
605.33008	3.8
623.34253	1.7
784.50482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05502	17.4
57.03437	12.1
57.07051	3.9
61.02899	1.9
61.03188	1.6
67.05502	51.5
69.03421	1.8
69.07058	21.5
70.24403	6.5
70.24773	3.3
71.01363	1.8
71.04971	5.3
71.61076	1.7
79.05482	45.5
81.03412	3.5
81.07049	58.1
82.12605	1.6
83.04974	5.6
83.08604	7.0
83.63111	1.8
85.02893	3.4
85.06534	2.8
86.09686	2.0
88.27271	2.1
91.05471	17.3
93.07029	50.1
95.04950	4.4
95.08598	39.0
95.21489	1.8
97.02867	3.1
97.06504	6.3
97.10149	5.6
99.04413	1.9
105.07017	13.4
107.04951	6.8
107.08585	25.6
109.06518	2.5
109.10150	12.2
111.04425	5.2
111.08128	2.3
111.11703	5.1
117.07011	8.3
119.08571	18.2
121.06502	5.2
121.10132	63.2
123.08031	3.0
123.11666	3.6
125.06022	3.4
129.06946	1.9
131.08551	12.5
133.10091	7.6
135.11662	23.9
139.11179	20.1
143.33969	1.7
145.10136	17.7
147.11650	4.8
149.09622	6.1
149.13203	4.2
153.12654	2.1
155.08528	3.3
159.11627	3.1
161.13223	3.5
163.11157	23.3
167.10649	2.8
173.09587	4.8
173.13165	1.9
181.12231	8.1
184.07355	5.3
185.11687	6.1
187.14841	1.8
191.10645	6.7
203.12784	3.8
209.11624	6.0
227.12738	15.9
243.21095	4.0
245.13846	41.2
257.17386	1.8
261.22119	12.9
283.15372	7.5
301.16440	67.7
319.17514	13.6
335.25760	100.0
336.26151	3.9
451.32556	1.9
487.34259	3.6
543.36542	7.4
561.37720	57.2
579.38733	24.4
777.39276	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	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.05511	15.3
57.03422	14.7
67.05499	65.9
69.03417	4.0
69.07055	32.9
69.77490	2.1
71.02645	2.3
71.04980	4.7
71.53442	3.5
79.05482	53.6
81.03428	3.7
81.06588	5.2
81.07047	67.5
83.04969	7.9
83.08618	7.3
85.02883	2.7
85.06503	3.5
91.04891	3.7
91.05464	31.6
93.07032	75.9
95.04968	6.7
95.08601	51.6
97.02902	3.3
97.06513	12.5
97.10155	6.7
105.07027	22.0
107.04900	11.3
107.08576	36.1
109.06525	4.0
109.10140	14.7
111.04439	9.0
111.11710	8.9
117.07025	9.3
119.08568	25.5
121.06504	4.3
121.10125	77.7
123.08108	3.7
123.11691	5.8
125.06008	7.9
125.09623	3.1
129.07001	3.1
131.08568	19.7
133.06459	2.5
133.10129	11.0
135.11673	30.8
137.09630	2.7
139.11160	31.5
143.08582	3.0
145.10097	27.6
147.11667	5.8
149.09587	8.6
149.13283	3.5
153.12769	3.8
161.13260	2.5
163.11156	30.2
167.10603	3.0
173.09619	6.3
173.13216	3.5
181.12209	5.9
184.07359	3.2
185.11717	8.5
191.10678	6.9
203.12741	5.5
209.11757	7.8
227.12735	22.0
245.11349	3.0
245.13823	59.1
252.67384	2.4
261.22153	12.8
265.14407	2.8
283.15378	6.6
290.80157	2.3
301.12921	4.2
301.16406	86.2
319.17480	26.4
335.25760	100.0
375.38571	2.4
423.73618	2.3
434.68500	2.8
447.12027	2.4
487.34433	5.4
543.36493	5.9
561.37683	57.8
579.38812	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.05503	38.9
55.12165	1.6
57.03422	17.9
57.07073	2.1
59.04999	3.7
61.02927	3.7
65.03922	4.0
66.91876	1.9
67.05494	100.0
67.49393	1.9
69.03432	3.6
69.07068	14.4
69.32745	18.4
71.01365	2.0
71.04995	6.2
73.02917	2.1
73.14175	2.0
76.21415	1.7
79.05482	52.2
81.03436	5.6
81.07045	64.1
82.23393	1.9
83.04989	5.9
83.08596	17.1
85.02905	19.9
85.06551	4.5
87.04482	7.6
91.03976	2.2
91.05473	26.5
93.07035	47.9
94.40356	2.0
95.04977	7.1
95.08598	45.8
95.09184	3.5
97.02885	3.7
97.06547	5.3
97.10147	25.1
98.21474	3.0
103.03933	2.1
105.07006	17.6
107.04930	2.2
107.08581	31.0
109.06535	2.2
109.10143	72.6
111.08052	4.1
117.07019	7.8
119.08540	14.7
121.10123	22.0
123.11689	4.6
125.09608	23.3
129.07005	2.9
131.08556	11.8
133.10092	13.2
135.11656	16.0
137.09615	5.2
139.11140	2.1
143.10692	4.2
145.10098	11.0
147.11719	7.0
149.13284	5.3
155.10666	2.8
157.10152	2.4
159.11700	5.5
161.13258	3.7
163.11115	4.6
163.14830	3.1
163.45467	2.3
171.11710	2.0
172.19980	2.1
173.11732	17.0
175.11209	2.0
175.14842	2.7
184.07326	10.2
187.14883	3.2
189.11331	2.2
193.12221	2.8
199.13258	13.1
209.11652	2.5
227.12825	9.6
229.14328	52.6
243.21083	3.4
245.13847	2.8
248.82538	2.1
254.49004	2.3
261.22177	15.1
267.16003	3.6
289.21765	2.4
301.16388	18.6
317.24655	3.9
335.25751	72.1
389.27029	2.1
477.35507	10.4
489.35587	13.7
489.56308	2.3
543.37073	2.9
561.37695	8.0
756.98712	2.1
770.71698	2.3
777.37225	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	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05506	42.9
55.49577	1.1
57.02256	1.0
57.03429	17.2
57.07069	2.3
59.04993	2.5
60.51649	1.2
61.02913	4.6
65.03934	4.3
65.63438	1.1
67.05497	100.0
69.03410	4.8
69.07059	17.4
71.01351	1.9
71.04979	4.4
71.13694	1.0
71.14038	2.0
73.02910	1.8
79.05485	52.3
81.03410	6.9
81.07047	64.4
82.07375	1.3
83.04967	7.0
83.08604	16.3
85.02890	14.5
85.06526	3.0
87.04453	4.6
91.03941	1.5
91.05468	30.0
93.07034	51.7
95.04954	6.8
95.08596	46.2
97.02873	5.8
97.06516	5.4
97.10158	20.0
99.08068	1.2
104.58655	1.1
105.07018	21.5
107.04953	2.9
107.08578	27.8
108.08987	1.2
109.06499	3.4
109.10144	50.2
111.04466	1.6
111.08080	4.9
117.06985	6.8
119.08572	16.3
121.06528	2.0
121.10136	19.1
123.08058	3.2
123.11706	5.0
125.09611	19.0
129.06992	2.4
131.08556	10.6
133.10100	10.3
135.07990	1.1
135.11685	13.5
137.09583	3.2
138.92818	1.0
139.11139	2.7
143.08594	2.1
143.10698	3.1
144.56995	1.0
145.10109	10.2
147.08124	1.2
147.11700	7.7
149.09650	1.6
149.13243	4.7
151.11159	1.5
155.04620	1.0
155.08588	1.4
155.10606	2.7
157.10143	2.0
159.11674	6.5
161.13261	4.6
163.11205	5.1
163.14760	1.4
171.11783	1.5
173.09477	1.9
173.11734	12.9
173.13271	4.6
175.14816	2.9
177.12706	1.1
177.16360	1.7
179.14336	1.1
181.12221	2.6
184.07347	2.1
185.13251	1.5
186.62476	1.2
187.14798	2.5
189.11194	2.4
189.16698	1.1
191.10735	3.1
193.12215	1.6
199.13264	7.5
201.16328	1.6
206.04045	1.1
207.09961	1.3
209.11790	4.0
217.14279	1.4
227.12767	6.7
229.14304	37.1
243.21054	4.7
245.13669	2.4
259.20547	1.8
261.22104	16.2
267.15775	2.6
271.20770	1.0
283.15381	1.7
289.21518	1.2
299.14880	1.9
301.16415	18.6
317.24918	2.5
327.23300	1.8
335.25769	77.7
336.26242	3.7
363.25168	1.8
459.34555	1.5
469.33072	1.3
469.92151	1.2
477.35672	9.1
489.35822	18.0
516.90277	1.2
543.36682	6.2
561.37634	12.8
579.38690	2.2
631.40076	1.5
776.40863	1.9
777.41827	3.9
805.82642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.6
55.05505	41.0
57.03156	1.3
57.03432	20.1
57.07054	3.5
59.04988	4.0
59.16299	0.8
61.02909	4.3
65.03918	3.5
67.05497	100.0
68.05822	2.6
69.03428	4.5
69.07061	20.4
70.65539	2.4
71.01344	2.1
71.04991	5.4
73.02925	1.4
79.05484	47.3
80.05801	0.9
81.03409	6.2
81.07047	63.3
83.04971	4.9
83.08144	1.5
83.08613	19.1
84.43567	0.9
85.02891	17.0
85.06539	4.5
87.04468	8.6
90.43105	1.0
91.03937	1.2
91.05470	27.5
93.07035	45.0
94.07367	1.5
95.04961	6.4
95.08597	50.1
97.02875	4.5
97.06522	4.6
97.10154	21.8
103.03928	1.1
105.07017	15.7
107.04926	2.2
107.08581	34.2
107.09308	1.8
109.06502	2.1
109.10145	59.1
110.10488	1.2
111.04457	1.3
111.08068	3.9
115.05449	1.1
117.05762	0.9
117.07009	8.1
118.07308	1.1
119.08566	17.5
121.06487	1.4
121.09341	1.6
121.10136	24.3
123.08035	2.5
123.11684	5.3
125.05952	0.9
125.09614	21.8
127.03908	1.1
129.06953	2.5
131.08557	14.0
133.10114	11.3
135.07990	0.9
135.11670	14.6
137.09622	4.0
137.13264	2.1
139.11174	2.3
143.08507	1.8
143.10695	5.0
145.10101	11.4
147.07988	1.2
147.11705	8.1
149.09547	2.0
149.13240	7.7
151.11139	2.0
153.12665	1.3
155.10632	1.6
157.10101	3.1
159.11682	6.6
161.09598	1.2
161.13252	6.2
163.11192	5.5
163.14764	2.1
167.10680	0.9
169.10110	1.0
171.11694	3.0
173.09601	1.7
173.10107	1.3
173.11711	17.9
173.13243	5.9
175.14760	2.6
177.16301	1.0
180.86540	1.0
181.12251	2.2
185.13216	1.2
187.14798	2.6
189.11101	2.1
191.10722	1.6
193.12207	2.5
198.80666	1.0
199.13274	10.3
199.14847	1.7
201.16385	1.3
209.11732	3.7
211.13202	2.0
217.14255	2.1
219.17459	1.2
227.12759	6.3
229.14316	51.1
230.14612	1.4
239.24072	0.9
241.19537	1.4
243.21042	5.1
245.13850	3.7
257.13800	1.0
259.20590	2.0
261.22104	18.6
262.22534	1.4
267.15900	3.2
277.21597	1.2
278.42688	0.9
283.15359	2.3
287.18185	0.9
289.21494	2.0
299.14694	1.8
299.23767	1.3
300.15112	2.2
301.16400	18.2
315.23083	2.2
317.24759	3.0
327.23047	1.3
335.25772	88.6
336.26062	7.1
351.25238	1.1
363.25150	2.0
389.26813	1.2
423.32471	1.0
451.31958	1.1
459.34610	1.4
477.35754	10.1
487.33493	1.1
489.35684	17.6
526.28741	1.0
543.36853	4.5
561.37726	11.5
579.38684	1.6
704.11725	1.0
777.40338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.8
55.05505	26.3
56.29926	2.7
57.03429	21.7
61.02911	4.5
63.13787	2.4
65.03919	2.8
65.30101	2.3
67.05494	64.7
69.03423	12.3
69.07059	26.6
71.04964	10.0
71.52877	4.1
73.02899	4.6
79.05479	61.4
80.03387	2.3
81.02930	3.9
81.03408	83.2
81.07043	100.0
83.04967	20.0
83.08617	35.0
83.11819	2.7
84.88187	2.6
85.02893	34.3
85.06526	6.6
87.39835	2.2
91.05469	67.9
93.07032	58.8
95.04959	41.6
95.08593	33.8
97.02866	7.6
97.06499	18.7
97.10140	10.2
99.04412	2.8
99.08089	3.7
105.07018	50.6
107.04926	12.8
107.08579	38.6
109.06487	10.8
109.10130	10.1
111.04418	4.7
111.08060	14.9
114.73044	2.7
117.06995	18.2
119.04928	3.5
119.08561	46.8
121.06494	7.2
121.10136	21.6
123.08003	7.7
123.11660	5.3
125.09586	4.9
127.03928	4.4
129.06989	18.0
131.08549	31.2
133.06488	4.5
133.10133	25.1
135.08000	3.6
135.11639	13.0
137.09543	4.8
141.06999	4.1
142.07729	5.7
145.06367	2.7
145.10072	16.0
147.07994	5.3
147.11676	23.7
149.09590	15.3
149.13235	11.4
151.11081	3.2
157.10136	21.8
159.11702	14.6
163.11185	9.0
165.12828	5.6
169.22484	2.4
173.13176	5.6
175.11163	18.5
177.12724	4.4
183.11702	4.5
184.07312	6.4
189.11220	3.3
193.12212	56.6
194.12616	3.9
195.13762	5.1
205.12312	2.6
211.13255	75.8
227.12663	4.2
239.17760	2.7
255.15813	13.8
257.16074	2.4
257.18973	11.5
267.15891	38.4
269.17453	45.3
275.20026	25.8
285.16916	75.6
286.17203	5.5
349.23755	25.2
443.27731	3.8
447.27133	8.9
461.28897	38.8
462.28708	3.7
465.28522	20.3
479.30008	89.1
480.30328	7.8
513.29767	3.0
541.35327	12.7
559.36194	28.1
577.36871	5.1
623.33966	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.3
55.05506	39.4
57.03430	26.4
59.04986	3.1
61.02915	3.3
65.03919	5.8
67.05496	81.6
69.03420	14.9
69.06733	3.3
69.07058	37.6
70.48165	8.4
71.04987	11.7
73.02901	2.5
77.90293	2.5
79.05482	84.8
81.03406	88.4
81.07043	100.0
81.07526	5.4
83.04971	33.7
83.08611	50.9
85.02892	39.5
85.06516	9.9
91.05466	85.2
92.05813	2.5
93.07034	67.5
95.04956	47.3
95.08592	40.6
97.02876	9.4
97.06515	22.3
97.10148	16.4
99.04399	3.7
99.08054	3.5
103.05412	3.9
105.07020	56.5
106.07375	2.5
107.04949	24.2
107.08582	45.6
109.06507	13.8
109.10149	15.8
110.98717	2.1
111.04436	6.9
111.08057	20.4
115.05450	3.9
117.07011	18.7
119.04895	5.0
119.08563	52.8
119.35660	2.3
121.06495	8.8
121.10128	27.7
123.08029	7.4
123.11685	8.0
124.99939	2.6
125.09602	19.0
127.03889	5.6
128.06227	2.8
129.06998	18.2
131.08543	30.3
133.06430	7.2
133.10129	40.9
135.08025	6.9
135.11678	18.4
137.09595	4.3
139.07530	2.5
142.07770	6.5
143.08521	5.6
145.10120	22.7
147.08032	6.3
147.11685	31.7
149.09612	25.5
149.13237	11.4
151.11133	2.6
153.09128	3.2
155.08501	4.5
157.10112	25.3
159.11676	17.5
161.13274	4.8
163.11128	14.0
165.12717	4.6
169.10127	4.2
171.11705	3.8
171.13763	3.5
173.09540	3.8
173.13223	5.7
175.11179	21.6
177.12724	6.7
179.14272	2.6
184.07321	7.5
185.13222	2.8
189.11163	9.5
193.12213	71.9
195.13789	7.2
211.13260	83.4
211.15297	4.0
227.12686	28.9
228.13101	4.7
239.18025	3.8
255.15749	12.7
257.18912	8.0
267.15863	34.8
269.17480	24.4
275.20044	39.4
285.16931	77.0
286.17349	3.3
331.22589	2.7
349.23709	40.7
350.23901	4.2
367.24594	3.8
447.27246	9.0
455.26093	6.2
461.28845	24.6
465.28458	20.0
479.23602	5.0
479.29996	75.4
480.30060	6.5
531.50244	2.6
541.35071	22.1
559.36218	57.1
560.36548	3.2
577.37128	9.1
618.37103	2.7
775.37970	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	2.2
55.05458	8.8
57.03379	9.5
57.07030	1.4
61.02862	2.3
61.36105	0.6
65.03883	2.0
66.02802	0.6
67.05498	42.9
67.05829	2.8
69.03367	2.2
69.07061	8.7
71.04984	3.4
73.02851	0.9
79.05485	23.1
81.03357	2.2
81.07047	37.3
81.07512	1.5
83.04972	4.4
83.08609	5.3
85.02861	1.6
85.06480	3.1
91.03884	1.2
91.05467	33.6
91.75049	0.7
93.07034	29.5
95.04953	7.4
95.08595	23.9
97.02842	1.7
97.06458	2.9
97.10097	2.7
98.21528	2.2
99.04414	1.6
99.08071	1.0
103.03893	1.3
105.07018	26.2
107.04925	1.3
107.08582	25.6
109.06451	2.1
109.10146	33.9
110.10465	1.0
111.08026	1.1
113.05978	3.3
117.07005	6.9
119.07834	1.0
119.08561	11.5
121.09351	0.8
121.10127	11.2
123.08025	1.9
123.11703	8.3
125.09550	1.5
127.07456	1.5
128.06157	0.9
131.08559	5.8
133.10114	67.8
134.10413	1.3
135.11659	6.4
137.09581	1.7
143.08554	6.5
145.10042	2.5
147.11646	3.5
149.13208	3.5
151.11165	30.8
159.11632	3.2
161.09602	15.9
161.13155	2.6
163.14778	2.5
169.12236	5.9
173.13196	3.0
177.16327	1.0
179.10646	14.4
187.14767	1.0
197.11754	4.2
197.13222	0.9
201.16426	0.8
215.12750	22.1
229.84106	0.7
229.86360	1.0
233.22682	0.7
243.21072	5.0
253.14319	21.1
261.13315	1.2
261.22119	15.1
267.15918	1.4
271.15359	7.0
279.23062	1.2
299.14877	8.0
317.15909	100.0
317.24097	5.0
318.16278	4.8
335.25766	96.9
336.26114	6.9
344.23264	0.8
353.26776	0.7
380.68808	0.8
457.33273	1.9
513.36127	2.0
528.68036	0.8
531.36835	6.4
545.38049	1.3
559.35950	0.9
577.37280	34.7
578.37726	4.4
595.38312	1.1
599.43170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.05503	9.7
57.03161	0.6
57.03427	10.9
57.07057	1.3
61.02909	2.3
65.03917	1.8
67.05496	51.6
69.03395	2.9
69.07058	10.0
69.29192	6.1
70.58876	0.6
71.01334	0.8
71.04979	3.0
72.95435	0.7
73.02898	0.7
74.09718	0.7
79.05484	23.8
81.03399	2.2
81.07045	45.7
82.07377	0.8
83.04982	4.2
83.08608	5.9
85.02906	3.2
85.06545	3.0
86.09673	1.8
91.05469	34.8
92.05826	1.0
93.07032	33.2
94.07377	1.1
95.04955	6.7
95.08595	28.3
97.02886	2.1
97.06513	3.2
97.10157	2.2
99.04460	1.3
103.03926	1.1
105.07017	25.1
107.04943	0.9
107.08576	26.9
109.06493	2.7
109.10142	34.1
111.08090	1.0
113.05994	2.0
117.06986	6.2
119.08558	11.3
121.10138	12.0
123.08036	1.4
123.11693	7.1
125.09634	0.8
127.03877	0.8
127.07537	1.2
128.06218	0.8
129.06950	1.1
131.08553	6.2
133.10107	56.1
134.10454	1.3
135.08026	1.1
135.11674	8.7
137.09589	1.6
137.13225	1.4
143.08534	4.7
145.10103	3.5
147.11632	4.2
149.13239	3.8
151.11160	26.0
151.12378	1.5
153.12654	0.8
159.11679	3.3
161.09593	14.1
161.13249	2.7
163.14835	2.2
169.12219	4.8
173.13249	3.0
175.14832	0.8
177.16335	0.8
179.10631	10.0
184.07318	2.9
187.14772	1.2
197.11728	2.8
215.12737	15.2
233.22722	0.7
243.21034	4.6
253.14313	15.2
254.21173	0.8
261.13281	0.7
261.22079	14.4
267.15939	0.8
271.15442	6.2
275.19754	0.9
277.21506	0.8
279.23206	1.5
299.14874	6.7
317.15903	58.6
317.24161	3.1
318.16333	1.9
335.25751	100.0
336.26068	5.1
363.25330	1.6
513.35797	1.1
527.37335	0.8
531.36780	6.9
559.36200	1.3
577.37280	33.7
578.37561	2.4
595.38617	1.3
775.44946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05506	7.7
57.03442	2.3
57.07059	0.5
57.29871	0.4
58.02860	0.4
59.62480	0.4
61.02918	4.8
65.03956	0.5
67.05496	7.4
67.27203	0.4
69.03414	3.3
69.07058	3.2
70.06579	0.4
70.30284	1.2
70.30637	0.8
71.01343	0.6
71.04981	0.9
73.02905	2.7
77.03918	0.4
79.05482	7.6
80.05009	1.1
81.03404	3.9
81.07047	8.4
82.06598	0.5
83.04978	1.5
83.08614	3.4
85.02889	6.0
91.03951	2.3
91.05461	5.9
93.07033	5.8
94.06572	3.1
95.04955	2.6
95.08587	2.8
97.02875	3.9
97.06516	0.9
97.10156	4.8
101.02351	0.5
103.05418	0.8
105.07015	4.7
106.06543	0.8
107.04939	12.2
107.08582	3.8
109.02853	0.6
109.06490	0.6
109.10158	1.5
111.08062	1.4
117.05737	0.6
117.07002	2.4
118.06544	1.3
119.04942	1.2
119.08569	2.8
120.08095	1.3
121.06483	3.2
121.10135	1.7
123.11713	0.7
125.09637	3.1
127.03925	0.7
129.06999	1.9
130.06509	1.6
130.07562	0.4
131.04959	1.0
131.07339	1.2
131.08578	2.3
132.08081	2.2
133.06488	2.3
133.10138	1.9
135.06786	0.4
135.08034	0.5
135.11646	0.8
143.08560	0.7
144.08084	1.8
145.06474	1.2
145.10110	1.3
146.05957	0.5
146.09634	0.6
147.04408	1.0
147.08031	1.2
147.11685	1.4
149.09592	1.1
149.13196	0.5
151.11159	0.6
155.08568	0.6
156.08101	0.5
157.06499	1.3
157.10129	1.4
158.09702	1.0
159.08028	0.8
159.11662	0.8
161.09599	0.5
169.10063	0.7
170.09579	0.6
171.08067	0.6
172.07588	0.9
175.11160	0.9
183.06696	0.7
184.07419	1.2
185.13243	0.4
189.11183	1.1
193.12280	1.6
195.08043	0.9
196.07552	2.8
197.08313	2.0
198.09091	2.7
200.10692	1.0
209.08322	1.0
210.09131	6.5
211.09900	1.9
211.13258	2.6
212.10680	6.7
214.12328	0.7
222.09151	2.3
223.09895	1.8
224.10678	6.0
225.11269	0.8
226.08563	0.7
226.12221	1.1
227.12683	1.0
228.17519	0.7
236.10672	2.8
237.11417	1.1
238.12250	2.3
244.17072	1.1
248.10742	1.1
250.12282	3.1
252.13861	1.3
256.16931	0.7
257.19061	1.6
260.10706	0.5
262.12338	1.3
264.13876	1.0
266.15381	0.6
267.15970	1.7
269.17438	1.1
271.35367	0.6
272.16473	0.7
274.18011	1.3
275.20135	1.6
285.16995	3.3
306.18475	1.3
320.20175	1.0
322.21677	0.9
334.18143	1.3
336.19534	0.7
348.19431	1.3
349.23828	1.1
350.21094	3.5
352.19095	1.4
364.19138	1.3
366.20627	2.0
368.21945	2.3
380.22202	1.1
382.20209	1.1
392.21960	0.7
396.25323	0.8
406.23889	0.6
408.25717	0.7
424.24820	0.6
426.26297	0.8
456.28876	0.9
461.29089	1.1
474.29868	2.1
479.29996	1.9
484.28247	1.2
485.80612	0.6
492.31015	0.6
500.29834	2.7
502.29355	7.1
503.30331	0.8
516.31409	0.5
520.30817	3.1
538.31464	0.8
541.35156	1.1
550.31537	1.5
557.67926	0.5
559.36212	3.0
576.33099	5.0
594.34174	100.0
595.34473	7.2
606.33990	0.7
612.35388	1.4
618.34302	4.3
636.35144	5.1
646.33209	0.5
660.34338	0.8
672.35016	0.8
684.34583	1.1
702.36285	1.5
720.37122	3.5
738.38629	2.5
739.39783	0.6
756.38538	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	774.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
55.05268	0.5
55.05502	6.2
57.03419	1.5
58.66810	0.3
61.02918	4.6
65.03938	0.5
65.64066	0.4
67.05495	6.1
69.03419	2.9
69.07055	2.5
70.60353	0.3
71.04982	0.6
73.02906	3.2
77.03920	0.5
79.05480	6.2
80.04991	1.1
81.02991	0.3
81.03404	2.5
81.07043	6.4
83.04937	0.6
83.08612	3.0
85.02892	3.9
91.03955	2.3
91.05464	4.3
93.07027	4.1
94.06564	2.8
95.04945	2.1
95.08598	1.8
97.02870	3.4
97.06505	0.7
97.10157	5.1
99.04447	0.5
101.02394	0.6
103.05482	0.6
105.04469	0.4
105.06999	3.4
106.06553	0.9
107.04941	12.3
107.08586	3.4
108.08086	0.7
109.06519	0.8
109.10117	1.9
111.08054	0.5
115.05463	0.7
117.05745	0.4
117.07001	1.4
117.56333	0.3
118.06525	1.0
119.04934	1.6
119.08572	1.1
120.04468	0.3
120.08073	0.7
121.06494	4.1
121.10154	1.1
125.09609	3.5
127.03952	0.8
129.06995	0.7
130.06494	1.5
131.04886	1.5
131.07324	0.9
131.08539	1.5
132.08066	2.0
133.06429	1.8
133.08856	0.4
133.10101	1.0
133.36345	0.3
134.05969	0.7
134.09622	0.5
135.06857	0.6
135.08011	1.0
135.11685	0.6
144.08066	2.1
145.06490	1.3
145.08847	1.0
145.10043	0.7
146.05992	0.6
146.09612	0.7
147.04401	1.4
147.07999	0.8
147.11673	0.6
149.09593	0.9
156.08066	0.5
157.06471	1.1
157.10045	0.8
158.09631	1.0
158.37439	0.3
159.06815	0.5
159.08052	0.7
159.11655	0.6
160.07599	1.1
170.09630	0.4
171.08022	0.5
172.07617	0.8
173.05995	0.5
175.11145	0.8
182.09647	0.4
183.06721	0.7
184.07455	1.3
184.11172	0.4
189.11131	0.7
193.12263	0.7
194.09659	0.5
195.07957	0.4
196.07529	3.2
196.42047	0.3
197.08273	1.7
198.09167	2.0
200.10678	0.4
200.14265	0.4
202.15848	0.3
202.48712	0.4
209.08328	1.0
210.09109	5.7
211.09854	1.5
212.10681	5.3
212.14153	0.5
214.12267	0.7
221.08296	0.4
222.09157	2.5
223.09758	1.9
224.10658	4.6
225.11255	0.4
226.12167	0.8
227.12703	1.4
228.17310	0.5
230.15376	0.8
234.09094	0.7
236.10646	2.3
237.11398	0.9
238.12238	3.1
240.13896	0.5
242.15361	0.6
244.16920	0.8
246.15132	0.5
248.10718	0.9
249.11526	0.6
250.12242	2.6
252.13695	0.9
256.16974	0.8
260.10489	0.4
260.16357	0.8
262.12286	1.1
264.13849	1.0
266.11481	0.4
267.15948	0.9
269.17480	0.5
272.16342	0.7
274.18130	1.2
275.20175	0.6
276.13760	0.6
285.16858	0.6
298.18100	0.5
306.18414	1.0
320.20053	1.2
322.21655	1.4
332.19998	0.7
334.18045	1.5
348.19678	1.3
349.23688	0.9
350.21027	4.8
350.24872	0.5
352.19019	1.4
360.93423	0.4
364.19174	0.9
366.20532	1.9
368.22104	1.9
378.20453	0.9
380.25906	0.4
382.19830	0.7
390.20654	1.2
392.22183	0.9
396.25589	0.6
398.27216	0.5
406.23749	0.7
414.26239	0.5
424.24835	0.4
426.26810	0.5
444.27554	0.7
446.30658	0.7
456.28830	1.0
461.29245	0.5
474.30124	2.7
479.29828	0.5
482.29630	0.6
484.28519	1.1
488.30350	0.6
492.31372	0.5
500.29901	1.9
502.29437	6.6
520.30774	3.2
538.31421	1.2
541.35309	0.8
550.31299	1.3
558.32477	0.6
559.36188	0.7
564.33197	0.5
576.33142	5.8
577.33313	0.4
594.34155	100.0
595.34442	6.6
606.33826	0.9
612.34851	1.2
618.34070	3.8
636.35248	6.0
637.35736	0.5
660.35046	1.5
684.35126	1.2
702.35889	1.4
720.25800	0.5
720.37225	3.3
721.37170	0.4
738.37891	2.3
756.39465	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	773.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.3
55.05508	32.6
57.03424	16.6
57.07054	8.4
58.58295	2.5
60.89445	2.8
61.02915	15.8
65.03925	4.2
65.86093	2.7
67.05498	81.0
69.03398	11.7
69.07059	25.4
71.02636	6.0
73.02911	8.2
79.05068	4.8
79.05484	61.4
81.03387	7.0
81.06589	5.6
81.07047	85.2
83.04932	2.5
83.08595	11.8
85.02904	14.7
85.06538	3.5
91.03931	7.6
91.05472	64.7
93.06481	5.0
93.07032	71.2
95.04951	13.0
95.08596	60.4
97.02871	11.4
97.06526	6.6
97.10152	5.9
105.07021	66.3
107.08575	40.6
109.06505	6.9
109.10155	24.4
117.07005	18.1
119.08572	43.8
121.10120	28.1
123.08076	4.0
123.11682	5.4
128.06238	3.2
129.07010	14.6
131.08560	36.2
133.10117	37.0
135.08078	4.5
135.11671	24.6
141.06981	3.6
143.08513	17.3
145.10107	37.5
147.11667	34.3
148.25830	2.8
149.09680	5.1
149.13225	11.4
155.08554	8.3
157.10117	14.9
159.11693	29.7
161.09566	3.4
161.13263	20.2
163.14813	6.1
169.10153	7.0
171.11679	17.1
173.13219	17.6
175.14819	9.3
181.10123	5.3
183.11581	8.0
185.09593	4.1
185.13211	18.2
187.14806	9.1
189.93675	2.7
197.13345	4.9
199.14766	9.9
201.16321	3.5
207.28899	3.1
209.13254	5.1
211.14769	8.7
213.16368	8.6
215.17912	3.7
237.16298	3.1
241.19472	16.1
257.18854	5.8
259.20529	35.3
261.21979	4.2
273.22018	4.4
291.20721	2.7
315.23166	5.8
333.24210	23.3
335.25754	47.6
367.22729	4.4
375.25046	3.6
441.26813	3.0
485.41333	3.2
519.29663	2.9
519.42255	5.1
537.42493	5.0
593.45166	8.0
609.44568	5.0
611.46606	100.0
701.47491	4.2
719.48444	3.5
773.51556	12.1
781.50909	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.05505	22.0
56.38042	1.6
57.03432	11.3
57.07066	3.0
61.02915	16.5
65.03932	3.6
65.62632	1.8
67.05498	65.0
67.61868	1.7
69.03419	9.2
69.07063	21.6
70.77866	4.1
71.04965	4.3
73.02905	6.7
79.05016	3.0
79.05481	57.7
81.03407	8.8
81.07047	76.4
83.04957	4.6
83.08616	13.4
85.02901	15.3
85.06535	3.4
91.03947	8.3
91.05468	45.9
93.07038	65.1
93.86855	1.7
95.04964	10.9
95.08598	52.5
97.02859	10.8
97.06507	3.8
97.10155	5.5
99.04443	2.4
105.07019	50.6
107.08575	32.5
109.06515	4.8
109.10148	17.2
111.08062	5.1
115.05460	3.2
117.07001	21.4
119.07694	2.8
119.08566	44.4
121.06522	2.8
121.10136	26.7
123.08004	4.0
123.11686	6.9
125.09604	3.1
127.03889	2.7
128.06226	3.2
129.06987	10.7
130.07732	4.1
131.08549	31.9
133.06427	2.2
133.10103	35.3
135.08018	2.2
135.11674	23.9
137.09547	2.5
137.13316	2.0
141.06964	4.0
142.07768	2.5
143.08548	14.5
145.06523	2.2
145.10104	30.4
147.11685	26.0
149.13242	13.2
155.08513	4.3
157.10132	16.1
159.08018	2.6
159.11682	25.9
161.09581	2.7
161.13216	18.3
162.62994	2.0
163.14812	6.6
167.08517	2.3
169.10120	10.0
171.11664	15.0
173.13222	19.4
175.14809	9.0
181.10110	4.6
183.08121	2.1
183.11659	7.4
184.07329	2.7
185.13210	15.3
187.14786	7.7
195.11659	5.3
197.13222	7.4
199.11183	2.2
199.13168	2.0
199.14769	9.4
201.12637	1.9
201.16312	2.6
203.14221	2.2
209.13321	2.8
211.14851	3.9
213.16389	4.5
215.17912	3.4
217.19611	2.2
223.14819	2.8
225.16318	3.9
231.17212	2.2
231.21005	3.1
239.17825	4.2
241.19505	15.5
243.21059	2.8
257.18939	5.1
259.20547	38.4
261.22177	5.8
271.20493	2.9
301.21478	3.0
313.21844	2.0
331.22797	3.0
333.24219	23.9
335.25766	51.7
336.26022	2.8
339.26663	2.3
343.22440	2.4
367.22687	4.0
403.24805	3.8
405.26477	2.1
519.41742	5.1
529.38409	2.1
530.33002	2.1
593.45721	11.1
609.44293	4.9
611.46655	100.0
612.46893	4.8
635.45898	2.5
701.47186	4.5
719.48627	6.0
737.49158	3.7
755.50525	5.1
773.52026	14.9
787.90533	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	773.2125
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01853	0.3
55.05504	0.2
57.03428	1.8
61.02920	0.6
68.99783	0.3
69.03420	1.3
70.06569	0.3
71.01308	0.2
71.04984	8.5
71.52686	0.2
73.02901	0.4
75.04459	0.4
81.03393	0.7
83.04953	0.6
85.02897	12.8
85.12188	0.2
87.04443	0.2
91.03947	0.2
97.02873	1.4
99.04451	0.2
109.02854	0.6
111.00787	0.8
111.04417	0.4
121.02851	0.9
123.04420	0.2
127.03938	1.0
129.05489	2.4
137.02318	2.9
137.03317	0.3
139.03845	0.2
145.04913	0.6
147.06488	0.5
149.02304	0.4
153.01819	3.0
163.03845	0.8
165.01799	1.6
166.02544	0.3
173.05984	0.3
181.04897	0.4
183.02892	0.7
187.03886	0.3
201.05403	1.2
219.02811	0.2
225.93123	0.2
227.49503	0.2
229.04935	3.2
247.05998	0.7
257.04395	2.3
274.04688	0.6
275.05411	0.4
285.03955	1.2
287.05481	0.8
302.04089	0.2
303.04947	100.0
304.05319	2.7
315.04962	0.3
345.06149	0.6
359.72647	0.2
396.73584	0.2
449.10983	0.3
465.10248	21.4
466.10452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01827	0.2
55.05479	0.2
57.03430	1.4
60.42646	0.1
61.02878	0.6
67.31907	0.1
68.99745	0.4
69.03410	1.1
70.65326	0.5
71.01340	0.2
71.04984	8.1
73.02872	0.3
75.04427	0.4
81.03362	0.6
83.04926	0.5
83.05412	0.1
85.02896	12.3
87.04443	0.2
91.03901	0.1
93.03356	0.2
95.04900	0.2
97.02877	1.0
99.04369	0.2
109.02858	0.7
111.00809	0.9
111.04391	0.3
118.72884	0.1
121.02820	0.6
127.03909	0.9
129.05464	2.2
137.01367	0.2
137.02316	2.7
145.04939	0.7
147.06453	0.5
149.02281	0.4
153.01808	2.8
155.04837	0.2
161.05894	0.2
163.03830	0.4
165.01825	1.7
173.05946	0.3
183.02843	0.6
187.03912	0.3
201.05437	1.2
219.06441	0.2
229.04944	3.5
247.05882	0.8
257.04379	2.4
258.04730	0.2
274.04855	0.8
285.03876	1.4
303.04944	100.0
304.05298	2.9
327.93283	0.1
338.10602	0.1
345.06049	0.4
411.07068	0.2
447.08731	0.2
465.10245	20.7
466.10382	0.9
665.86914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.7
55.05504	28.1
57.03432	15.4
57.99171	1.5
59.04976	2.4
61.02903	3.6
65.03925	4.0
67.05498	60.5
69.03416	12.3
69.07062	29.0
69.28284	10.9
69.28707	6.6
71.04977	6.6
79.05024	2.5
79.05479	47.5
81.02930	3.3
81.03406	51.0
81.07044	63.9
83.04972	21.0
83.08607	26.9
85.02902	19.7
85.06537	5.9
86.09704	3.9
91.05469	65.0
93.07030	38.0
95.04958	31.6
95.08595	27.4
96.04501	2.0
97.02874	10.8
97.06547	10.2
97.10145	12.3
105.07018	45.0
107.04950	9.8
107.08575	31.1
109.02875	2.1
109.05890	1.6
109.06508	10.7
109.10139	34.9
111.04440	4.5
111.08102	10.6
113.05974	4.2
115.05451	2.8
117.06987	9.2
119.04941	1.7
119.07806	2.9
119.08570	30.0
121.06497	7.4
121.10123	14.5
123.08058	4.8
123.11685	6.7
125.09618	7.3
127.07592	2.1
128.06221	3.0
129.06981	13.6
131.08554	20.4
133.06482	6.7
133.10120	45.7
135.08022	5.8
135.11671	6.7
137.09608	4.6
142.07825	3.2
143.08551	7.5
145.10078	9.1
147.08046	7.3
147.11662	16.9
149.09605	11.3
149.13275	3.7
151.11151	19.1
157.10158	12.4
159.07956	2.1
159.11707	5.8
161.09613	7.3
163.11162	6.0
165.09137	2.3
165.12801	4.8
169.10107	3.1
169.12219	4.7
171.11674	4.3
175.11153	14.5
177.12704	2.1
183.11736	2.3
184.07349	3.6
189.11217	2.9
193.12215	33.0
211.13248	59.4
223.13251	11.5
227.12791	6.7
227.17923	2.0
227.28723	1.9
232.85564	1.8
245.19064	3.8
249.14671	3.8
251.12709	3.3
253.14317	64.7
255.17329	2.0
263.20044	2.2
267.15854	22.3
273.18460	29.7
274.19019	2.0
275.20004	6.6
283.15326	5.4
285.16946	39.7
291.19492	79.7
292.19894	3.3
301.16574	2.4
309.20160	2.8
347.22186	6.1
349.23758	3.5
365.23145	58.6
366.23456	3.5
405.94025	2.2
445.25525	2.8
463.26898	10.3
477.28363	2.6
481.27979	4.5
495.29938	2.4
525.36035	3.0
539.33252	3.2
543.36511	5.3
557.34576	25.3
558.35669	2.2
575.35675	100.0
576.35394	4.7
593.36255	2.1
692.25928	1.8
698.57135	1.8
772.50677	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	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	9.4
55.05495	14.9
57.03428	7.1
59.04986	2.9
60.99886	2.6
67.05500	45.6
69.07069	17.1
69.07377	2.9
71.04984	5.1
71.52492	4.8
73.02904	4.1
79.05073	4.3
79.05492	45.5
80.77917	2.6
81.03406	11.3
81.07040	44.8
83.04945	5.1
83.08613	17.8
85.02890	3.4
89.06726	3.0
91.05467	38.2
93.07044	60.9
95.03667	2.5
95.04414	2.9
95.04966	17.4
95.08601	54.2
95.76190	2.6
97.02883	4.2
97.06514	12.0
97.10117	3.2
99.04417	5.1
105.07015	22.4
107.04935	15.5
107.08587	44.1
109.06480	8.0
109.10134	9.8
111.08081	5.7
117.07034	17.5
119.08585	20.6
121.06487	6.9
121.10099	19.3
125.05968	3.2
129.07024	6.1
130.07779	3.3
131.08580	8.9
133.10129	14.0
135.08080	5.4
135.10704	4.0
135.11673	52.3
145.10103	31.7
147.04330	4.0
147.11696	4.1
149.09599	6.8
149.13239	6.6
157.10066	5.4
159.11653	6.4
163.11168	63.7
179.14223	4.3
181.12209	12.0
184.07373	4.6
186.38123	3.2
193.12245	3.5
204.87842	2.8
227.12762	90.4
239.17955	4.6
253.14287	4.0
255.15843	9.5
257.19095	5.5
267.15771	3.6
269.17496	29.9
273.18469	3.9
275.20038	14.4
283.15350	76.8
285.17047	3.3
291.19717	3.4
308.10541	2.7
349.23746	24.7
367.24689	5.0
463.26831	20.7
477.28445	100.0
478.28632	4.5
557.34570	28.2
575.35370	10.0
596.76215	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	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
55.05508	10.5
57.03416	4.2
57.07050	1.8
59.04952	1.0
61.02921	13.2
65.03928	1.3
67.05493	23.5
69.03427	9.4
69.07066	8.8
69.31184	4.6
69.31616	5.0
71.01340	1.5
71.04992	1.6
73.02901	7.9
79.05478	11.3
81.03387	4.8
81.06592	1.5
81.07047	19.4
83.04973	1.9
83.08605	5.1
85.02897	12.0
91.03947	8.2
91.05476	15.2
93.07030	16.4
95.04956	3.0
95.08591	18.4
95.43864	1.1
97.02881	10.1
97.06496	2.3
97.10132	3.1
99.08064	1.2
101.02378	1.9
105.07016	13.7
107.04913	1.7
107.08582	10.0
109.10152	7.5
111.08059	1.3
117.07005	7.1
119.08563	12.0
121.10104	8.0
125.68504	1.0
127.03910	4.0
128.06201	2.6
129.06996	8.4
131.08545	12.4
133.10129	8.4
135.11690	3.4
141.06969	5.5
142.07751	3.0
142.57280	1.0
143.08551	10.9
145.10118	10.5
147.11633	4.0
148.69867	1.2
153.06964	1.8
154.07796	1.9
155.08539	10.1
156.09366	1.2
157.10092	8.6
159.11650	7.4
161.09601	1.3
161.13258	2.6
166.07776	1.2
167.08557	4.5
169.10091	10.1
171.11658	7.5
173.13228	4.0
177.16536	1.1
179.08516	3.1
180.09274	1.4
181.10124	5.1
182.10867	1.3
183.11673	9.5
184.07321	1.7
185.13213	6.6
187.14775	3.3
189.16290	1.2
193.10129	2.6
195.11638	6.3
197.13184	9.1
199.14757	4.9
207.11656	3.6
209.13190	4.2
211.14751	4.3
213.16367	3.0
215.17949	1.0
219.11743	1.0
221.13174	3.1
223.14803	3.8
225.16258	2.6
227.18007	2.2
235.14735	1.9
237.16409	2.8
239.17938	2.2
241.19618	1.3
251.17883	1.5
267.21326	1.2
275.20044	1.4
276.20212	1.1
276.51428	1.1
286.85818	1.2
295.20404	1.5
304.26364	2.4
305.26624	2.5
335.25818	1.3
351.26987	1.3
379.29922	1.3
445.28693	1.1
449.34225	1.4
464.37531	1.2
517.40649	5.3
527.37823	1.2
535.41443	2.3
539.37018	2.3
545.37994	1.5
591.44122	7.9
607.43909	1.5
609.45056	100.0
610.45441	7.2
753.49097	1.7
771.37921	1.7
771.50433	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	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05506	11.1
57.03428	3.7
57.07067	1.7
61.02920	16.1
65.03914	0.8
67.05498	23.2
69.03426	8.1
69.07063	10.6
71.01345	1.2
71.04964	1.8
73.02911	9.0
79.05483	16.3
81.03411	3.4
81.07045	21.5
83.04965	1.6
83.08611	6.5
85.02892	13.5
85.06528	0.8
91.03947	8.0
91.05466	13.5
93.07033	17.5
95.04964	2.8
95.08598	19.3
97.02291	1.0
97.02880	11.8
97.06525	2.4
97.10149	3.8
98.06026	0.7
98.21551	1.5
99.04430	1.1
99.08109	0.9
99.76943	0.6
101.02390	2.0
103.03951	0.7
103.05425	1.0
105.07017	14.0
107.04903	0.8
107.08571	9.4
109.02874	1.1
109.06506	1.2
109.10137	7.7
111.08088	1.4
115.03925	1.4
116.06078	0.6
117.07006	9.3
119.08572	13.0
121.10119	6.6
123.11693	2.0
125.09605	1.3
127.03901	2.9
128.06207	3.0
129.06990	9.2
131.08546	10.9
133.10121	8.9
135.08023	0.9
135.11667	3.7
137.09605	1.0
141.06985	4.2
142.07770	1.9
143.08562	9.8
145.10120	10.9
147.11655	5.3
149.09621	1.0
149.13248	1.9
153.07033	1.1
154.07809	0.8
155.08533	8.8
156.09291	1.8
157.10110	12.7
158.10854	1.0
159.11694	8.4
161.09622	0.9
161.13258	2.7
163.11192	0.7
163.14870	0.9
165.07043	1.2
166.07793	0.7
167.08556	5.2
168.09341	1.9
169.10101	10.2
170.10835	0.9
171.11661	11.7
173.13226	5.1
175.14812	2.0
178.98615	0.6
179.08595	1.9
180.09311	1.4
181.10114	6.6
182.10834	1.5
183.11679	9.2
184.07361	0.7
185.13258	7.2
187.14804	2.4
193.10115	3.5
194.10904	1.2
195.11685	7.0
197.09621	0.7
197.13225	8.6
199.13205	0.9
199.14847	5.4
201.16408	1.2
205.10263	1.1
207.11745	2.6
209.13234	6.0
211.14813	5.0
213.16403	2.6
219.11661	1.1
221.13193	2.1
222.13881	0.9
223.14807	3.8
225.16432	3.7
227.17989	2.2
229.19519	0.9
235.14748	1.9
237.16426	2.6
239.17921	3.0
241.19757	1.1
247.14867	1.1
249.16345	1.4
251.17990	2.3
257.19052	1.0
261.22537	0.7
263.18076	1.0
265.19556	1.3
267.21127	0.9
275.20172	1.1
277.19592	0.7
283.20612	0.9
295.20389	1.2
304.26453	2.2
305.26779	1.6
311.20081	0.7
321.22083	1.0
323.23706	1.2
335.25812	1.9
337.25345	0.9
339.23145	0.8
345.59854	0.6
349.25232	0.7
351.26859	0.9
377.28287	0.7
393.31430	0.8
417.31876	0.7
447.32480	1.4
449.33670	0.9
499.39679	1.1
515.37689	0.8
517.40240	5.0
527.37201	1.2
535.41272	2.4
538.22528	0.7
539.37213	2.4
541.38806	1.5
553.39685	0.9
554.97064	0.7
573.43262	1.1
591.43848	5.9
607.43311	1.7
609.45050	100.0
610.45386	7.4
611.46704	1.0
621.45007	1.1
633.44598	0.8
717.47058	0.9
735.48535	1.1
753.49243	2.2
771.50317	18.8
772.50171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05503	13.8
57.03419	3.9
57.07051	3.5
59.07838	1.5
61.02919	13.4
67.05497	27.4
69.03428	9.4
69.07055	10.8
71.04977	2.6
73.02906	8.3
79.05489	16.4
81.03388	4.2
81.07050	25.8
82.07357	1.8
83.08590	5.0
85.02887	9.9
91.03923	8.3
91.05467	14.3
93.07033	19.2
95.04956	2.2
95.08592	21.3
97.02863	8.3
97.06515	2.4
97.10157	3.2
99.04500	1.8
101.02380	2.1
105.07037	16.3
107.08578	8.6
108.02951	1.3
109.10151	9.1
111.04391	1.7
111.11682	1.8
117.07003	7.7
119.08565	14.5
121.10114	9.4
123.11678	3.2
124.67745	1.3
126.26698	1.4
127.03875	2.5
128.06223	1.9
129.06972	8.3
131.08546	13.8
133.10127	9.0
135.11684	2.7
141.06955	4.0
142.07776	1.9
143.08534	10.2
144.09241	1.5
145.10094	12.9
147.11653	5.3
153.06995	1.6
155.08488	9.0
157.10123	12.2
159.11690	8.7
161.13196	3.5
167.08492	2.6
169.10089	12.8
171.11749	7.4
173.13254	5.4
173.73286	1.5
175.14900	3.1
181.10110	8.0
183.11676	9.2
184.07352	2.1
184.86435	1.7
185.13216	6.1
187.14806	3.4
193.10164	2.3
195.11697	8.0
197.13240	8.4
199.14806	4.0
209.13281	6.1
211.14801	6.6
213.16403	3.2
219.11774	1.7
221.13220	3.9
223.14821	4.1
225.16438	2.1
235.14731	2.0
237.16368	3.1
239.17989	3.0
249.16238	1.5
263.17770	1.7
270.71790	1.3
304.26321	4.4
305.26627	3.7
337.25140	1.7
339.26688	2.2
363.26550	1.5
376.58035	1.4
393.31418	1.6
471.32376	1.5
517.40082	5.1
535.40973	1.7
553.38550	1.7
591.43921	5.7
609.45062	100.0
610.45026	4.7
612.43335	1.8
735.47473	1.9
771.50281	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	771.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05508	13.9
57.03428	5.6
57.07074	1.0
59.05003	1.1
61.02654	1.3
61.02927	15.6
65.03923	2.3
65.10088	1.0
67.05498	24.2
69.03424	9.5
69.07065	12.5
70.02361	3.4
70.02771	1.5
70.06457	1.0
70.98096	1.0
71.01333	1.3
71.04991	2.6
71.08627	1.1
73.02907	9.5
79.05065	1.8
79.05484	20.4
81.03416	8.1
81.06590	1.9
81.07044	26.1
83.04947	2.6
83.08602	6.0
85.02893	15.2
85.06543	2.3
87.04455	1.4
91.03944	8.1
91.05470	17.9
93.07030	18.2
95.04950	3.5
95.08598	23.1
97.02886	14.3
97.06519	2.9
97.10128	2.8
98.20852	1.3
99.04456	1.2
101.02357	2.2
101.05958	1.0
105.07021	18.4
107.04942	1.3
107.08586	13.5
109.02880	1.2
109.06509	2.1
109.10133	8.0
111.08048	1.8
115.05444	2.9
117.07001	9.6
119.08573	16.6
121.06535	1.1
121.10123	8.8
123.08047	2.4
123.11645	1.5
126.66622	1.1
127.03919	2.9
128.06192	3.4
129.06999	9.4
131.08542	13.7
133.10129	13.7
135.08055	2.5
135.11681	4.4
141.06989	5.2
142.07793	2.7
143.08563	12.8
145.06413	1.5
145.10100	14.0
147.11639	6.5
149.02336	1.1
149.09599	2.2
149.13242	2.0
153.06958	1.8
153.20503	1.0
155.08546	11.4
156.09338	1.4
157.10124	13.2
159.11671	11.0
161.13222	3.6
163.11192	1.0
165.06931	1.0
165.12744	1.5
167.08531	3.0
168.09293	1.3
169.06342	1.2
169.10085	13.4
171.11684	11.3
173.13210	6.2
175.14755	2.7
179.08519	2.7
181.10097	8.5
182.10840	1.1
183.11673	12.9
185.13258	8.1
187.14827	3.0
189.16367	2.4
193.10132	4.4
195.11694	6.6
196.12212	1.6
197.13234	9.5
199.14809	5.2
201.12823	1.2
201.16304	3.0
203.17920	1.0
207.11649	4.4
209.13243	6.8
211.14758	6.2
213.16364	4.5
216.14886	1.2
217.10010	1.4
219.11615	1.8
221.13185	2.7
223.14772	4.8
225.16350	4.4
227.17975	1.5
233.13023	1.5
235.14789	1.7
237.16344	3.6
239.17923	3.4
241.19644	1.6
247.14772	1.2
249.16322	1.4
251.17870	3.1
253.19629	1.1
257.18893	1.6
263.18088	1.5
265.19394	1.7
267.21115	1.6
289.19128	1.2
323.23505	2.1
325.21698	1.2
335.25787	3.0
337.25070	1.6
341.24622	1.2
351.26886	1.8
353.24905	1.2
363.26505	1.7
367.26123	1.4
465.32950	1.6
501.35745	1.3
517.40393	6.8
523.36932	1.3
527.37238	1.6
535.41260	4.4
539.37238	1.5
591.43988	6.5
607.43286	3.1
609.45087	100.0
610.45276	5.2
621.45020	2.1
651.45532	1.9
735.47913	1.8
753.49084	1.6
771.50275	23.6
772.49713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.1
55.05508	25.8
57.03428	15.9
57.07066	2.8
63.09192	2.0
65.03943	2.9
66.84909	2.1
67.05499	79.7
69.03413	7.5
69.06789	2.2
69.07066	24.5
69.96145	9.3
69.96571	5.1
71.04973	6.6
79.05485	77.0
81.03418	13.2
81.06590	4.9
81.07043	73.1
83.04987	16.7
83.08618	15.0
85.02908	4.4
85.06510	3.0
91.05470	72.1
93.07030	79.5
95.04961	20.2
95.08590	42.5
97.02882	5.3
97.06510	18.4
97.10152	6.8
99.04456	3.8
99.08069	3.2
103.05463	2.5
105.07010	54.7
105.07688	3.4
107.04969	11.9
107.08578	36.9
109.02904	3.8
109.06518	12.5
109.10152	17.9
109.10802	3.4
111.08059	4.8
115.05461	4.0
117.07001	18.0
119.08561	36.9
121.06506	8.1
121.10137	18.2
123.08065	7.8
125.09627	4.2
127.07540	2.7
129.07005	15.6
131.08545	14.8
133.10109	29.1
135.08052	8.1
135.11673	21.0
143.08574	10.0
145.10104	22.3
147.08031	2.9
147.11671	34.9
149.09578	9.5
149.13231	6.6
151.11194	8.9
157.10104	3.7
159.11696	11.9
161.09569	6.8
161.13226	10.7
163.11172	18.7
169.10164	3.3
171.11653	20.8
173.04515	3.4
173.09607	2.6
173.13197	4.0
177.12607	3.3
179.14368	3.6
181.12170	3.4
184.07271	2.7
187.11125	2.5
189.11259	3.2
189.12764	7.5
191.14383	2.2
195.13887	2.8
207.13730	20.9
225.14839	3.3
227.12755	26.0
239.17896	4.5
253.14357	20.0
255.15987	4.1
257.18976	9.2
267.15952	3.2
269.17395	11.5
273.18323	5.5
275.20084	26.0
281.17447	68.4
282.17700	4.0
283.15390	13.4
291.19409	4.6
347.22058	4.4
349.24023	11.4
365.23306	7.9
435.27118	4.0
459.30615	2.8
461.28979	33.5
475.30493	100.0
479.26129	7.6
549.75983	2.5
555.36914	30.8
573.33685	16.7
701.78363	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	766.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	1.7
55.05506	4.4
56.71673	0.4
57.03442	2.1
61.02928	2.8
65.03909	1.2
67.05499	14.2
68.63019	0.4
69.03393	1.4
69.07066	4.1
71.04967	1.1
73.02877	1.5
79.05490	10.9
80.04992	0.8
81.03387	1.7
81.07051	13.3
82.06567	4.4
83.04939	1.2
83.08569	1.8
84.04483	2.4
85.02895	2.3
85.06513	0.8
91.03909	2.0
91.05487	6.1
93.07037	9.8
94.06561	6.6
94.07148	0.8
95.04964	2.2
95.08594	7.8
96.04462	0.9
96.08100	1.6
97.02857	2.0
97.06493	1.0
97.10135	1.1
98.06049	3.8
98.20773	0.8
101.02360	0.7
105.07017	3.6
107.04978	0.6
107.08578	4.7
108.08064	1.9
109.10151	2.7
110.05319	0.5
110.06030	7.7
110.09698	2.5
112.07542	1.4
117.06993	1.4
119.08578	3.6
120.08088	0.6
121.10133	3.3
122.06007	3.0
122.09632	0.8
123.11654	0.7
124.07603	2.6
126.05496	3.9
126.09159	2.3
128.07088	0.6
129.06886	0.6
131.08507	1.7
133.10121	2.1
134.05995	1.0
135.08025	0.5
135.11684	2.4
136.07555	5.5
136.11206	0.6
138.09120	9.0
138.28117	0.5
145.10023	1.9
147.11641	0.9
149.09564	0.7
150.09126	1.4
152.07021	0.7
152.10645	0.8
154.08585	3.3
159.11642	0.7
161.13132	0.6
164.10692	1.1
166.12138	0.8
173.09605	0.5
178.12285	0.5
178.15880	0.7
180.13774	0.9
188.14400	0.7
190.12242	1.0
192.13954	0.8
206.15392	7.4
208.13254	1.5
210.14711	0.5
214.43936	0.5
216.13846	1.8
224.16447	5.3
234.14893	14.2
247.40730	0.5
250.14119	0.6
252.15926	100.0
253.16183	3.4
261.21939	0.6
270.16998	5.6
305.24637	0.7
308.18515	5.8
324.18076	0.7
325.18079	0.6
326.19598	49.6
327.19913	1.2
335.25781	6.4
336.26196	0.7
344.20651	15.6
353.22379	0.4
512.37140	0.7
519.29456	0.6
520.29449	0.8
584.07190	0.5
586.40973	23.8
587.41516	1.3
604.42017	59.0
605.42560	3.7
748.43042	0.5
766.44165	19.3
767.44415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.4
55.05507	6.1
57.03397	2.3
57.07038	0.6
61.02888	2.4
65.03925	1.3
67.05495	17.4
68.59131	0.5
69.03391	0.9
69.07060	3.9
70.06568	0.7
71.04945	1.1
71.52641	0.4
71.53036	0.7
72.04485	0.5
73.02888	1.1
79.05025	0.5
79.05482	13.7
80.04980	1.3
81.03372	1.5
81.07047	15.5
82.06142	0.5
82.06568	5.7
82.07347	0.6
83.04964	0.7
83.08565	1.7
83.71231	0.5
84.04507	3.3
85.02861	1.8
85.06511	0.7
91.03913	1.1
91.05465	7.7
93.06488	0.8
93.07030	13.4
94.06561	9.2
95.04953	2.7
95.07321	0.6
95.08594	9.5
96.04450	1.4
96.08078	1.6
97.02841	2.2
97.10121	0.8
98.06062	4.5
98.09680	0.8
99.04436	0.6
105.07011	4.8
106.06482	0.6
107.08585	5.8
108.04403	0.7
108.08109	2.4
109.06499	1.1
109.10139	3.3
110.06028	8.3
110.09635	2.0
110.10321	0.5
111.08076	0.7
112.07581	1.3
114.09130	0.9
117.06963	1.9
117.97497	0.6
119.08580	4.5
120.08116	0.8
120.36560	0.5
121.10138	4.5
122.05212	0.7
122.05988	4.1
122.09617	0.8
123.11646	0.6
124.07576	3.2
126.05517	4.5
126.09116	2.6
128.07031	1.3
131.08501	1.9
132.08061	0.8
132.17416	0.5
133.10081	2.2
134.05972	1.2
135.11674	2.5
136.07567	6.9
138.08154	0.9
138.09125	11.1
140.23969	0.6
142.08647	0.7
145.10107	2.8
147.11641	1.3
149.09547	0.6
149.13220	0.7
150.09076	2.1
152.06981	0.9
152.10683	0.6
154.08615	5.2
159.11684	0.8
161.13210	1.1
162.09068	0.6
162.12767	0.7
163.11121	0.7
164.10657	1.2
166.12253	1.0
178.15857	1.6
180.13789	1.2
188.10686	0.8
188.14351	0.9
190.12172	1.1
191.10579	0.6
192.13757	0.9
206.15378	9.1
208.13335	2.3
216.13763	1.6
224.16446	4.8
234.14874	18.7
250.14299	0.6
251.14627	0.6
252.15923	100.0
253.16277	2.5
270.16898	5.1
298.19894	1.2
305.24695	0.8
308.18509	6.0
316.21088	0.9
325.18420	0.6
326.19586	69.8
327.19968	2.2
335.22040	1.0
335.25769	10.7
336.26099	0.7
344.20639	33.3
452.45395	0.5
586.40967	36.8
587.41620	3.7
604.42004	76.4
605.42554	5.6
766.46387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
55.05496	1.2
57.03429	2.3
61.02702	0.5
61.02922	5.7
67.05495	5.2
69.03416	3.8
69.07050	1.8
71.01330	0.7
71.52661	0.7
71.53045	0.6
73.02914	4.1
79.05485	4.8
81.03400	3.7
81.07043	5.4
82.07397	0.7
82.26157	0.6
83.04953	0.8
83.08607	1.7
91.03938	4.4
91.05474	3.6
93.07024	4.4
95.04964	0.9
95.08576	3.9
97.02878	5.3
97.06515	0.8
99.04456	1.2
101.02357	1.5
103.03945	0.8
103.21640	0.6
105.07016	2.6
107.08582	1.9
109.02849	1.0
109.10150	1.5
111.08060	0.7
112.11208	0.5
119.08596	1.4
121.10146	3.2
123.11695	0.7
127.03895	2.5
131.08551	1.3
133.10092	1.4
135.11714	1.4
137.06892	0.7
145.04985	0.9
147.11694	1.3
149.09647	1.9
149.38081	0.6
157.10147	0.8
184.07295	0.8
185.04219	0.8
191.00072	0.7
193.12263	1.2
203.05348	0.7
243.08391	3.8
245.09456	0.7
251.12453	0.8
269.13666	2.5
335.25836	1.1
443.18854	6.3
469.20554	1.6
487.21478	4.6
519.29260	9.4
603.40247	0.7
662.74054	0.7
721.40558	1.5
747.42810	2.2
765.43823	100.0
766.43799	6.8
777.68506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.4
70.74858	1.0
79.05463	1.4
81.07050	1.4
91.05479	1.1
93.07069	1.1
95.08613	1.3
184.07379	1.4
290.23813	1.0
335.25977	1.1
535.26941	2.4
545.38873	1.2
546.38892	1.7
617.30914	1.0
694.03925	1.0
761.38605	100.0
762.38873	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	761.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	0.4
55.05507	1.1
57.03429	1.7
59.04993	1.4
61.02917	3.9
67.05500	3.3
67.05820	0.5
69.03419	2.9
69.07069	1.1
71.01342	0.7
71.04974	2.1
71.06919	0.6
71.07244	0.6
73.02905	3.2
79.05482	3.2
81.03419	5.0
81.07051	3.5
83.04982	0.9
83.08613	1.1
85.02899	4.3
85.06552	0.8
87.04472	1.4
91.03931	2.0
91.05468	5.0
93.07030	3.0
95.04948	2.6
95.08599	1.5
97.02882	3.5
97.06536	1.1
99.04456	0.9
99.08067	0.4
101.02378	2.0
103.03926	0.4
105.07001	3.3
107.08561	2.1
109.02897	0.8
109.06554	0.5
109.10150	0.4
111.08075	0.8
117.07072	0.6
119.04922	0.7
119.08593	2.0
119.24831	0.4
121.10129	2.1
127.03923	1.3
129.07031	1.0
131.08557	2.3
133.10152	2.0
147.04431	2.8
147.08073	0.6
147.11665	2.1
149.09599	3.2
157.10136	1.4
161.06044	0.5
175.04018	0.4
175.11198	1.1
185.04301	0.7
193.12228	2.4
197.15387	0.7
203.05333	0.5
207.06596	0.8
225.14925	1.5
243.08305	2.7
267.15823	2.1
283.06149	0.5
283.15100	6.3
288.05768	0.4
339.17783	2.0
341.14813	0.4
441.20990	0.5
449.97617	0.4
469.20456	1.0
471.03229	0.4
501.23019	26.6
502.23706	1.4
581.32477	0.5
583.61920	0.5
586.43445	0.4
599.33929	1.0
761.39172	100.0
762.39441	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	761.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01676	0.1
55.01866	1.6
57.03401	0.2
59.80151	0.1
63.02354	0.2
65.03928	1.5
65.38527	0.2
67.05486	0.5
70.46208	0.6
72.48581	0.2
79.05480	0.5
81.03403	0.3
85.02870	0.3
85.06445	0.1
85.57061	0.2
91.05470	13.3
91.42812	0.2
93.07033	0.3
93.67733	0.2
95.04948	1.0
103.05442	0.4
105.07069	0.4
107.04929	0.5
107.49364	0.2
107.80059	0.2
109.10196	0.2
111.04462	0.3
117.07028	0.3
118.04120	0.2
119.04928	28.4
120.05279	0.5
121.06474	0.4
123.04452	0.8
125.05977	0.3
133.02847	0.4
133.06456	0.3
135.04414	0.2
136.05200	0.3
137.05948	0.4
140.04712	0.4
145.06479	0.4
147.04390	100.0
148.04721	2.2
148.22278	0.2
149.05963	0.9
151.07515	0.8
153.05470	0.3
155.07031	0.7
161.05962	0.3
163.03876	0.3
163.07547	0.9
164.04643	0.6
165.05501	0.3
167.07016	0.7
171.06526	0.9
171.11816	0.2
173.05870	0.2
175.03891	0.3
177.05475	2.6
179.07016	1.9
181.04935	11.4
182.05208	0.3
182.91925	0.2
183.06438	0.4
184.07265	0.2
187.75880	0.2
189.05457	0.3
191.07019	2.5
192.07784	2.2
193.04939	0.3
205.05000	0.2
205.08514	0.8
207.06500	6.6
208.07201	0.4
209.08034	2.9
223.05943	0.4
225.07526	0.5
233.07935	0.2
238.60550	0.2
261.07443	0.2
277.06970	1.6
283.09665	0.3
325.10669	0.3
326.02042	0.2
337.10608	0.2
343.11627	0.2
353.10208	0.7
355.11746	0.3
369.13351	0.7
371.11221	23.7
372.11746	1.1
383.11328	0.4
397.12701	0.2
415.13916	0.4
432.55841	0.2
433.14993	0.2
485.14413	0.6
486.87549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.6
55.01864	3.5
55.05274	1.8
55.05504	22.8
57.03433	20.2
61.02915	1.7
65.03918	4.3
67.05497	70.5
69.03411	4.4
69.07056	17.4
69.47760	11.0
71.04983	4.0
76.41945	1.5
79.05479	48.5
81.03406	91.6
81.07045	68.8
83.04968	5.2
83.08607	22.1
84.11639	1.4
85.02892	3.1
85.06511	3.5
85.44300	1.6
86.09681	5.4
88.37179	1.8
91.05464	39.9
93.07036	52.0
95.04953	27.0
95.08592	43.9
97.02869	3.1
97.06505	6.9
97.10150	7.8
100.82898	1.6
105.06394	2.6
105.07023	31.9
107.04928	10.1
107.08576	29.0
109.06483	6.3
109.10147	20.6
111.04406	3.6
111.08059	8.4
115.05450	2.9
117.06999	9.9
119.08572	24.6
121.06519	4.2
121.10130	27.3
123.08043	2.5
123.11682	8.2
124.99944	4.0
125.09602	5.7
128.06151	2.1
129.06993	10.7
131.08559	21.0
133.06497	2.5
133.10107	14.9
135.07983	2.3
135.11647	13.5
137.09662	2.1
137.13185	2.6
139.11198	2.0
142.07718	2.6
143.08516	3.6
145.10103	12.6
147.08040	5.5
147.11668	16.3
149.09573	5.9
149.13249	7.3
157.10098	10.6
159.11679	6.9
161.13261	7.9
163.14828	3.0
165.12711	2.3
171.11664	2.4
173.13229	6.3
175.11157	9.0
175.14746	2.6
184.07318	15.5
187.14749	4.6
188.58473	1.7
189.11211	4.9
193.12247	22.4
201.16327	2.4
227.12683	6.7
235.13196	2.7
243.21092	5.2
247.17046	2.3
249.14862	2.7
261.22089	17.4
266.25467	1.8
267.15872	100.0
268.16324	2.8
301.25134	6.3
309.16922	2.8
317.24826	4.5
335.25763	96.7
336.25998	3.4
342.18219	1.7
412.35727	1.7
417.31595	2.0
421.25629	2.9
435.32657	5.1
453.33765	9.4
471.34607	5.5
527.37231	65.3
528.37811	3.7
528.45825	1.7
545.38336	46.0
546.38885	1.9
563.38934	3.5
569.38098	3.9
635.38989	2.5
760.43048	2.2
761.41125	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	759.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94230	0.9
54.74128	0.9
56.96551	9.1
70.87077	2.2
71.95237	1.0
84.96021	6.3
85.02885	1.9
98.97572	59.6
110.97552	19.7
112.67976	0.9
116.98615	26.6
124.99154	1.0
128.98596	31.2
131.00128	1.8
134.99658	8.4
140.00150	1.0
140.98592	5.9
143.00157	12.9
146.99634	17.5
152.00230	1.2
152.98619	3.4
155.00108	1.1
158.99637	27.0
161.01201	11.5
163.03873	1.6
163.98036	1.0
165.00615	1.3
165.39702	1.1
170.99632	40.1
173.01207	1.4
177.00699	23.8
179.02226	1.0
182.99631	16.7
189.00691	45.3
195.01697	2.1
201.00690	62.9
202.00906	1.3
207.01764	5.0
212.02356	1.3
213.00684	3.6
219.01762	57.1
220.02051	1.6
224.02190	1.5
231.01756	7.1
237.02797	27.5
237.05174	1.8
242.03287	1.7
243.01746	27.8
244.02122	1.0
249.33284	1.1
252.43129	1.1
254.99409	2.1
255.03831	1.3
261.02798	100.0
262.03168	2.8
273.00388	2.6
273.02805	7.2
279.03845	61.5
284.04276	1.2
291.03873	14.5
291.47409	1.3
297.04825	1.4
302.05365	3.2
303.03995	1.7
309.04895	2.7
321.04901	36.2
333.04761	5.0
351.06000	9.8
363.06219	1.6
381.06982	17.7
399.08133	16.6
417.04672	87.5
418.04819	1.9
435.05820	14.4
436.06717	0.9
441.09128	94.2
442.09650	2.7
453.09195	2.9
458.07248	2.3
471.10162	2.5
479.02487	1.1
501.11261	8.8
543.12201	3.6
561.13245	1.7
664.33728	1.1
723.17871	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	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01862	4.9
55.05268	1.3
55.05504	17.4
57.03196	1.1
57.03433	11.5
57.07066	2.2
59.04968	1.4
61.02899	3.6
65.03912	2.7
67.05495	69.0
68.05834	1.4
69.03425	5.1
69.07063	26.5
70.42976	2.6
71.04984	5.3
71.08610	1.4
73.02891	1.9
77.03925	1.5
79.05482	48.5
79.63091	0.9
81.03413	9.9
81.07044	86.5
82.07366	1.7
83.04974	11.3
83.08611	15.7
85.02884	5.2
85.06519	4.8
86.09687	1.5
91.05462	36.7
93.07027	67.1
95.01389	1.0
95.04945	10.5
95.08591	30.3
97.02865	3.6
97.06512	14.7
97.10139	5.9
99.08065	4.4
103.05460	1.1
105.07014	25.3
107.04951	7.1
107.08578	38.8
109.02879	1.4
109.06539	5.6
109.09580	0.9
109.10146	9.9
111.08076	8.5
113.05992	1.7
117.07012	12.9
119.08560	15.4
121.06487	3.3
121.10121	21.8
123.08105	2.7
123.11684	3.9
124.99966	1.7
125.09595	2.5
127.03869	1.7
129.06966	3.4
131.08551	16.3
133.10109	22.3
135.08031	5.4
135.11656	12.2
137.09541	1.1
139.11169	2.2
141.06932	1.2
143.08493	2.3
145.06502	1.2
145.10106	10.1
147.11653	8.6
149.09596	9.1
149.13237	23.9
151.11165	2.6
155.08617	1.1
157.10101	3.1
159.11684	16.9
161.09555	2.1
161.13257	4.8
163.11148	4.7
165.12738	1.8
169.10153	1.1
171.11681	3.1
173.04443	1.7
173.13234	2.7
175.11136	2.2
177.12720	7.1
179.14354	1.8
181.09991	1.2
183.11642	2.6
184.07301	4.7
185.13358	1.6
189.11217	2.1
193.12202	2.1
195.13795	13.6
211.13219	1.9
213.14825	3.3
227.12708	4.0
229.14359	1.8
239.18047	1.1
251.16374	2.1
253.14378	2.2
255.15842	5.9
257.18945	5.9
259.20499	2.0
261.22125	1.3
267.15845	3.7
269.17441	73.3
270.17709	2.2
275.20035	17.1
276.20215	1.3
277.21347	1.0
285.16998	4.0
293.21005	2.1
331.22522	1.4
333.24179	1.8
335.25668	2.3
349.23703	15.9
350.23724	1.2
351.25021	1.5
367.24936	1.9
413.21884	1.6
423.27011	2.4
439.27197	1.4
449.28973	21.1
463.30475	100.0
464.30930	5.9
503.33136	1.3
525.34937	1.4
543.36682	28.8
544.37164	1.9
547.71442	1.0
561.37561	9.2
596.36499	1.8
607.35034	2.3
759.39221	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	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
55.01858	13.8
55.05502	27.9
57.03430	16.5
57.07072	2.7
59.04980	2.0
61.02911	5.7
63.04484	1.5
65.03606	1.5
65.03925	5.1
66.91759	1.4
67.05495	100.0
69.03414	5.9
69.07056	23.6
69.88219	7.3
71.01325	2.8
71.04984	6.6
71.08602	2.1
73.02892	1.7
79.05013	2.5
79.05484	62.1
81.03408	16.4
81.07046	82.6
82.07376	1.7
83.01327	1.9
83.04966	32.0
83.08622	13.2
85.02896	10.2
85.06516	4.0
86.09693	3.4
91.05468	42.3
92.05783	2.0
93.03418	1.6
93.07033	78.4
95.04963	17.3
95.08595	56.3
96.08858	1.9
97.02874	11.8
97.06512	13.3
97.10164	5.2
99.04436	5.6
99.08081	3.1
101.02364	1.8
105.06326	2.1
105.07018	31.3
107.04915	11.0
107.08583	46.3
108.08869	1.8
109.06485	8.7
109.10136	35.7
111.04422	44.2
111.08052	13.4
115.05424	2.5
117.06998	16.3
119.08569	30.7
121.06478	4.5
121.10126	39.3
123.08054	6.9
123.11710	7.7
125.06001	2.7
125.09615	3.5
129.07005	7.2
130.07764	1.9
131.08542	25.7
133.10106	17.5
135.08092	3.2
135.11664	42.4
137.20657	1.6
139.11154	2.8
142.07745	1.8
143.08540	5.3
145.06503	2.8
145.10106	35.8
147.08044	3.9
147.11649	11.6
149.09592	7.4
149.13243	7.4
153.12729	22.6
155.08549	4.9
157.10107	4.6
159.11697	8.1
161.09612	3.1
161.13232	4.3
163.11154	44.8
163.14798	2.9
171.07976	2.0
171.11726	4.1
173.09578	8.4
173.13245	5.6
179.10687	2.2
181.12219	29.9
184.07321	7.4
187.14896	2.1
191.10626	20.5
207.80980	1.6
209.11650	17.8
227.12746	36.7
243.21104	4.5
261.22076	14.4
273.22073	3.1
283.15375	57.4
284.15695	2.1
299.23730	3.1
301.16412	58.9
315.23007	2.6
317.24741	3.4
335.25739	63.6
336.26001	3.1
391.24417	3.0
426.69724	1.8
433.31149	3.7
451.31982	4.8
469.32941	5.4
487.33774	2.9
525.35779	8.1
538.05414	2.2
543.36731	47.5
561.37732	59.3
562.38342	3.1
602.34247	2.2
759.42450	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	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01862	6.2
55.05503	15.5
57.03429	13.3
57.07061	2.4
59.04985	0.8
61.02915	3.2
65.03915	3.0
67.05496	56.4
69.03400	2.8
69.03734	0.7
69.07058	16.9
70.56888	2.6
71.01338	1.6
71.04987	3.4
73.02911	1.3
77.03920	0.9
78.37405	0.6
79.05482	46.0
81.03410	9.2
81.07045	56.2
82.07360	0.8
83.01341	1.2
83.04974	14.5
83.08611	9.5
85.02898	5.4
85.06528	3.3
86.09662	0.7
89.02340	0.9
91.05469	25.2
93.07030	54.4
95.04959	7.9
95.08593	39.9
96.08968	0.7
97.02882	4.4
97.06516	9.2
97.10154	3.6
99.04443	4.1
99.08090	1.9
105.07016	15.1
107.04946	9.2
107.08576	30.9
107.09306	1.5
109.02893	0.9
109.06499	4.0
109.10141	19.4
111.04424	20.5
111.08057	7.6
111.11719	3.3
113.05985	1.3
115.05364	0.8
116.99519	0.7
117.06998	9.0
119.08566	17.9
119.34472	0.7
121.06544	4.1
121.10130	44.4
123.04420	0.9
123.08044	3.9
123.11709	4.2
125.05978	2.4
125.09604	3.1
129.05429	0.9
129.07001	2.5
130.07713	0.9
131.08548	15.9
133.10123	7.3
135.08037	1.6
135.11670	24.3
136.12045	0.7
137.09601	2.2
137.13260	0.8
139.07512	1.4
139.11154	11.1
143.08536	1.9
145.06441	1.5
145.10104	21.4
147.08040	1.9
147.11673	5.7
149.09610	3.8
149.13246	5.2
151.11143	0.8
153.12727	13.8
155.08533	2.8
157.10130	1.4
159.11668	4.6
161.13200	4.0
163.11165	33.0
163.14798	1.9
167.10588	1.1
171.11618	0.9
173.09657	4.8
173.13171	4.2
175.14815	2.0
181.10594	1.1
181.12218	20.9
183.11639	0.9
184.07419	1.4
185.11746	3.6
185.13232	0.9
187.14821	2.4
189.11191	1.0
191.10638	14.2
191.92812	0.7
203.12740	0.9
209.11681	13.1
209.13399	1.2
220.57780	0.7
227.12749	25.4
243.21158	3.0
243.66243	0.7
245.13826	21.4
245.16263	1.4
259.20572	1.1
261.22122	14.9
262.22348	0.9
265.14383	1.9
267.15875	1.5
273.22015	0.8
283.15372	37.7
284.15643	0.7
285.17261	0.8
299.23657	1.4
301.16415	79.7
302.16711	2.7
317.24750	4.2
333.24365	0.9
335.25760	100.0
336.26047	3.3
433.31052	1.1
451.31995	2.4
469.33118	2.0
487.34412	1.1
525.35583	3.0
543.36755	22.2
544.37085	1.1
561.37787	88.6
562.38123	5.7
574.30121	0.9
579.38776	1.1
756.21967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2174
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03921	0.4
53.84394	0.1
55.01862	0.3
55.05489	0.6
57.03196	0.2
57.03429	1.9
59.04980	0.2
61.02900	0.3
67.05483	0.2
68.99774	0.4
69.03418	1.8
69.43089	0.6
69.43516	0.6
69.79681	0.1
71.01331	0.2
71.04983	12.1
72.05315	0.2
73.02893	1.1
75.04461	0.9
81.03387	0.6
83.04504	0.2
83.04971	3.2
85.02894	17.6
87.04443	0.5
93.03380	0.2
95.04974	0.7
97.02875	1.4
99.04449	0.8
101.05968	0.2
104.21196	0.1
109.02842	0.7
111.00763	0.4
111.03720	0.2
111.04432	2.6
113.05975	0.3
117.05473	0.7
119.04885	0.2
121.02840	0.6
123.04390	0.4
124.54406	0.2
127.03888	1.1
129.05470	4.9
135.04401	0.3
137.02324	2.4
137.05962	0.3
139.03894	0.4
145.04919	0.5
145.06499	0.2
147.04411	0.1
147.06508	2.2
149.02301	0.2
153.01808	3.1
153.05453	0.7
161.05931	0.3
163.03876	0.6
163.05988	0.8
165.01790	1.4
171.06485	0.4
179.03343	0.3
183.02959	0.7
183.04257	0.2
187.03946	0.3
192.20065	0.2
201.05423	1.1
201.07359	0.3
205.05119	0.1
229.04939	2.9
230.05373	0.2
237.99002	0.2
239.09140	0.9
247.05875	0.4
257.04428	2.0
257.10168	0.3
261.13651	0.2
274.04733	0.5
275.11221	0.4
285.03815	0.9
287.05392	0.6
301.07043	0.3
303.04941	100.0
304.05298	3.2
315.04968	0.5
327.05042	0.2
329.06589	0.2
345.05960	1.5
369.06085	0.3
395.07370	0.2
396.01920	0.2
413.08563	0.6
431.09610	0.4
449.10745	1.4
465.10324	1.8
538.23657	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	756.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.0
53.03944	3.9
55.01854	2.9
55.05505	22.0
57.03433	11.4
57.07054	1.7
59.04982	1.8
61.02903	3.8
63.00434	0.8
65.03922	2.0
67.05497	45.5
69.03400	2.3
69.07062	10.7
69.23696	3.0
69.24115	5.9
71.01343	1.7
71.04969	2.4
73.02914	2.0
77.51732	0.9
79.05482	30.6
81.03399	5.9
81.07048	52.5
83.04961	3.1
83.08145	1.3
83.08607	15.5
85.02888	4.3
85.06532	1.2
86.09690	1.7
89.98571	0.8
91.03923	1.9
91.05467	30.8
93.07032	41.7
95.04953	6.6
95.08593	32.4
97.02851	5.8
97.06516	3.9
97.10152	3.3
99.00198	1.5
99.00805	20.2
99.08082	1.3
103.05432	1.7
105.07015	26.0
107.04935	7.0
107.08576	21.7
109.02854	12.7
109.06487	3.7
109.10141	16.7
111.04417	1.6
111.08044	4.7
115.03899	2.9
115.05370	0.8
117.07011	6.0
117.57131	1.0
119.08558	16.5
121.05666	1.2
121.06493	8.5
121.10137	15.0
123.04417	1.7
123.08066	3.4
123.11665	6.1
124.99953	1.4
125.09618	1.1
126.54462	0.8
127.03915	4.4
129.07021	1.1
131.08575	7.7
133.06496	1.0
133.10110	44.5
135.08011	1.8
135.11662	10.3
137.09583	2.3
137.13237	1.1
139.07516	3.3
143.08540	5.3
145.06476	1.0
145.10110	5.8
147.04337	1.0
147.07973	1.0
147.11691	4.2
149.13255	6.6
151.11160	10.0
157.10175	1.0
159.11650	4.2
161.08298	1.5
161.09595	20.1
161.13205	4.3
163.11122	1.6
163.14796	3.0
165.09094	1.4
165.89041	0.9
171.08006	4.7
173.13275	3.2
175.14781	1.7
175.81743	0.9
177.16376	1.4
179.10641	10.8
184.07312	7.4
187.14777	2.6
189.09077	10.3
197.11687	2.8
206.30736	0.8
207.10133	4.4
225.11200	16.9
243.12158	3.9
243.21104	6.2
261.19434	1.4
261.22104	16.7
277.21585	1.4
281.13879	4.0
287.23636	1.0
293.29050	0.9
298.61960	1.0
299.14850	100.0
300.15176	1.4
315.23163	2.0
317.24750	2.4
335.25751	73.6
336.25980	1.6
439.32452	0.9
449.30325	2.4
467.31516	3.5
485.32428	3.0
513.35693	1.9
531.36609	1.6
541.35364	4.9
559.36224	30.8
560.36639	1.2
577.36737	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	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.9
53.03935	3.9
55.01857	3.9
55.05503	24.0
57.03432	14.5
57.07058	2.4
58.39623	0.7
59.04994	3.7
61.02898	4.1
65.03929	2.4
67.05497	58.9
69.03424	4.1
69.07056	13.2
71.01337	1.7
71.04973	1.7
71.08060	1.7
71.08402	0.9
71.94807	0.7
73.02908	2.5
77.01717	0.7
79.05482	38.4
81.03396	4.7
81.07044	63.1
83.04970	4.2
83.08606	14.9
85.02904	4.3
85.06519	3.2
86.09692	2.3
91.03940	2.0
91.05464	33.8
93.07030	52.9
95.04949	6.7
95.08595	39.3
97.02879	7.1
97.06527	5.3
97.10159	3.6
99.00801	20.9
99.04411	1.5
99.08082	1.1
103.05437	1.6
105.04517	1.4
105.07020	27.7
107.04937	7.5
107.07870	1.7
107.08577	25.5
109.02869	12.4
109.06506	5.3
109.10146	20.5
111.08090	4.8
113.05945	0.9
115.03942	1.8
117.07009	6.2
119.04924	1.3
119.08560	17.7
119.09373	1.4
121.06490	8.3
121.10124	16.1
123.04389	2.0
123.08074	1.9
123.11693	6.9
125.09628	1.7
127.03903	3.4
128.06215	1.5
129.06992	2.4
131.08542	10.8
133.06502	2.2
133.10107	42.7
135.08063	1.3
135.11668	13.1
137.06035	0.8
137.09584	1.8
137.13217	1.9
139.07515	1.5
143.08543	7.6
145.06500	1.1
145.10101	7.2
147.07977	1.9
147.11679	5.2
149.09608	2.1
149.13252	6.2
151.11160	12.4
153.06940	0.9
155.22240	0.8
159.11688	5.8
160.02411	0.9
161.09601	18.8
161.13257	3.9
163.11163	1.3
163.14812	4.0
165.09047	1.5
171.08008	3.8
171.11697	1.2
173.13254	4.4
175.14839	1.8
177.16306	1.5
179.10637	10.2
184.07344	7.3
187.14819	2.6
189.09097	9.3
197.11710	2.5
201.16267	0.9
207.10155	3.3
210.81879	0.8
225.11182	15.5
227.12834	1.0
233.22556	1.1
243.12349	3.8
243.21045	6.1
261.22104	19.4
277.21667	1.3
279.23184	1.3
281.13791	5.0
299.14850	96.4
300.15317	1.5
315.23123	3.2
317.24756	4.2
335.25748	100.0
336.26205	1.9
413.28098	0.9
421.30978	1.8
439.32312	1.2
449.30585	1.8
467.31686	4.8
471.00024	0.9
485.32510	2.6
505.38419	1.2
513.35645	2.2
515.36627	1.0
531.36871	1.7
541.35071	10.0
559.36206	47.8
560.36469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01873	3.1
55.05276	0.9
55.05507	12.8
57.03204	0.6
57.03433	6.8
59.04991	0.6
62.08330	0.5
65.03934	1.0
67.05495	13.8
68.99828	0.6
69.03426	2.8
69.07056	3.5
70.12595	2.0
71.04997	2.8
79.05486	17.9
81.03411	38.9
81.07049	16.0
83.04951	4.0
83.08616	13.8
85.02885	1.1
85.06535	1.6
87.04366	0.6
91.05472	13.3
93.07042	12.9
95.04374	1.2
95.04955	16.0
95.08595	6.7
97.02901	1.1
97.06511	2.3
97.10157	11.8
99.08072	0.7
105.07014	9.6
107.04948	11.5
107.08577	9.6
109.05810	0.6
109.06512	7.9
109.10141	4.1
111.04420	2.2
111.08079	3.7
113.06011	0.5
115.05476	0.7
117.07001	4.0
119.04944	1.1
119.08563	8.5
121.06497	8.5
121.10138	5.9
122.08620	0.6
123.04404	1.0
123.08062	4.1
125.09616	12.9
129.06989	6.1
131.04878	1.4
131.08562	8.5
133.06461	3.1
133.10106	3.9
135.08044	5.0
135.11665	1.1
137.05952	0.7
137.09616	1.0
139.07550	0.8
139.11145	0.9
141.06970	1.8
142.07750	1.2
143.08528	1.9
145.06473	5.1
145.10083	3.8
147.04440	1.5
147.08006	3.8
147.11684	4.6
149.09589	4.8
153.09096	2.2
155.08609	1.2
157.06482	0.7
157.10080	4.9
159.08043	2.4
159.11674	2.3
161.06035	0.8
161.09590	1.3
163.11176	3.8
165.12779	0.9
167.10681	1.1
169.10149	1.1
171.08002	1.6
171.10201	1.2
171.11729	1.7
173.09622	1.1
173.13187	1.3
175.11180	6.9
177.12788	1.7
181.10091	0.9
183.07968	0.9
183.11719	0.9
185.09613	1.2
185.13219	1.1
187.11195	1.0
187.14835	1.2
189.11226	6.3
189.12733	1.5
191.10588	0.6
191.14276	0.9
193.12221	15.8
197.09596	1.3
197.13231	1.8
199.11198	1.7
201.12643	0.7
204.79568	0.6
205.12248	1.7
211.11192	0.9
213.12692	1.2
215.14262	2.1
217.12222	1.4
219.13826	2.5
223.11232	0.7
223.13255	1.1
225.12802	0.7
227.12794	2.0
231.13715	0.9
233.15373	3.9
235.11073	0.7
235.13341	1.3
237.12683	1.2
241.14273	0.9
247.17067	0.7
249.14908	1.3
255.13799	1.8
257.15402	0.7
259.13245	1.2
267.15884	36.1
268.16202	0.8
273.14761	5.0
291.15887	0.7
293.17413	1.2
321.22214	0.6
331.20828	0.9
339.23154	1.6
349.21628	4.2
357.24176	1.4
357.74048	0.6
367.22675	14.6
368.22794	1.2
385.23703	19.4
386.23874	1.1
403.24799	7.3
404.24911	0.7
405.24527	0.9
417.26193	0.7
441.26370	8.8
459.27380	100.0
460.27637	5.4
477.28439	87.3
478.28714	5.6
491.30066	11.7
491.36993	0.4
501.28394	2.0
509.31128	5.3
520.71881	0.8
541.33667	1.9
567.29333	2.2
660.43219	0.7
689.64502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
57.03418	0.7
61.02905	0.7
64.58424	0.3
69.03411	1.4
69.18530	1.2
69.18958	2.8
70.06580	0.7
71.04971	0.5
73.02894	0.7
77.96032	0.3
80.71167	0.3
81.03416	2.2
84.27020	0.3
85.02898	6.7
86.09689	0.3
97.02884	1.1
99.04449	3.3
103.03931	5.3
109.02863	3.2
127.03909	4.8
135.03455	0.4
135.04396	1.4
136.30193	0.3
137.02336	4.7
139.03871	0.5
145.04909	1.9
147.53560	0.3
153.01637	0.4
161.02278	0.8
163.03920	0.7
165.01833	1.7
167.03426	0.6
169.04938	0.4
171.02878	0.5
177.01723	0.6
179.03311	0.5
183.02873	1.4
187.03809	0.5
195.02861	1.9
203.03307	0.3
205.05148	0.4
217.05008	0.8
243.06439	0.7
247.08066	0.4
259.05875	1.6
271.06015	1.5
272.06732	2.7
283.06033	0.8
284.06668	0.6
286.04611	0.7
287.02228	0.5
287.05453	9.5
295.06262	0.6
299.01996	0.7
299.05460	16.5
300.06256	14.7
301.06918	2.2
311.05460	18.5
312.05771	0.7
313.06992	2.3
321.07809	0.5
323.05429	1.2
324.06183	0.9
325.07062	2.3
327.04965	0.9
327.08472	0.6
329.06516	100.0
330.06900	3.6
332.05072	0.4
339.04868	0.7
339.08640	1.7
341.06494	1.3
345.09616	0.5
349.06934	1.2
353.06531	13.5
354.06351	0.6
367.08035	0.9
371.07654	0.6
377.06534	2.2
383.07495	0.9
395.07666	4.7
413.08633	3.5
431.09772	5.3
449.10709	0.8
473.10477	0.8
491.11920	2.4
495.13028	0.5
513.13757	2.3
515.11737	0.5
539.11597	1.0
557.12976	4.6
575.13879	16.5
593.14935	12.4
594.15466	0.5
701.17084	0.4
744.89978	0.4
776.65894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.01854	0.2
55.05500	0.4
57.03420	0.7
68.00230	0.2
68.99793	0.2
69.03403	0.6
69.64503	0.9
69.64927	0.4
69.77302	0.2
70.06565	0.3
71.04958	0.3
73.02889	0.8
81.03410	1.8
83.04945	0.3
83.78017	0.2
84.08157	0.2
85.02370	0.3
85.02893	7.1
86.09706	0.2
89.03895	0.2
97.02894	0.7
98.20780	0.4
99.04441	4.2
103.03937	7.1
109.02862	3.6
121.02847	0.4
125.02411	0.2
127.02982	0.3
127.03909	4.9
135.04387	1.2
137.02325	5.9
137.03299	0.2
141.01820	0.4
143.03394	0.2
145.04953	2.1
147.04445	0.3
149.02336	0.5
151.72165	0.2
153.01793	0.5
161.02310	0.8
163.03874	0.6
163.05984	0.3
165.01801	2.0
165.05469	0.3
167.03378	0.7
169.04953	0.3
171.02985	0.4
177.01823	0.9
177.05426	0.3
179.03387	0.5
183.02908	1.0
187.03831	0.5
191.03360	0.6
195.02869	2.0
207.06447	0.2
213.05504	0.5
217.04918	0.6
219.02707	0.2
227.07040	0.3
229.04930	0.4
229.07002	0.3
237.49533	0.2
241.04938	0.4
243.02820	0.6
243.06563	0.5
244.07332	0.3
247.08168	0.7
259.05960	1.2
261.03906	0.6
269.04276	0.2
271.05994	1.8
271.69171	0.2
272.06744	2.9
283.06036	1.2
283.08942	0.3
284.06747	0.6
286.04681	0.8
287.05463	8.4
288.05698	0.2
295.05899	0.4
297.07529	0.5
299.05466	18.2
300.06241	17.4
301.06903	2.0
305.06265	0.4
311.05460	21.6
312.06003	0.6
313.07071	2.2
314.03995	0.2
321.07635	0.7
323.05475	1.6
324.06223	0.9
325.03244	0.5
325.06955	2.9
327.04996	1.2
329.06503	100.0
330.06882	3.6
332.05240	0.6
337.06982	0.3
339.04919	0.7
339.08640	1.7
341.06476	1.3
343.08057	0.2
349.06805	1.4
351.04996	0.5
353.06531	13.1
354.06772	0.4
357.06058	0.3
359.07492	0.8
365.06329	0.4
367.08130	1.0
371.07587	0.6
377.06540	2.2
383.07718	1.4
385.09286	0.2
395.07623	4.9
413.08633	4.7
431.09760	6.0
431.15756	0.4
432.09705	0.4
449.10681	2.4
455.09506	0.3
473.10965	1.4
491.11780	24.3
492.12125	1.1
495.12766	0.6
513.13947	2.1
515.11646	0.8
516.45776	0.2
521.11035	0.3
539.11798	1.2
543.24432	0.2
557.12878	4.6
558.13116	0.3
575.13910	15.3
576.13959	0.7
593.15027	2.9
611.15381	0.3
719.18201	0.6
737.19177	2.1
738.18945	0.3
755.19910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76708	0.8
55.01872	1.5
55.05505	7.9
57.03428	1.4
61.02901	2.6
65.03948	0.9
67.05505	6.6
69.03433	2.0
69.07057	3.2
70.18047	1.6
70.18443	2.4
71.04996	0.8
71.67364	0.8
73.02911	1.7
79.05490	8.2
80.05011	6.3
81.03420	7.7
81.07053	7.1
83.04948	1.0
83.08607	4.7
85.02884	3.8
91.03952	1.5
91.05460	6.0
93.07041	4.7
94.06551	4.5
95.04945	3.2
95.08580	2.2
97.02876	3.6
97.10150	7.9
105.07023	3.8
106.06532	2.9
106.07191	0.9
107.04948	1.5
107.08577	4.1
107.09258	0.9
108.08083	1.5
109.06528	1.2
109.10143	1.8
117.07014	2.0
118.06521	2.1
119.08574	3.3
120.08082	2.8
121.10119	1.7
122.06013	1.0
124.03864	1.2
125.09640	5.1
127.03922	1.0
130.06497	1.7
131.08542	3.2
132.04456	1.2
132.08063	3.4
134.06004	6.3
135.08031	2.0
136.07547	1.0
138.05522	1.1
143.08412	1.0
144.08041	2.3
145.02824	2.2
145.10100	1.5
146.05992	4.7
146.09601	2.0
147.04335	1.9
147.11655	1.3
148.07558	2.8
157.10097	1.5
160.07581	2.7
160.11250	1.2
164.07054	1.1
172.07565	1.2
174.05455	1.4
174.09106	1.6
174.12662	1.1
177.05443	3.2
178.04956	3.8
184.07587	1.4
186.09113	2.2
189.11212	2.1
192.06538	3.4
192.13824	1.9
193.12213	1.9
216.13861	2.2
218.08064	1.2
218.15382	1.5
227.12758	1.8
242.15379	1.5
244.13330	8.8
245.16409	1.0
246.14870	2.1
247.76886	1.0
256.17004	1.9
260.16705	1.2
262.14304	3.3
263.17444	2.8
266.15411	1.5
267.15894	2.7
268.16342	1.1
270.14847	1.4
282.15060	1.1
284.16364	8.9
286.14371	1.8
286.17538	1.9
300.15820	1.9
302.17404	4.7
307.16434	3.6
312.15735	1.3
319.20068	1.0
325.17532	1.7
327.11542	1.0
329.18576	1.4
347.19440	1.3
358.20129	1.1
384.25311	2.0
397.09479	1.2
408.25525	1.9
410.26889	1.0
421.93033	0.9
436.24600	5.9
454.25732	3.9
471.28561	1.1
472.27396	1.9
477.28833	1.1
478.28607	2.0
486.28174	1.4
499.27832	1.5
504.29437	1.6
510.28439	1.1
517.28961	1.2
528.29437	3.6
529.32935	1.4
545.31787	2.6
546.30499	1.8
547.33459	1.9
556.28809	3.8
563.32996	2.9
573.31549	24.4
574.30078	2.6
591.32715	100.0
592.32996	5.5
753.37579	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	753.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01869	2.7
55.05511	8.8
55.31978	0.7
57.03423	2.2
58.02987	0.7
59.85808	0.8
61.02921	4.9
67.05506	8.5
69.03419	2.5
69.07047	2.2
71.05009	1.3
71.52469	0.9
72.04507	1.2
73.02905	1.7
77.03962	0.9
79.05492	7.5
80.05003	6.1
81.03416	9.0
81.07050	7.7
81.23904	0.7
83.04966	2.0
83.08628	5.2
85.02911	4.1
85.06561	1.0
91.05467	7.1
93.07023	4.9
94.06554	5.5
95.04954	2.8
95.08587	3.6
97.02885	2.7
97.06556	1.0
97.10172	8.0
105.07022	5.2
106.06550	3.4
107.08582	6.5
108.08134	1.5
109.06532	0.9
109.10138	2.6
111.08080	1.1
117.07009	1.8
118.06539	2.7
119.08588	2.2
120.08076	3.5
121.10116	1.4
122.06011	2.0
124.03943	1.4
125.09637	5.6
127.03976	1.0
129.07013	1.6
130.06512	1.7
131.07222	1.3
131.08530	2.3
132.04420	2.4
132.08083	3.6
133.06493	0.9
133.10115	1.6
134.06020	6.8
134.09654	1.7
135.08038	2.0
144.08099	2.7
145.02867	2.4
145.06541	0.8
145.08937	0.9
145.10104	2.0
146.06006	4.7
146.09616	2.4
147.04417	2.7
147.11781	1.1
148.07549	3.4
149.09612	1.0
151.08713	0.8
156.08037	1.3
157.10106	1.2
158.06050	1.0
158.09631	2.0
160.07564	2.4
170.09587	1.2
171.10197	0.9
172.07536	2.9
174.05489	1.0
174.09111	1.5
174.12813	1.1
176.14362	1.0
176.24098	0.8
177.05449	3.9
178.04933	4.5
181.06427	0.9
184.07545	1.3
186.09161	1.6
189.11206	2.3
191.08170	1.2
192.06493	5.5
192.13799	1.1
193.12221	1.4
198.09161	0.9
198.12845	1.1
200.10661	1.1
216.13942	1.2
218.15393	1.0
226.12169	1.0
227.12733	1.4
230.15375	1.4
232.16966	1.3
242.15457	1.5
244.13292	8.3
245.16603	1.0
246.14793	2.4
256.16852	2.6
258.18597	1.3
260.16354	0.8
262.14407	4.8
263.17575	1.8
266.15302	1.2
267.15878	2.9
270.14938	1.8
284.16415	9.4
285.16882	1.0
286.14401	2.3
286.17825	0.9
302.17505	3.7
307.16638	4.1
308.16238	0.9
312.15897	1.8
319.20276	1.2
325.17490	1.7
376.21268	1.1
384.25165	1.6
390.24097	1.1
394.23978	1.0
408.25357	2.2
418.23468	1.5
426.26135	1.4
430.25558	1.0
436.24792	5.6
454.25781	3.9
460.27649	1.5
472.27039	1.2
477.28119	1.2
478.28494	1.6
486.27609	1.6
489.28683	0.8
499.27844	2.0
504.29205	2.8
510.28354	2.2
517.28723	1.3
520.33038	1.2
528.29449	3.5
545.31891	2.2
546.30536	2.5
547.33276	1.1
556.28888	3.2
563.33081	3.3
573.31628	24.6
574.30713	4.5
591.32703	100.0
592.32874	6.9
609.60089	0.8
615.32281	1.1
633.33252	1.3
730.55371	1.0
753.37671	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	748.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.6
55.01865	3.8
55.05495	4.9
57.03420	1.3
57.07070	13.7
58.49870	1.2
65.25395	1.0
67.05499	7.7
69.03387	1.2
69.07060	7.5
71.08617	9.1
71.53319	2.2
79.05473	5.1
81.03407	1.8
81.06593	1.7
81.07046	25.2
83.04960	2.2
83.08626	5.7
85.10166	5.6
91.05456	2.8
93.07051	6.5
95.08596	13.5
98.58647	1.2
105.07021	5.3
107.08576	5.8
109.06498	10.9
109.10131	4.3
111.04444	18.0
111.08091	1.4
116.80653	1.1
119.08562	4.3
120.07833	1.1
121.10139	3.2
123.08084	2.8
123.11734	2.6
123.92683	1.2
125.05949	4.4
130.91353	1.0
133.10094	4.6
135.08052	2.5
135.11662	3.2
137.05962	100.0
137.13200	2.7
138.06331	2.0
145.10054	1.9
147.11646	6.4
149.09612	2.3
151.07501	2.3
151.11157	2.1
157.10037	2.7
158.30977	1.1
161.09602	6.3
161.13263	2.9
163.11160	3.7
165.09123	2.4
167.10577	1.2
175.11183	6.4
179.10680	3.7
184.07301	1.8
193.12187	2.6
203.17862	6.4
213.16327	3.3
221.19034	1.3
231.17448	10.7
249.18465	8.5
260.63342	1.3
277.17953	44.9
282.27969	3.3
295.18976	16.9
313.27365	20.5
320.22046	7.3
351.21561	10.4
388.58908	1.2
394.87860	1.2
457.38745	1.3
471.61151	1.2
589.44543	95.1
590.44983	7.0
607.45691	17.5
730.45038	2.0
748.43811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01866	0.6
55.05508	1.6
56.01002	0.6
57.03436	2.2
57.07075	1.1
57.11239	0.5
61.02924	6.6
65.69592	0.5
66.91090	0.5
67.05503	6.8
69.03430	3.8
69.07075	1.5
69.24823	0.5
71.01356	0.4
71.04996	2.3
71.53236	1.0
73.02920	5.0
79.05498	4.3
81.03410	2.8
81.07053	5.5
83.04983	0.6
83.08601	1.6
85.02905	6.1
91.03952	4.7
91.05478	3.4
93.07024	4.5
95.04979	1.3
95.08620	4.3
97.02889	4.6
99.04453	1.5
101.02393	1.8
103.03948	0.7
105.07047	1.2
107.08606	2.9
109.02892	1.3
109.10140	2.8
119.08595	1.6
121.10163	2.1
127.03923	1.8
131.08559	0.9
131.35263	0.6
133.10188	0.8
135.11703	1.8
137.09622	1.3
145.10196	0.7
159.11719	0.6
173.13284	0.6
193.12306	0.9
211.73985	0.5
230.17975	0.6
243.08466	1.9
243.15889	0.6
253.14276	1.8
267.16110	0.9
313.27667	0.8
335.25919	0.8
388.91269	0.6
471.22000	4.0
505.39252	0.8
519.29175	8.7
635.11133	0.7
749.44379	100.0
750.44604	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	747.3764
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03930	0.8
55.05531	1.3
57.03429	1.7
60.06831	0.5
61.02926	3.9
61.23449	0.5
67.05509	3.0
69.03435	3.3
69.07056	1.3
70.06588	1.2
71.01344	0.5
71.04990	1.5
71.52956	1.1
72.08158	0.6
73.02901	2.6
79.05488	4.1
81.03413	6.1
81.07050	3.9
83.08602	1.2
85.02901	4.7
91.03962	2.5
91.05467	5.0
93.07025	3.4
95.04967	2.0
95.08582	1.3
97.02868	4.3
97.06527	1.6
99.04482	0.9
101.02392	1.3
105.07055	2.7
107.04943	0.9
107.08613	1.7
109.02887	1.8
111.08112	0.7
119.04943	0.6
119.08597	2.4
121.10148	3.7
123.08050	0.8
127.03918	2.5
129.07018	0.9
131.08565	2.5
133.06459	0.7
133.10129	1.2
137.05963	1.4
145.02901	0.8
145.10124	0.8
147.04398	1.4
147.11702	1.8
149.09615	3.0
151.03998	0.6
151.07520	0.6
157.10147	1.9
159.11827	0.6
163.03949	0.8
165.12941	0.6
171.07779	0.6
175.11203	0.9
177.05484	2.0
193.12306	2.3
237.16377	0.5
243.08432	3.0
251.12691	0.7
267.16058	1.2
269.13672	1.2
283.15228	3.9
287.05566	1.3
331.08237	1.7
339.17911	1.0
443.18918	5.8
469.20175	2.8
487.21442	6.7
501.23080	13.5
615.30768	0.5
703.35400	2.5
729.36523	1.2
747.37665	100.0
748.38245	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	746.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.5
55.01874	3.0
55.05509	13.6
57.03427	13.1
61.48844	2.4
61.73085	2.5
67.05499	68.8
69.03440	4.5
69.07057	14.2
71.52828	1.9
79.05483	40.5
81.07044	59.5
83.04951	5.6
83.08613	7.1
85.02907	2.9
85.06514	5.8
86.09694	9.0
87.49757	2.1
91.05470	51.2
93.07033	40.7
95.04971	6.0
95.08599	32.1
97.02859	2.9
97.06510	5.2
99.04443	3.6
105.07014	37.1
107.04935	2.2
107.08585	31.2
109.06522	4.7
109.10139	47.0
113.06018	3.1
117.07020	9.4
119.08568	18.2
121.10138	14.8
123.11711	12.2
125.00014	5.7
128.06238	3.9
131.01323	2.1
131.08583	8.4
131.99023	2.7
133.10115	95.9
135.08092	2.6
135.11644	11.4
137.13177	2.8
143.08537	6.9
145.10086	5.7
147.11658	5.7
149.13223	5.8
151.11165	40.2
155.10703	2.2
159.11649	5.2
161.09628	28.5
163.14838	3.5
169.12213	5.2
173.11690	6.6
173.13164	2.5
179.10677	18.4
184.07300	28.7
197.11662	7.6
197.97505	2.6
201.90276	2.4
215.12807	30.5
227.16463	5.3
243.21185	4.9
253.14323	31.3
261.22168	16.1
271.15399	58.6
271.18161	4.1
272.15805	2.8
279.23203	4.7
289.16440	71.2
317.24786	5.8
335.25778	100.0
336.26065	5.7
377.26837	3.1
423.31418	2.8
457.27383	2.6
463.13190	2.6
468.65521	2.4
531.36639	11.1
549.37787	97.1
550.38000	8.4
652.51563	2.7
685.04913	2.8
729.83679	2.4
746.41766	4.6
747.42737	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	746.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.7
55.01862	3.1
55.05504	14.5
56.65951	1.7
57.03197	1.8
57.03436	14.0
57.07087	2.7
58.42061	1.8
60.14162	2.0
65.03926	2.3
67.05498	73.9
69.03393	1.9
69.07065	17.4
69.28252	19.2
69.28919	1.4
71.04987	6.8
79.05063	3.1
79.05489	32.1
81.03393	2.8
81.07050	47.9
83.04968	7.5
83.08601	7.2
85.02905	3.2
85.06541	5.8
86.09683	5.7
91.05474	46.7
91.06019	3.5
93.07034	36.0
95.04964	8.9
95.08596	33.8
97.02865	2.9
97.06522	4.6
99.08105	2.4
105.07021	35.5
107.04987	2.1
107.08585	37.2
109.06526	4.9
109.10143	58.3
113.06008	2.4
117.07014	8.0
119.08572	19.1
121.10142	16.6
123.08038	2.9
123.11697	11.5
125.00009	4.0
131.08522	9.3
133.10110	100.0
134.10475	2.2
135.11668	12.5
137.09599	6.1
137.13264	2.1
143.08580	9.7
145.10088	6.3
146.17003	1.6
147.11641	4.6
149.13287	4.8
151.11160	41.7
159.11754	3.8
161.09599	28.8
161.13286	2.6
169.12250	6.4
173.11745	6.8
173.13194	3.7
177.16379	2.2
179.10654	22.5
184.07309	18.6
187.14888	2.2
197.11681	11.1
215.12769	34.7
227.16330	5.1
229.14357	3.0
243.21147	5.8
253.14342	16.0
261.22116	20.9
271.15408	52.3
279.23135	3.3
289.16418	86.8
313.61459	1.9
317.24835	3.3
335.25775	69.1
335.29938	3.3
336.26035	3.6
353.26971	2.3
439.31787	2.9
457.33017	2.0
531.36676	14.2
549.29895	3.6
549.37842	48.5
550.37915	2.9
567.38947	2.6
747.42017	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	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	0.8
55.05506	1.6
57.03431	1.7
61.02921	5.7
65.58800	0.3
67.05499	6.3
68.05827	0.3
69.03417	2.2
69.07059	1.9
70.71083	0.9
71.01337	0.5
71.04990	0.7
73.02915	4.6
79.05057	0.5
79.05489	5.1
80.00898	0.3
80.05820	0.4
81.03414	1.8
81.07050	6.6
83.04995	0.4
83.08617	1.1
85.02898	4.8
86.09695	0.9
87.04489	0.5
91.03955	4.3
91.05475	2.7
91.97198	0.3
93.07037	6.1
94.07393	0.4
95.04959	1.1
95.08595	5.2
97.02881	5.0
97.06537	0.6
97.10191	0.5
99.04449	1.1
101.02363	1.8
105.07005	1.7
107.04955	0.5
107.08610	2.6
109.02882	0.9
109.10149	1.2
115.03935	0.7
117.07030	0.9
119.08566	1.5
121.06567	0.3
121.10135	2.7
123.11742	0.4
124.99978	0.8
127.03899	1.7
131.08592	0.7
133.10127	1.2
135.11685	3.0
145.10103	1.5
147.11685	0.7
149.13272	0.4
159.11636	0.6
161.13280	0.3
163.11157	2.1
181.12227	0.4
184.07346	3.2
185.04271	0.8
185.07750	0.3
203.05241	0.5
220.76309	0.3
227.12732	1.5
243.08427	2.5
243.21170	0.3
249.10963	13.0
250.11633	0.3
305.13660	1.1
335.25864	0.8
336.26178	0.8
467.18881	4.9
504.37613	0.7
519.29272	8.3
520.29578	0.7
546.37982	0.3
548.39740	1.0
583.36127	0.4
745.41205	100.0
746.41449	11.5
746.54742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.3
57.03424	1.6
61.02924	4.7
67.05238	0.5
67.05512	5.6
69.03424	3.2
69.07063	1.6
73.02910	4.7
79.05492	3.5
81.03410	1.2
81.07040	5.5
83.04967	1.0
83.08608	1.2
83.90676	0.5
85.02901	5.2
86.95599	0.6
91.03961	3.5
91.05474	2.3
93.07030	6.1
95.04964	1.1
95.08603	4.9
97.02888	3.9
99.04444	1.0
101.02373	1.7
105.07016	2.0
107.04861	0.6
107.08572	2.9
109.10151	2.0
117.07027	1.2
119.08562	1.6
121.10137	2.2
127.03946	1.3
130.07823	0.6
131.08617	0.6
133.10075	0.9
135.11653	3.6
145.10123	1.3
147.11765	0.7
163.11145	5.0
181.12215	0.8
184.07274	0.8
185.04190	1.1
203.05215	0.8
218.37871	0.6
227.12813	4.4
243.08476	2.6
249.10936	9.9
250.11388	0.9
305.13623	1.9
321.04886	0.7
335.25589	0.7
467.18924	10.8
468.19116	0.9
519.29291	6.3
583.36407	0.8
620.54791	0.7
745.41205	100.0
746.41522	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	744.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01859	1.8
55.05503	16.4
57.03432	17.3
57.07052	2.0
61.02907	3.8
65.03899	2.8
67.05496	57.3
69.03413	8.6
69.07065	17.6
71.04981	3.0
71.52939	2.3
73.02897	1.9
75.09034	1.5
79.05483	55.7
79.53649	1.8
80.05789	1.4
81.03398	4.6
81.07046	53.5
83.04974	13.6
83.08617	5.2
85.02890	6.5
85.06513	2.7
87.04447	7.1
88.67446	1.5
91.05476	21.0
93.07036	66.8
95.04960	7.0
95.08595	39.0
97.02876	2.9
97.06511	4.6
97.10149	2.3
99.04462	1.9
99.08065	1.9
101.05988	2.3
105.07019	18.2
107.04977	2.8
107.08576	38.8
109.10149	13.4
115.03919	3.5
115.05510	1.5
116.06253	1.7
117.07011	9.1
119.08564	15.3
120.98158	1.8
121.10123	71.2
122.10480	2.7
123.08039	3.3
123.11710	6.5
125.09663	1.4
129.07033	2.4
131.08548	28.1
131.09514	2.0
133.06476	2.1
133.10126	8.5
135.08063	2.3
135.11676	7.8
139.11153	5.8
142.10471	1.6
145.10063	4.6
147.11662	5.2
149.09619	25.8
149.13258	4.8
151.11137	1.8
158.96931	1.6
159.08015	3.5
159.11642	3.9
161.13223	3.7
163.14821	3.0
167.10661	27.5
173.13205	5.0
177.09109	4.4
184.07321	5.4
185.11708	4.7
195.10156	6.8
201.37033	1.5
213.11317	2.4
241.14391	2.6
243.15788	2.2
243.21097	6.1
261.22186	16.6
269.13824	5.7
287.14853	100.0
288.15198	2.9
317.24707	4.0
335.25763	99.3
336.26181	3.3
337.27304	2.1
353.26666	2.0
411.93054	2.0
445.72379	1.6
468.88934	1.7
501.36322	2.0
503.36411	2.1
547.35974	28.3
565.37262	4.8
744.43689	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	744.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05499	14.9
57.03428	12.8
65.74685	3.8
67.05495	87.7
69.03443	3.8
69.07067	23.9
69.46627	3.0
71.04976	8.0
71.52879	4.8
71.53251	4.1
78.44974	3.5
79.05493	42.8
79.28522	3.5
81.03395	3.3
81.07047	100.0
83.04969	4.1
83.08614	11.3
85.06520	7.7
86.09715	17.7
91.05473	29.6
93.07034	60.7
95.04971	5.8
95.08599	42.4
95.57755	3.6
97.06513	9.3
98.98543	3.9
105.07019	14.8
107.08582	33.9
109.10146	23.5
111.08046	5.6
117.07005	8.4
119.08580	10.9
121.10146	24.3
123.11711	9.4
124.99981	14.8
128.56778	3.4
131.08565	17.9
133.10129	18.7
135.11632	18.7
145.10101	6.6
147.11617	5.7
149.13251	14.6
159.11667	10.1
177.12674	7.7
184.07309	57.7
186.38879	4.2
187.13306	5.9
222.40465	3.5
243.15959	23.2
248.69974	3.9
261.22198	5.9
269.17508	32.6
287.18420	27.2
332.90692	4.0
335.25717	56.2
336.26147	7.1
408.79468	3.4
503.37283	95.4
504.37250	5.9
529.38574	7.1
547.39935	41.7
744.42767	4.9
774.42328	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	743.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01860	0.3
65.03937	2.6
67.05493	1.2
69.03370	0.3
71.52559	0.3
72.92212	0.3
79.05480	4.0
81.07045	0.8
82.04153	0.3
85.02891	1.1
91.05470	22.3
92.05811	0.5
93.07014	0.4
94.04174	0.3
95.04961	1.2
95.08596	0.3
97.02895	0.4
97.06538	0.5
103.05488	0.5
105.03364	0.3
105.06979	0.3
107.04942	10.6
108.02029	0.3
108.05228	0.4
110.03643	0.4
111.04429	0.4
115.05443	0.7
117.06971	1.7
119.04926	43.1
120.05259	0.7
120.08121	0.3
121.02837	0.4
121.06480	0.4
121.10154	0.4
122.03625	0.3
123.04398	0.8
124.05183	1.7
125.05969	1.6
131.04893	0.4
137.05936	0.4
142.02541	0.6
145.02811	0.3
145.06462	4.6
147.04387	100.0
148.04733	2.7
149.06010	0.4
151.03787	0.3
152.04666	1.3
153.05565	0.3
155.04903	0.4
155.06033	0.5
167.07019	22.7
168.07339	0.7
171.06526	1.2
173.05945	2.7
177.05457	0.5
179.07002	0.3
181.04932	23.7
182.05151	0.4
183.04370	0.7
191.07001	0.4
201.03574	0.4
201.05428	5.7
203.07079	0.3
205.08568	3.0
207.06377	0.4
229.04936	1.9
233.05815	0.6
233.08052	7.8
234.08479	0.4
261.07553	7.0
280.07364	0.4
323.09091	0.7
337.10672	0.6
369.13354	0.5
383.11285	0.8
387.14322	20.5
388.14648	1.1
392.77573	0.3
395.33859	0.3
397.12558	0.7
415.13818	27.1
416.14093	1.2
463.29663	0.4
502.34619	0.3
743.37732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
53.95970	0.8
55.01865	2.3
55.05504	13.5
57.03430	13.6
57.07061	1.6
59.04994	0.8
61.02912	3.4
65.03921	2.0
67.05497	55.2
69.03426	6.1
69.07060	14.8
71.04983	4.2
71.53010	1.0
73.02912	1.8
79.05483	52.4
80.05824	1.1
81.03413	4.4
81.07047	51.1
82.07394	1.0
83.04965	10.6
83.08611	7.6
85.02898	6.6
85.06533	2.9
87.04456	5.5
91.03948	1.7
91.05469	22.6
92.05766	1.0
93.07030	58.0
94.07382	1.0
95.04955	7.1
95.08595	41.8
97.02870	1.7
97.06520	4.9
97.10159	2.6
99.04466	1.3
99.08075	1.3
101.06003	1.9
103.03979	0.9
105.07018	17.3
106.07353	1.0
107.04916	4.1
107.08577	28.3
108.08899	0.9
109.06529	1.4
109.10143	12.6
110.63865	0.8
111.08063	1.0
113.06013	0.8
115.03881	1.5
117.06995	4.5
119.08568	12.7
120.08915	1.3
121.06485	1.5
121.10127	61.8
122.10485	1.6
123.08060	6.8
123.11712	6.7
125.09605	2.1
129.06961	2.5
131.08536	24.5
133.06480	2.5
133.10117	7.1
135.08044	1.8
135.11687	9.4
137.09642	1.2
137.13249	1.7
139.11147	4.5
145.10069	5.9
147.11667	5.0
149.09598	21.1
149.13240	5.7
151.11131	1.1
157.10077	0.9
159.08031	1.5
159.11655	3.5
160.29063	0.8
161.13251	3.0
163.11057	0.9
163.14708	1.3
165.12784	1.0
167.10655	22.5
173.13217	4.3
175.14832	1.7
177.09102	2.9
184.07332	3.3
185.11674	4.7
187.14862	2.1
195.10112	4.9
203.12808	1.7
209.91618	0.9
213.11255	3.2
227.19931	1.0
231.12335	1.2
241.14392	3.8
243.15759	1.7
243.21005	5.5
251.12743	1.7
259.20593	1.0
261.22107	18.6
269.13876	3.5
277.21658	1.0
287.14853	66.2
317.24609	4.9
335.25751	100.0
336.26077	3.9
445.32953	0.9
503.37262	2.5
529.36176	1.8
546.38300	1.2
547.36163	35.6
548.36475	1.3
565.37195	3.4
762.59106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22708	0.8
55.01865	3.4
55.05238	0.7
55.05505	12.5
56.43177	0.6
57.03194	0.9
57.03431	9.8
61.02919	0.8
64.70868	0.8
67.05499	16.6
69.03407	2.6
69.07065	3.9
70.70404	1.7
70.70775	1.6
71.04998	4.2
73.02872	0.9
79.05482	18.2
81.03411	41.6
81.07045	15.6
83.04974	4.9
83.08604	13.9
84.60219	0.7
85.02866	1.9
85.06508	1.6
91.05476	14.5
93.07043	15.7
95.04955	15.5
95.08593	7.7
97.02877	2.0
97.06517	2.8
97.10160	13.3
105.07030	11.2
107.04940	16.1
107.08582	11.5
109.02825	1.1
109.06499	12.6
109.10133	4.6
111.04420	1.1
111.08076	5.0
113.05991	1.0
115.05444	1.1
117.07011	4.0
119.04954	1.6
119.08575	8.6
121.06504	10.4
121.10137	9.8
122.90015	0.8
123.04399	1.4
123.08097	3.8
123.08842	0.8
123.11696	1.4
125.06007	0.8
125.09618	10.6
128.06218	1.1
129.06985	6.4
131.04916	1.4
131.08556	10.0
133.06511	3.4
133.10100	4.8
135.04324	0.7
135.08046	4.7
135.11676	1.2
137.05963	2.0
137.09624	1.4
139.11188	1.3
141.06969	1.9
142.07819	1.1
143.08546	2.3
145.02826	0.8
145.06477	5.2
145.10062	4.3
147.04416	1.8
147.08020	3.9
147.11661	5.6
149.05919	1.0
149.09593	3.6
151.11127	1.2
153.09129	1.6
153.12737	0.7
155.08531	1.1
157.06430	1.1
157.10110	6.1
159.08040	1.9
161.09605	1.3
161.42650	0.7
163.03752	0.8
163.11172	2.8
165.12669	0.9
167.08566	1.1
169.10057	1.2
171.08049	1.3
171.11670	2.4
173.09637	1.6
173.13283	1.8
175.11194	5.0
181.10033	1.3
183.11612	1.0
185.09654	0.8
185.11703	1.2
185.13258	0.8
187.11198	2.0
189.01917	0.8
189.11191	4.9
189.12752	1.8
191.14330	2.8
193.12224	13.1
195.11722	1.0
197.13347	1.1
199.11139	1.6
201.12767	1.0
205.12283	1.3
209.09703	0.9
211.11159	1.1
211.13097	1.5
213.12703	1.2
215.14273	1.6
217.12172	1.0
219.13795	9.5
225.12799	0.8
227.12793	2.3
229.14394	0.8
231.13791	1.6
233.15337	2.2
235.13083	1.1
237.14996	1.1
241.14209	1.2
244.38651	0.7
249.14819	1.5
255.13686	1.3
259.13220	1.1
259.15457	6.6
267.15887	36.2
268.16312	0.9
271.16751	0.9
273.14655	4.5
275.16757	0.8
293.17444	5.9
339.23248	1.6
349.21652	4.1
357.24387	0.9
367.22690	13.3
385.23688	21.0
386.24408	1.3
403.24838	9.4
405.24011	1.3
423.25262	1.0
433.25644	1.6
441.26361	7.7
451.26721	3.4
459.27365	100.0
460.27884	3.5
461.29477	1.1
477.28448	89.3
478.28931	3.4
491.30078	9.5
495.12607	1.6
495.29401	7.9
501.28696	1.9
509.31631	3.6
567.29364	2.6
580.33240	1.3
585.30219	1.2
603.31525	0.8
605.57635	0.8
637.28235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01861	4.6
55.05503	14.7
57.03425	10.9
57.07058	1.1
61.02898	1.8
65.03923	1.5
67.05496	46.4
69.03407	2.1
69.06728	1.2
69.07061	14.4
70.65609	3.0
71.04972	3.1
73.02879	2.0
79.05481	46.4
81.03399	1.8
81.07047	48.7
83.04959	3.8
83.08611	11.2
85.06549	1.1
91.05465	15.4
93.07030	62.7
94.07320	1.0
95.04947	7.3
95.08591	62.5
96.08922	1.2
97.02873	5.0
97.06516	5.2
97.10155	2.4
99.04424	3.7
105.07029	14.4
107.04938	10.1
107.08580	39.7
107.09305	2.1
109.06488	2.9
109.10149	12.1
111.04414	1.6
111.08080	1.9
113.09602	1.1
117.06225	1.2
117.07001	12.8
119.08562	15.7
121.06497	6.9
121.10120	23.2
123.11684	3.8
125.05990	3.4
129.06934	1.4
130.07735	1.6
131.08594	5.0
133.10121	7.3
135.07988	2.2
135.11671	58.4
136.11974	1.3
137.13228	1.1
139.07512	1.5
143.08545	1.0
143.80927	0.9
145.10103	33.3
147.11656	3.4
149.13228	3.7
159.11679	2.7
161.13258	2.2
163.11160	66.1
163.14780	2.1
164.11493	1.3
173.13229	2.6
175.14838	1.3
181.12231	12.8
187.14853	1.5
209.11641	1.8
227.12753	84.8
228.13147	2.4
243.21150	3.2
261.22113	9.1
283.15356	100.0
284.15735	3.2
317.24689	1.5
335.25754	99.7
336.26178	5.7
543.36755	84.3
543.43451	0.8
544.37054	8.4
637.16394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
54.12587	0.5
55.01874	1.5
55.05504	10.7
56.05021	0.5
56.05843	0.6
57.03422	4.3
59.04997	1.0
61.02918	6.6
64.84764	0.6
65.03941	0.8
67.05498	19.1
69.03421	3.6
69.07064	4.1
70.77042	1.5
71.04984	5.1
73.02924	2.2
74.06064	0.6
77.03925	0.6
79.05485	13.2
80.05022	0.9
81.03407	10.7
81.07047	24.0
83.04984	2.0
83.08604	6.6
83.49084	0.5
85.02896	5.1
85.06556	2.3
85.08492	0.7
91.03963	2.0
91.05469	12.2
93.07039	9.2
94.06562	3.4
95.04953	6.7
95.08608	5.4
97.02885	5.0
97.06528	2.3
97.10149	8.3
99.04479	0.7
101.02380	0.5
105.07015	7.2
106.06570	1.4
107.04952	4.4
107.07356	1.5
107.08582	7.3
108.08128	1.8
109.06501	3.3
109.10155	4.3
111.08097	1.5
115.05476	0.6
117.05733	0.7
117.07007	3.5
118.06546	1.7
119.04995	1.1
119.08581	4.6
120.08092	3.3
121.06493	3.5
121.08909	0.5
121.10103	3.0
122.09681	0.7
123.08066	1.0
123.11701	2.6
125.09616	6.0
127.04027	0.6
128.06197	0.7
129.06995	3.5
130.06520	0.7
131.07434	1.0
131.08589	4.7
132.08067	4.7
133.06546	0.9
133.09053	1.0
133.10104	5.7
134.06003	1.3
134.09674	4.1
135.08080	2.1
135.11722	1.0
136.07585	2.6
138.05605	0.7
138.09128	1.0
141.06978	0.6
143.08585	2.0
144.08069	2.7
145.05074	0.5
145.06471	1.6
145.08949	1.2
145.10129	2.3
146.06020	1.0
146.09627	3.7
147.04356	2.9
147.08052	1.4
147.11707	1.7
148.07579	2.1
149.09627	1.7
149.13287	0.8
150.09122	5.9
151.11185	1.6
152.07088	1.8
152.10707	1.2
155.08502	1.0
156.08110	0.7
157.08942	1.0
157.10149	2.5
158.09605	3.2
159.11720	2.0
160.07597	2.4
160.11208	1.8
161.08327	0.6
161.13310	0.6
162.09135	1.4
163.11171	1.1
164.07077	1.2
164.10585	0.7
166.08615	0.9
169.10094	0.7
170.09627	1.5
171.10303	0.7
171.11662	0.9
172.07663	0.6
172.11194	1.3
173.11919	0.6
173.13306	1.6
174.09166	1.1
175.11201	1.5
176.07161	0.7
176.10727	1.4
178.08669	3.0
184.11192	1.3
185.13255	1.2
186.09186	1.3
187.13303	1.0
188.10699	1.1
189.11224	1.6
190.08575	0.7
191.14340	1.2
193.12247	1.6
196.09648	0.8
197.13388	0.8
198.12917	0.7
200.10724	0.7
200.14314	0.6
204.10117	0.9
209.13274	0.9
211.13315	1.1
219.13808	2.0
227.12750	0.7
228.13960	0.6
230.15459	0.9
242.15405	0.6
244.16946	2.1
246.15009	0.7
248.16473	1.9
249.14877	0.7
254.15396	1.0
256.16980	1.0
257.17419	0.7
258.18451	0.9
260.16620	0.9
262.18073	1.5
267.15839	4.6
269.17520	0.8
270.15784	0.5
270.18454	2.9
272.13705	0.5
272.16357	2.7
274.18030	1.6
275.16327	0.6
278.55380	0.5
284.16437	0.6
286.18088	2.1
288.16620	1.0
288.19553	5.0
290.17596	3.5
290.20953	0.9
298.18042	2.5
301.20251	1.8
302.17572	1.6
304.19000	1.6
306.20807	0.6
306.27789	0.7
312.19632	0.8
314.17664	0.8
315.23389	0.6
316.19113	3.1
318.17038	1.2
320.18579	1.7
328.19217	0.6
334.20160	1.1
336.17889	0.8
343.22702	1.9
346.20099	0.7
348.17960	1.5
356.22293	0.6
361.23914	0.7
368.89557	0.6
369.24216	1.1
374.19919	1.0
390.22644	0.6
394.27536	0.9
398.27081	1.0
406.28220	0.7
412.28464	1.4
417.26465	1.5
422.26636	2.9
435.27414	6.7
440.27887	8.0
443.27774	5.1
450.26279	0.8
458.29074	8.3
459.29626	0.7
461.28970	49.6
462.29276	1.5
468.27533	2.2
475.30795	0.8
486.28436	4.3
493.31467	2.6
504.29645	1.9
514.31635	1.3
516.29889	0.8
532.32690	3.3
534.30377	0.8
542.31158	2.6
550.33734	2.1
560.32141	22.7
561.32379	2.5
578.33179	100.0
579.33563	8.4
602.33191	2.9
620.34564	1.0
668.33862	1.2
686.35339	1.0
704.36206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89507	0.2
56.05019	0.6
57.02042	0.2
57.03417	0.3
57.07056	1.0
58.06604	0.5
60.08157	6.4
67.05507	0.6
71.07368	3.0
71.08623	0.5
79.05484	0.4
81.03412	1.2
81.07038	0.9
83.08597	0.5
86.09698	29.6
87.10002	0.2
89.34336	0.3
91.05471	0.7
93.07029	0.6
95.04962	0.4
95.08603	0.6
98.98453	2.8
104.10760	2.1
105.07029	0.5
109.02869	0.3
119.08573	0.5
120.73096	0.2
124.99990	19.8
130.65121	0.2
143.00975	0.3
166.02567	0.3
184.07321	100.0
185.07649	0.9
193.12166	0.3
267.15924	2.1
281.13687	0.4
313.27426	2.5
335.25748	0.7
415.36740	0.3
501.11444	0.3
505.38998	1.6
541.35144	0.3
688.34186	0.4
688.45398	6.4
689.45123	0.5
707.27368	0.3
763.89160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
54.03177	0.4
55.01858	1.1
55.05505	8.0
57.03421	2.5
58.59359	0.4
61.02917	6.2
67.05496	9.3
69.03429	3.3
69.07062	2.7
71.01341	0.5
71.04977	2.4
73.02915	1.9
73.77340	0.4
79.05484	7.2
80.05006	1.2
81.03405	5.5
81.07042	11.6
83.04956	1.3
83.08607	3.8
85.02892	4.3
85.06538	1.8
87.04485	0.5
91.03949	1.8
91.05468	6.0
93.07032	5.5
94.06538	2.6
95.04963	2.9
95.07336	0.4
95.08585	2.8
96.08066	0.4
97.02876	3.9
97.06543	1.2
97.10157	6.3
97.62352	0.5
98.21554	0.8
99.00387	0.4
100.07582	0.5
101.02402	0.4
103.05490	0.8
105.07027	5.3
106.06548	1.6
107.04942	2.7
107.07353	1.4
107.08584	5.0
108.08109	1.8
109.02870	0.4
109.06525	2.2
109.10139	3.0
111.08091	0.6
115.05424	0.5
117.05794	0.7
117.06993	2.0
118.06568	2.1
119.04915	1.2
119.08567	2.8
120.08082	3.3
121.06515	1.5
121.10136	1.9
122.09673	1.0
123.08103	0.7
123.11694	1.3
124.07566	0.6
124.88471	0.4
125.09618	5.1
127.03916	0.5
128.06244	0.5
129.06999	2.0
130.06520	0.9
131.07283	1.2
131.08565	2.6
132.08087	4.5
133.06450	0.7
133.08888	1.2
133.10129	3.2
134.05977	0.9
134.09627	3.4
135.08052	1.6
135.11682	1.1
136.07559	2.4
137.09662	0.6
138.05537	0.7
138.09119	0.9
140.69817	0.5
143.08586	1.2
144.08049	3.0
145.06447	0.7
145.08876	1.3
145.10121	1.4
146.06024	0.6
146.09624	3.3
147.03391	0.4
147.04370	2.3
147.10553	0.5
147.11714	1.3
148.07564	1.9
148.11200	0.7
149.08403	0.4
149.09612	0.6
149.13271	0.5
150.09140	5.6
151.11162	1.0
152.07045	1.9
152.10689	0.7
155.08585	0.5
156.08092	0.7
157.06581	0.5
157.08977	0.5
157.10136	1.3
158.09616	2.1
159.10379	1.0
159.11710	1.1
160.07603	2.3
160.11218	1.6
161.08435	0.5
162.09158	1.0
164.07062	1.0
164.10693	0.7
165.12819	0.6
169.10175	0.6
170.09608	0.9
171.11678	0.6
172.07610	0.9
172.11212	1.6
173.08356	0.5
174.09151	0.8
174.12756	0.6
175.09833	0.6
175.11192	0.9
176.10728	1.0
177.05473	0.9
178.08572	2.2
180.06526	0.5
184.11179	0.7
186.09154	1.2
186.12743	0.7
187.09944	0.5
188.10684	1.2
189.11241	1.7
190.08659	0.9
190.12239	0.6
192.10332	0.5
193.12276	1.0
196.09703	1.2
198.12885	0.4
202.15991	0.7
209.13289	0.6
211.13066	0.5
212.14333	0.5
216.17517	0.6
219.13780	0.6
224.14180	0.4
226.15883	0.6
227.12773	0.6
228.13847	0.6
228.17609	0.4
230.15311	0.7
232.17004	0.9
234.14920	0.7
242.15379	0.6
242.19032	0.8
244.16946	1.9
246.14664	0.5
248.16452	1.5
254.15323	0.7
256.17023	0.8
258.15125	0.6
258.18591	0.4
260.16483	1.7
262.18066	1.3
267.15933	1.8
268.16913	0.8
269.17639	0.9
270.18570	3.2
272.16473	2.5
272.19989	0.5
274.18005	1.7
284.16553	0.5
286.18008	1.8
288.19501	5.0
290.17545	2.6
290.20761	0.6
296.16382	0.5
298.18152	2.5
301.20212	0.9
302.17496	1.4
304.19028	1.1
306.20670	1.4
314.17398	0.6
316.19058	2.8
318.16809	0.9
320.18604	1.3
326.21420	0.4
328.19125	0.9
330.17111	0.7
330.20682	0.6
334.20258	1.8
336.18066	1.1
342.20749	0.5
343.22736	1.2
346.20129	0.5
348.18146	0.7
369.24472	0.5
394.27380	0.9
396.25256	0.9
412.28482	1.1
414.26468	0.6
417.26361	0.6
422.26895	2.8
424.28714	0.7
435.27402	2.8
440.27850	5.5
442.30075	0.6
443.27844	2.0
450.26138	0.6
458.29004	6.0
459.29248	0.4
461.28943	20.3
462.29379	0.9
468.27124	2.3
472.30838	0.5
475.30499	0.5
479.29651	0.5
486.28320	2.9
488.29770	0.7
493.31586	1.3
504.29443	1.5
514.31439	1.3
516.29236	0.8
522.30267	0.6
532.32611	2.0
534.31866	0.5
542.31134	2.1
543.31000	0.6
550.33557	1.1
560.32111	23.3
561.32416	2.0
578.33160	100.0
579.33435	7.8
602.32971	2.3
620.33838	1.2
668.34436	1.2
686.34613	0.8
704.36121	1.5
740.38458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01860	5.3
55.05507	18.7
57.03434	15.8
57.07063	1.6
59.04990	2.0
67.05502	18.5
69.03411	4.9
69.07069	6.5
69.85211	1.2
71.04974	3.9
71.21297	1.3
71.52493	1.9
71.70277	1.3
72.00926	1.4
79.05484	19.9
81.03416	78.1
81.07052	27.7
83.04974	9.0
83.08612	25.9
83.97269	1.4
85.02888	3.0
85.06537	2.6
91.05479	29.3
93.07048	19.6
95.04964	25.0
95.08605	8.8
97.02908	6.3
97.06505	6.2
97.10162	8.7
99.00808	12.0
103.05457	2.0
105.07034	20.6
107.04948	15.0
107.08590	11.5
109.02875	11.9
109.06515	8.4
109.09411	1.3
109.10133	6.5
111.04432	2.6
111.08072	10.4
115.05469	2.3
117.06988	4.6
119.04942	2.1
119.08584	16.8
121.06492	9.5
121.10130	9.0
123.04452	3.4
123.08039	3.2
123.11706	2.2
125.09621	9.5
127.03892	3.3
129.07027	8.3
131.08543	10.8
133.06474	4.5
133.10124	31.0
135.08003	3.3
135.11655	2.7
137.05984	2.6
137.09590	3.2
139.07504	2.4
143.08539	3.8
145.06488	3.8
145.10123	4.0
147.04410	2.9
147.08052	3.9
147.11653	6.8
149.09566	4.8
151.11172	11.0
153.06961	1.8
153.09155	1.8
157.10141	9.7
159.07967	1.3
161.09593	18.2
163.11188	3.0
165.90732	1.3
171.08040	4.5
173.13168	2.0
175.11183	10.8
179.10622	9.6
189.09081	9.0
189.11174	6.0
189.12714	1.6
193.12230	27.0
197.11716	3.0
199.11314	2.3
207.10175	4.2
211.13307	5.4
219.13783	8.6
223.13249	1.5
225.11185	10.2
227.12675	3.3
243.12222	1.8
267.15897	100.0
268.16339	2.7
273.14905	2.7
281.13797	4.5
285.10168	2.1
285.16919	3.4
299.14862	59.4
330.20950	1.7
367.22577	5.6
385.23648	5.2
389.23248	1.6
403.24710	1.9
434.40747	1.4
441.26324	2.9
445.25879	8.5
455.23935	1.5
459.27383	27.9
460.42508	1.4
463.26883	6.4
473.25363	25.8
477.28464	21.7
478.64694	1.4
491.26297	89.3
492.26865	3.1
509.27240	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	731.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05507	1.3
57.03435	1.4
61.02920	5.3
67.05496	5.3
69.03427	2.9
69.07043	1.4
69.28915	3.6
69.29343	2.7
73.02908	3.6
74.48038	0.6
79.05494	3.6
79.35211	0.5
81.03408	1.5
81.07041	5.6
85.02907	5.6
91.03944	4.7
91.05471	1.0
93.07024	4.2
95.08620	2.2
97.02888	5.4
99.04465	0.8
101.02396	1.3
101.64716	0.6
105.07021	1.4
107.08595	2.3
109.02903	1.1
109.10143	1.6
116.78604	0.7
121.10169	1.5
127.03889	0.7
131.08542	1.2
133.10144	0.8
135.11671	1.2
149.13210	1.5
235.13069	1.5
243.08478	2.0
301.14835	0.6
428.74139	0.7
453.20865	4.5
519.29108	6.3
623.75610	0.7
625.53516	0.6
731.43329	100.0
732.43805	4.2
737.41559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03946	0.3
65.03933	4.7
65.04247	0.5
67.05502	1.2
69.03423	0.6
69.07108	0.3
70.06584	1.1
71.52592	0.3
72.08131	0.3
72.54042	0.3
81.03422	0.3
82.00550	0.3
82.04179	1.2
83.04938	0.3
83.61877	0.3
84.08117	0.3
85.02904	2.4
86.09721	0.3
90.53784	0.2
91.05474	12.8
93.03417	0.4
95.04967	0.5
97.02879	0.5
97.06526	0.9
108.02067	0.7
110.03633	1.3
111.04440	0.9
114.03127	0.3
119.04930	31.2
120.05227	0.3
120.08126	0.3
125.05975	0.7
135.04448	0.3
137.05971	0.6
138.03125	0.6
142.02599	1.2
147.04395	100.0
148.04730	1.8
171.06531	3.0
173.09552	0.3
177.05319	0.3
181.04938	56.4
182.05263	0.8
246.61554	0.3
280.85513	0.3
327.07291	1.4
355.06271	0.3
519.10724	0.3
526.06592	0.3
733.47400	0.4
734.48706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01861	0.1
59.57058	0.1
65.03929	2.9
67.05490	0.4
69.03416	0.5
69.86321	0.1
70.06582	0.4
70.77503	0.3
70.77838	0.2
72.08157	0.2
82.04188	0.6
84.08115	0.3
85.02886	1.0
86.09676	0.2
91.05471	14.3
93.03394	0.3
95.04949	0.4
97.02881	0.3
97.06529	0.4
108.02023	0.2
109.02830	0.2
110.03650	0.6
111.04415	0.3
119.04927	28.2
120.05271	0.4
123.00835	0.2
125.05981	0.3
127.03895	0.2
137.02301	0.1
137.05940	0.2
138.03145	0.5
142.02597	0.7
147.04391	100.0
148.04735	1.2
166.98877	0.1
171.06516	1.2
177.05440	0.2
181.04930	39.0
182.05318	0.4
223.90067	0.1
242.56972	0.1
289.22934	0.1
327.06815	0.8
373.07486	0.2
733.41656	0.3
734.41644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.0
58.99864	2.2
69.03436	2.6
71.51758	1.4
71.52122	0.9
77.00898	2.5
85.02899	3.0
86.99333	1.4
89.03910	3.9
94.99907	1.4
97.02896	1.8
98.97569	6.5
101.00876	7.1
105.00368	1.7
105.66475	0.8
107.04945	2.1
109.02885	2.6
110.97555	1.9
115.02411	1.1
116.98598	4.7
117.03367	7.2
119.01917	30.2
127.02415	1.3
127.03877	2.3
128.98595	3.4
131.01909	9.6
133.03448	2.0
134.99593	1.4
135.04393	9.2
136.00179	0.9
137.02959	4.2
143.00145	2.5
143.01886	23.3
145.02838	12.9
145.03618	4.7
145.04630	1.8
145.05075	1.2
146.99622	2.0
147.01398	3.8
149.03008	1.8
149.05896	0.9
154.03487	1.3
155.01898	11.3
157.03477	6.5
158.99631	3.6
161.01315	2.3
161.02953	28.0
162.03041	1.1
163.03879	94.5
164.04239	2.5
167.01897	7.0
169.03484	3.6
170.99710	2.9
171.01382	2.6
171.05032	1.8
173.02954	25.7
174.99197	0.9
175.00906	1.5
175.04546	2.2
177.00716	3.0
177.02342	2.0
177.05449	15.9
177.06879	1.1
178.05789	1.3
179.01993	2.7
181.03549	1.2
182.99712	1.3
183.01390	1.2
184.04601	2.2
185.01099	3.1
185.02946	38.2
186.03049	1.3
187.04506	5.0
189.00677	3.6
189.02432	3.1
191.04041	1.9
193.03441	2.0
196.04562	1.0
197.02954	12.7
201.00711	4.9
201.02457	2.9
203.01913	3.9
203.04019	13.2
207.05103	2.5
209.02950	2.0
211.04549	1.6
213.02505	1.4
214.91789	1.0
215.04001	9.4
219.01743	6.8
221.02951	100.0
221.04878	5.3
222.03177	4.6
227.03914	7.7
233.01364	1.5
235.04617	1.5
237.02779	3.7
239.04114	24.5
240.04182	1.2
243.01645	1.8
244.04617	3.5
245.02888	15.0
245.05093	61.2
246.05280	1.6
247.04628	1.1
249.02223	0.9
251.02431	2.3
257.02548	5.7
257.05307	12.2
259.04486	5.1
261.02692	8.6
263.03934	53.0
263.05984	5.3
264.04086	1.8
267.03531	2.0
271.00571	1.3
273.02676	2.1
275.02664	3.6
275.03760	4.0
275.06601	5.2
277.04028	3.3
279.03745	7.2
281.05112	27.0
282.05408	1.5
285.02344	3.4
286.05594	2.9
287.03998	3.9
289.05524	2.1
291.03729	2.3
293.04099	1.2
293.07309	2.1
295.06708	4.7
299.06512	6.8
303.03299	7.5
305.07681	4.6
306.98209	2.5
307.06497	2.4
311.06100	2.1
314.03766	2.0
315.03299	1.2
317.04886	1.6
321.04578	4.3
323.06192	7.1
329.04922	1.8
335.04752	2.1
335.08334	2.1
336.02817	1.2
339.05518	1.6
345.04596	2.1
347.06076	12.2
348.99466	2.4
349.03885	1.2
351.06027	2.1
359.04471	3.4
363.05609	2.3
365.07266	12.4
377.03210	17.8
381.06818	1.2
383.08237	8.6
393.06808	1.5
395.06122	4.6
395.56870	1.8
396.04736	3.2
405.06796	2.2
407.08392	1.2
411.11511	1.3
413.05600	8.3
419.04599	6.2
437.05536	27.8
447.07739	7.2
449.05692	2.8
455.06686	18.1
456.06168	1.1
465.08749	4.3
467.06781	10.5
473.07605	4.6
479.07068	1.2
485.08008	2.1
497.07864	5.2
515.08453	3.1
521.07507	4.5
539.08710	15.2
545.13031	6.6
555.08093	1.3
557.09961	9.8
567.10144	1.5
575.10663	2.4
613.08246	1.0
627.12262	1.7
701.13666	4.0
718.94946	1.2
719.14673	3.6
737.16022	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	728.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.89643	1.0
55.01872	4.6
55.05511	7.4
57.03433	4.1
57.07056	1.5
61.02895	1.3
62.52457	0.9
65.03931	1.6
67.05500	39.0
69.03407	2.7
69.07063	10.6
69.27844	9.0
71.04977	3.3
72.05782	0.8
79.05485	19.3
81.03406	3.1
81.07048	39.3
81.07531	1.9
83.04963	4.5
83.08601	2.6
85.02877	2.2
85.06534	3.5
91.05474	25.0
93.06489	1.7
93.07039	24.9
95.04964	4.3
95.08602	16.2
97.02866	1.6
97.06512	3.3
99.04440	1.2
105.07020	21.8
107.07879	1.7
107.08582	24.0
109.06519	3.0
109.10149	39.1
113.05978	1.3
117.07000	2.2
117.92413	1.0
119.08577	5.8
121.10123	6.5
123.07998	1.0
123.11691	6.7
125.09596	1.3
125.71313	0.9
127.07529	2.1
131.08566	6.6
133.06735	0.9
133.10110	40.5
134.10455	1.0
135.11659	4.7
143.08473	1.2
145.10095	2.6
147.11673	2.1
149.13222	3.1
151.11171	20.8
159.11693	2.0
161.09573	1.6
161.13225	1.5
163.14830	1.1
169.12228	3.7
173.13245	2.2
179.10571	1.4
184.07265	1.1
212.25937	1.1
215.12833	1.8
227.55992	0.9
243.21129	2.5
245.74303	0.8
253.14331	100.0
254.14557	1.8
261.22183	9.9
271.15369	27.4
279.23029	0.9
317.24866	2.3
335.25763	48.2
336.25909	1.8
439.31860	1.7
457.32559	1.5
458.33548	1.0
513.35925	6.1
525.04736	1.1
531.36761	47.8
532.37018	1.6
737.84760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01867	0.6
55.02675	0.4
55.05504	1.3
57.03436	2.7
59.04988	0.5
60.90681	0.3
61.02910	3.8
64.67928	0.4
66.22678	0.4
67.05505	3.4
69.03429	2.8
69.07076	0.7
70.06591	0.4
71.04984	1.8
71.52827	0.7
73.02913	3.7
79.05476	3.2
83.04984	1.2
83.08618	1.4
84.08164	0.4
85.02896	5.5
87.04484	0.8
91.03947	2.7
91.05474	5.0
92.05824	0.4
93.07038	2.7
95.04964	2.4
95.08604	1.3
97.02892	3.2
97.06558	0.9
99.04447	0.6
101.02406	1.3
105.07007	2.4
107.04914	1.0
107.08610	1.1
109.02888	1.0
109.06456	0.5
109.10171	0.6
111.04469	0.5
111.08067	1.1
119.04948	1.3
119.08572	1.8
121.10134	2.2
123.08109	0.6
125.09642	0.3
127.03928	1.6
129.07021	1.1
131.04988	0.7
131.08554	2.1
133.10129	1.9
137.06027	0.4
142.07722	0.4
147.04379	4.7
147.11708	1.8
148.04715	0.5
149.09639	1.8
151.03938	0.5
154.29059	0.4
155.44983	0.3
157.10153	1.2
175.11214	1.5
177.05463	0.7
185.04214	0.8
190.49432	0.4
193.12190	2.5
203.05234	0.6
211.13371	0.5
225.78017	0.4
243.08502	2.7
251.12711	1.2
267.15891	0.8
283.15173	3.3
285.16956	0.5
339.17715	0.7
469.20480	9.0
470.20944	0.5
501.23038	10.6
729.36615	100.0
730.36853	6.8
750.18573	0.5
752.51190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
57.07059	0.2
61.02911	0.4
69.03419	1.1
69.07038	0.3
69.61010	2.0
70.06571	1.1
71.04971	0.4
76.02214	0.5
79.05469	0.3
81.03410	2.4
81.07024	0.3
81.50712	0.3
84.04551	0.2
85.02895	2.0
86.09694	0.4
89.03905	3.6
91.05476	0.6
93.07037	0.4
95.04374	0.5
95.04954	6.9
95.08597	0.5
97.02853	1.2
97.06522	0.5
99.04453	1.7
103.05454	0.4
105.07048	0.6
107.04932	0.3
107.08549	0.5
109.02896	1.7
109.06512	0.8
109.10117	0.5
117.03365	11.9
119.08582	0.4
121.10111	0.8
123.04371	0.3
123.08055	0.7
123.11667	0.3
126.06409	0.3
127.03920	0.6
133.10112	0.7
134.03622	0.8
135.04395	1.2
135.08023	0.3
137.05963	1.7
145.02827	39.2
146.03154	0.6
147.04337	0.4
147.11703	0.4
149.05960	4.8
151.07515	0.9
153.09085	2.6
163.03845	0.9
173.13277	0.4
176.67209	0.3
177.05447	100.0
178.05800	1.5
179.04770	0.3
179.07016	1.2
186.05518	1.1
189.12749	0.6
191.14381	0.6
192.62457	0.3
195.06474	1.8
207.13722	0.7
209.15349	5.3
209.17329	0.3
221.89091	0.3
227.16415	0.8
287.05453	0.7
308.08960	0.4
317.06506	0.7
321.09604	2.3
339.10712	6.8
600.53979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89577	0.9
53.03920	1.1
55.01872	5.8
55.05504	8.1
57.03431	5.7
57.18565	0.9
57.77527	1.1
61.02899	1.6
65.03908	1.3
67.05502	34.8
69.03424	2.1
69.07053	10.9
71.04959	2.5
71.44732	2.1
79.05490	17.3
81.03422	1.7
81.07050	32.4
83.04964	4.0
83.08143	1.0
83.08607	4.2
85.02867	1.6
85.06512	3.1
87.04401	1.0
91.05479	26.3
92.05810	0.8
93.06485	1.6
93.07035	20.9
95.04958	4.9
95.08606	13.0
97.06508	2.7
99.04415	1.8
105.07027	21.7
106.87648	0.9
107.04964	1.2
107.08592	24.4
109.06483	3.7
109.10153	39.3
111.08011	1.1
113.06011	1.8
115.76865	1.0
117.07007	2.7
119.08550	5.1
121.10131	7.9
123.11687	8.9
125.09620	1.4
127.07587	2.0
129.07002	1.0
130.30956	1.0
131.08591	5.3
133.10120	44.0
135.11665	5.0
137.37904	1.0
143.08527	2.0
145.10062	3.1
147.11693	2.3
149.13235	3.3
151.11162	22.4
159.11633	2.3
161.09618	1.6
161.13287	2.1
162.35164	1.0
163.14806	2.1
169.12204	4.3
171.06660	0.9
173.13271	2.2
179.10727	1.2
197.11630	1.9
210.26288	0.9
215.12877	1.6
232.28726	0.9
243.21049	2.6
253.14342	100.0
254.14635	1.1
261.22095	12.3
271.15396	40.5
278.36053	0.9
295.39728	1.1
317.24564	1.9
335.25745	32.4
421.30960	1.2
439.31729	2.7
457.32889	1.4
513.35803	8.1
531.36792	39.1
532.37079	1.3
745.29437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30011	0.9
53.03933	2.7
55.01860	2.9
55.05313	0.7
55.05510	8.9
57.03426	11.0
59.04978	1.0
59.15084	0.8
60.96090	1.0
61.02930	1.2
65.03913	1.3
67.05500	16.4
69.03418	2.5
69.07056	4.8
70.30106	0.9
70.30437	4.1
71.04984	2.9
77.79176	1.0
79.05488	16.5
81.03410	66.8
81.07050	17.9
82.03718	1.3
83.04973	8.4
83.08607	16.5
83.09061	1.4
85.02897	9.8
91.05474	21.9
93.07043	10.1
95.04964	24.9
95.08604	7.0
97.02864	4.0
97.06515	1.6
97.10149	4.5
105.06394	1.6
105.07026	15.3
107.04963	5.9
107.08614	6.2
109.06517	3.8
109.10165	3.0
111.04431	1.9
111.08076	6.3
113.05994	2.2
117.07003	2.5
119.04879	1.6
119.08566	13.6
121.06461	3.6
121.10121	7.5
123.08057	2.7
125.09612	3.1
129.07010	11.5
131.04924	1.2
131.08551	9.0
133.06493	2.8
133.10118	7.8
135.11682	1.1
137.09596	2.1
142.07713	1.6
145.06491	4.0
145.10081	2.1
147.08041	3.9
147.11681	10.3
149.09612	5.5
157.10114	11.8
159.11723	1.2
161.09584	1.1
163.11166	1.9
165.12755	3.1
171.08081	1.4
171.11629	1.5
175.11165	12.4
193.12219	30.6
211.13266	16.0
215.14355	1.0
227.12711	1.3
233.15320	1.6
235.13277	1.2
249.14915	2.9
255.13890	2.1
267.15891	100.0
268.16275	2.3
273.14700	4.6
285.16953	14.1
294.83203	1.0
339.23050	1.5
349.21530	4.4
367.22586	10.5
385.23807	8.4
403.24747	3.3
404.82452	1.0
405.24417	1.6
433.25830	15.1
441.26379	5.3
442.26648	1.1
459.27386	65.3
460.27850	4.5
477.28488	42.1
478.29068	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	724.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.9
51.98271	0.9
53.03930	4.1
54.75025	0.9
55.01855	2.6
55.05504	17.7
57.03164	0.9
57.03430	17.0
57.07069	2.4
61.02910	3.1
64.21922	0.9
65.03919	3.0
67.05497	55.7
69.03417	4.0
69.07054	12.3
70.56486	3.3
70.56851	0.9
71.04969	2.4
73.02908	2.2
75.50036	1.0
79.05484	37.4
81.03407	78.7
81.07043	49.9
81.07533	1.7
82.03738	1.5
82.07378	0.9
83.04967	4.7
83.08601	15.8
85.02878	4.8
85.06509	1.1
85.20857	1.0
86.63269	1.0
91.05471	28.5
93.07029	36.9
95.04955	27.6
95.08589	34.6
95.09179	2.2
97.02866	4.1
97.06538	2.4
97.10154	4.8
105.04503	1.4
105.07012	20.7
107.04949	6.5
107.08573	20.0
109.06494	5.5
109.10136	17.4
111.04401	1.8
111.08055	5.1
115.05434	1.5
117.07003	4.9
119.08575	18.9
121.06490	3.7
121.10126	18.8
123.04414	2.2
123.08078	2.4
123.11671	5.6
125.09610	3.4
129.06995	8.5
131.08549	15.6
133.06494	3.3
133.10126	9.6
135.07986	1.2
135.11682	10.5
137.09584	2.4
137.13190	1.1
142.07762	1.8
145.10107	8.2
147.08025	3.4
147.11673	9.9
149.09627	3.8
149.13225	8.2
151.11128	1.0
157.10127	7.8
159.11659	6.3
161.13220	3.1
163.11121	1.8
163.14810	3.6
165.12717	1.9
169.10043	1.2
173.09741	1.1
173.13272	5.0
175.11127	7.3
175.14841	2.0
184.07277	1.3
185.13312	1.4
187.14807	3.1
189.11224	4.4
193.12183	18.9
193.14957	1.0
199.14746	1.2
201.16347	1.4
211.13239	1.4
227.12682	5.6
235.13280	2.2
243.21143	6.2
249.14888	2.0
259.13278	1.2
261.22110	18.7
267.15881	100.0
268.16254	1.2
273.14938	1.5
279.23239	1.8
287.15967	1.1
295.22653	1.3
301.14282	2.4
301.25220	5.5
309.16959	3.9
317.24750	3.4
335.25754	94.3
336.25986	2.9
352.85681	1.2
380.57553	1.0
417.26080	1.2
421.25949	1.2
435.27231	1.9
435.32578	4.8
453.33530	6.9
471.34674	2.8
527.37280	50.7
528.37445	2.7
545.38226	21.1
546.38525	1.2
569.38629	4.7
635.38538	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78330	0.6
53.03916	2.0
53.04137	0.6
54.83712	0.5
55.01834	2.7
55.05506	6.1
57.03432	7.9
61.02901	1.1
63.46879	0.6
65.03902	0.7
67.05501	13.7
69.03394	1.9
69.07075	4.1
69.46716	5.3
70.34192	0.6
71.04985	3.0
78.78182	0.7
79.05484	18.6
81.03412	50.7
81.06599	0.9
81.07050	15.7
83.04974	4.2
83.08611	12.1
85.02866	1.4
91.04914	1.0
91.05470	14.0
93.07040	25.1
95.04385	0.9
95.04962	17.5
95.08600	22.5
96.08850	0.9
97.02889	3.9
97.06515	3.0
97.10126	1.7
97.96748	0.6
99.04407	2.0
105.06401	0.9
105.07027	11.4
107.04950	6.5
107.08581	17.5
109.06520	3.0
109.10143	3.1
111.04399	2.4
111.08070	4.6
115.05434	0.7
117.07004	6.7
119.04874	0.8
119.08565	11.5
121.06503	5.1
121.10132	11.1
123.08037	0.7
125.05936	2.3
125.09546	0.9
127.03787	0.8
129.06996	5.2
130.07785	0.7
131.08543	4.6
133.06461	1.0
133.10133	4.7
135.08006	2.1
135.11682	30.1
135.12723	1.5
136.11977	0.9
137.09584	1.4
139.07442	1.2
142.07709	1.1
143.08455	0.9
145.10114	17.0
147.04350	1.5
147.07996	2.2
147.11679	4.2
149.09612	3.4
154.06990	0.6
155.08502	1.2
157.07376	0.7
157.10133	6.2
159.11613	0.7
159.79744	0.7
163.11168	42.8
164.11516	1.4
165.12749	1.3
175.11147	6.3
177.05447	1.0
181.12204	7.3
191.10696	0.8
193.12230	15.5
201.53522	0.7
209.11574	1.2
211.13283	2.6
227.12764	44.0
249.14905	1.9
267.15894	95.5
268.16211	1.9
275.19925	0.8
283.15369	62.5
284.15900	1.2
315.18103	0.9
461.29013	1.0
467.25467	0.7
475.26880	100.0
476.27576	3.0
493.27969	1.0
507.29532	0.8
517.27899	1.2
525.30780	1.1
560.36597	1.0
722.40668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96310	0.5
56.96555	5.0
69.03384	0.8
70.96572	1.2
77.08680	0.5
79.03606	0.4
84.96023	2.9
85.02873	1.1
89.03845	0.6
92.02594	0.4
95.66803	0.4
98.97563	27.9
110.96838	0.7
110.97552	8.4
110.98306	0.3
112.83529	0.4
116.98607	13.3
117.03358	0.6
119.01887	0.6
122.67372	0.5
123.14819	0.4
124.99107	0.7
127.03870	1.0
128.98596	12.5
131.00090	0.7
134.99641	4.3
135.04356	1.2
139.80345	0.4
140.98573	2.3
143.00150	8.4
143.01852	0.5
144.98035	0.5
145.02759	0.9
145.04869	0.6
146.99634	7.1
147.04350	1.4
152.98549	1.9
152.99641	1.1
158.01102	0.5
158.99629	13.9
160.99974	0.8
161.01195	7.4
162.99248	0.5
163.02716	0.4
163.03900	6.3
164.04196	1.3
165.00743	0.8
168.00102	0.6
170.01051	0.5
170.99625	14.7
173.01198	0.7
173.02910	0.9
177.00687	12.5
179.02202	0.7
180.00089	0.5
182.99605	9.0
184.29245	0.4
185.01349	0.4
185.02925	0.7
187.51062	0.5
188.99016	0.9
189.00688	15.5
195.01717	1.3
198.01216	1.0
201.00687	40.0
203.02310	0.7
203.04013	0.8
207.01782	2.1
210.01109	0.5
212.02390	0.7
213.00668	2.8
219.01746	34.5
220.01967	0.7
224.02325	1.1
231.01743	5.6
237.02795	13.6
240.02238	1.1
242.03296	1.0
243.01749	14.5
245.05002	1.7
247.04872	0.5
249.02731	0.6
255.03899	0.8
261.02792	69.2
262.03098	1.5
273.02768	5.2
279.03848	40.5
280.04156	0.6
284.04367	0.7
291.00604	1.0
291.03845	14.7
297.04895	0.6
299.54388	1.0
300.04297	0.9
302.05447	2.9
303.03561	1.0
309.04965	2.3
321.04898	29.7
322.05429	0.5
333.04776	3.5
336.05377	0.6
345.04837	0.7
351.01889	0.7
351.05988	8.4
363.05911	1.4
381.07022	22.8
397.09775	1.3
399.08075	23.6
422.09750	1.6
423.08090	1.0
441.09109	100.0
442.09433	2.7
453.09076	1.7
471.09967	1.5
483.09857	0.6
501.11121	1.0
543.12183	1.0
578.39728	0.4
723.18292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10047	2.8
55.05494	8.2
57.03419	9.9
57.07070	28.2
62.13965	2.6
67.05491	20.4
69.07058	10.3
71.08618	18.8
71.44762	5.2
79.05487	15.5
81.07043	22.0
83.04957	3.3
83.08596	10.1
85.10166	10.1
91.05480	7.8
93.07037	27.0
95.04935	4.9
95.08589	38.6
97.10139	4.4
99.04459	4.8
105.06992	3.0
107.04911	4.7
107.08588	21.0
109.10140	7.9
116.41718	2.4
117.06975	7.8
119.08543	6.1
121.06511	5.7
121.10132	13.7
135.11665	31.8
145.10103	21.2
152.76488	2.5
163.11150	34.4
181.12256	5.0
187.42807	2.3
219.86377	2.2
227.12753	56.1
283.15369	100.0
313.27310	96.0
445.54657	2.8
521.38342	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99783	2.1
53.03934	8.0
55.01873	10.3
55.05510	27.5
57.03439	10.6
57.07075	3.3
61.02885	2.5
65.03928	7.6
67.05499	91.3
67.10532	1.7
69.03430	10.3
69.07063	27.3
69.25996	20.6
71.01331	3.6
71.04986	12.4
72.96181	2.1
77.03942	2.4
79.05485	68.7
81.03414	27.7
81.07048	100.0
83.01299	2.4
83.04972	12.7
83.08597	20.0
85.02895	9.8
85.06540	4.7
86.64989	1.9
87.04446	3.2
91.04900	3.8
91.05467	69.2
93.07034	72.4
95.01323	14.6
95.04964	21.2
95.08598	66.8
97.02879	8.0
97.06514	11.3
97.10152	9.3
99.08103	3.5
103.05455	3.5
105.07019	63.0
107.04943	13.4
107.08587	43.7
109.02885	7.3
109.06501	10.8
109.10149	34.3
111.04423	3.4
111.08058	4.0
115.05441	5.1
117.06999	28.3
119.04930	3.2
119.08574	46.1
121.02869	3.2
121.06511	10.8
121.10130	27.6
123.04393	8.2
123.08073	7.2
123.11686	13.4
125.02315	4.8
125.09634	9.1
127.03874	6.7
128.06209	5.2
129.05412	3.2
129.06976	23.4
131.04921	6.3
131.08562	39.1
133.06493	7.8
133.10104	36.9
135.04416	6.1
135.08060	11.4
135.11703	17.8
137.05968	3.4
137.09615	6.3
137.13268	5.0
139.03902	2.9
139.11119	2.2
141.01843	6.4
141.06982	8.4
142.07767	2.8
143.08551	18.7
145.06436	7.6
145.10098	28.1
147.04387	9.7
147.08035	5.5
147.11674	29.7
149.05981	5.1
149.09610	8.1
149.13197	12.2
151.03882	7.2
151.11127	3.8
153.12634	2.3
154.07732	2.7
155.08595	11.9
157.10135	19.8
159.08025	4.5
159.11678	29.4
161.05945	4.8
161.09593	5.8
161.13243	12.0
163.03900	3.8
163.11159	5.3
163.14841	4.4
165.05510	2.3
165.12740	3.8
167.08546	4.3
169.10143	16.5
171.11636	15.7
173.04465	3.9
173.09575	3.9
173.11804	4.3
173.13255	16.8
175.07510	3.4
175.11171	10.6
175.14783	6.0
177.04025	2.7
177.12772	5.1
179.07007	3.1
179.08575	3.5
181.10092	8.7
183.08025	4.7
183.11682	11.1
185.09605	4.4
185.13283	9.7
187.07539	2.2
187.11111	6.1
187.14804	9.2
189.11150	3.7
193.12262	11.7
195.11705	5.5
197.09645	3.2
197.13170	7.2
199.11119	4.3
199.14804	6.6
201.16280	3.3
205.12222	4.9
207.11813	4.5
207.13669	4.6
209.09789	2.3
209.13211	3.2
211.07468	2.2
211.11191	4.8
211.13095	3.7
211.14850	6.1
213.16454	3.7
215.10614	2.6
217.12190	3.4
219.13582	2.3
221.13257	3.5
223.11136	3.2
227.10664	2.7
227.12663	2.6
227.88512	2.1
243.21036	5.7
256.26361	5.0
259.13187	3.0
259.20557	7.8
261.11047	2.2
261.22089	15.6
267.15771	4.4
267.20959	2.6
271.20316	2.4
275.19977	2.6
277.21753	2.7
285.22186	2.9
287.12772	5.8
289.14261	6.2
289.21533	2.9
291.19531	5.1
301.21954	2.6
303.23380	4.0
305.13840	4.3
315.12231	4.5
315.23318	2.7
317.24707	3.8
323.14670	2.9
323.23560	2.7
332.95432	2.3
333.13242	7.0
333.24420	5.0
335.15030	2.5
335.25882	21.0
339.23178	2.4
351.14328	16.3
369.15332	4.8
407.17075	2.3
411.24908	2.0
425.17966	8.2
435.32663	8.4
443.19067	8.9
471.33978	3.4
503.37161	8.7
509.36417	2.8
527.37262	34.5
528.37665	3.3
545.38281	17.0
549.35132	3.0
559.35870	5.8
583.36237	2.5
593.34314	6.7
607.36292	2.9
611.35699	13.2
620.36145	2.4
629.36420	6.7
649.37488	3.1
657.41711	2.7
667.38293	8.4
685.39270	26.2
689.42682	2.8
703.40479	40.5
721.41492	26.8
721.55701	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	714.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	31.5
57.03419	16.0
67.05499	81.1
69.07043	31.1
69.87409	39.7
71.04946	6.5
79.05490	60.7
79.54739	5.3
81.07053	100.0
83.08612	10.5
85.06509	7.5
91.05475	37.7
93.07040	55.0
95.08605	52.5
104.64098	6.0
105.07020	50.9
106.09471	6.9
107.08586	41.1
109.10164	30.4
110.71389	5.5
117.07025	7.2
117.61668	5.3
119.08556	34.2
121.10151	40.4
123.11727	10.6
124.99986	6.8
131.08572	20.6
133.10094	26.1
135.11674	19.6
143.08546	7.6
145.10107	21.3
147.11728	31.2
149.13260	9.8
155.31036	6.0
159.11671	13.9
161.13203	12.0
165.12669	7.5
166.77483	6.4
173.13264	8.3
175.14845	9.9
184.07304	27.0
199.14767	6.8
229.14383	10.4
231.97266	7.1
239.16418	22.0
241.17804	10.3
259.20786	6.4
261.22275	7.1
335.25708	50.1
355.67044	6.4
425.34113	17.5
443.35089	7.9
489.35666	10.3
499.37717	36.9
517.38818	76.0
598.30408	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	718.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01859	5.1
55.05509	15.2
57.03429	12.1
59.05000	3.8
61.02925	2.9
65.03924	4.0
67.05499	100.0
68.05834	2.0
69.03420	5.6
69.07063	15.8
70.15117	7.5
71.04979	4.9
79.05483	24.4
81.03404	10.7
81.06585	3.0
81.07046	38.7
83.04986	8.3
83.06068	2.0
83.08617	12.4
85.02901	5.2
85.06534	3.7
86.09694	3.6
86.41605	1.8
87.04382	1.5
91.05469	28.0
93.07035	28.7
95.04955	8.3
95.08599	18.9
97.02885	4.9
97.06515	7.3
97.10175	2.6
99.04422	2.1
105.07011	13.6
107.04933	5.7
107.08593	14.6
109.02872	1.6
109.06500	4.3
109.10146	70.8
110.07156	5.1
110.10462	1.7
111.08073	4.8
117.07005	6.7
117.63715	1.9
119.08579	16.1
121.06525	3.7
121.10124	8.4
123.08059	2.1
123.11675	2.7
125.09602	3.1
127.03883	3.3
129.06978	3.7
131.08551	7.5
133.06516	2.0
133.10139	11.6
135.08031	2.1
135.11687	6.5
137.09615	2.8
141.06966	2.2
145.10089	9.1
147.08025	2.4
147.11674	5.6
149.09599	6.3
149.13243	5.5
155.10635	4.3
157.10124	2.8
159.11703	6.1
159.61295	1.9
161.13275	2.2
163.11183	6.3
169.10051	1.6
171.11664	1.8
173.11781	17.6
173.13196	3.4
177.12814	2.6
183.11639	1.8
184.07283	4.7
189.11229	2.9
193.99797	1.5
195.01512	1.9
195.13850	2.1
206.74927	1.7
207.19199	1.5
227.12813	5.4
229.14317	57.5
255.15913	4.0
257.18979	5.3
269.17508	10.9
273.18683	2.2
275.20053	12.5
321.35410	1.6
349.23709	9.5
409.25784	17.6
423.27377	57.3
424.27921	2.9
503.33530	17.0
521.34296	3.0
678.27557	1.8
718.46246	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	712.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01876	4.6
55.05516	21.6
57.03426	15.0
57.03677	3.0
57.07053	5.3
67.05498	68.5
68.05855	3.6
69.03416	3.3
69.07057	22.0
69.27817	9.4
69.28237	24.5
71.04978	7.3
77.83462	3.0
78.89413	3.1
79.05485	57.0
81.03417	5.5
81.07046	52.3
83.04974	14.2
83.08621	7.9
85.02885	4.5
85.06528	5.2
88.94109	3.1
91.05461	25.4
93.06487	4.5
93.07041	69.6
95.04955	7.0
95.08594	36.9
97.06518	14.0
97.10170	7.3
100.88934	3.2
102.06685	3.3
105.07030	14.4
107.08567	36.0
109.06541	3.0
109.10139	18.2
117.07034	4.2
119.08580	11.9
121.10152	16.4
123.11681	4.3
131.08527	6.0
133.10110	12.2
135.11684	43.2
144.63881	3.2
145.10039	7.9
147.11647	5.1
149.13232	4.6
153.12770	9.1
159.11676	5.7
163.11227	7.8
163.14777	4.0
164.07257	3.2
173.13199	3.5
181.12216	14.0
194.74799	3.3
255.15919	75.8
261.22131	8.6
317.24860	4.1
335.21921	2.9
335.25723	72.8
336.26022	5.3
515.37299	100.0
516.37817	4.6
612.83942	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	713.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65091	0.1
53.03938	1.5
55.01670	0.1
55.01867	1.2
57.03439	0.6
60.09332	0.1
60.49341	0.1
61.02926	0.9
68.99783	0.9
69.03421	5.2
70.06570	0.1
70.35021	0.4
71.04982	0.7
73.02903	1.2
81.03406	6.5
85.02895	8.9
87.00309	0.3
87.00818	4.0
87.04475	0.2
91.03926	0.4
91.63736	0.1
93.03400	0.3
97.02879	3.2
99.04434	2.2
105.01846	2.4
109.02861	5.3
111.00774	0.8
117.01831	0.9
121.02849	0.9
123.04395	0.4
127.03895	7.4
129.01791	0.7
135.04407	0.2
137.02327	3.3
137.03329	0.2
145.04947	2.4
147.02873	0.4
149.02310	0.6
153.01801	2.8
159.02879	3.1
161.05978	0.4
163.03897	0.6
165.01794	1.6
166.02646	0.2
171.02866	0.2
173.05975	0.3
177.03903	0.2
177.05385	0.2
183.02831	1.0
187.03862	0.2
191.03406	0.2
191.06958	0.2
195.02896	0.2
201.05432	1.5
205.05055	0.2
207.81213	0.1
207.83469	0.2
213.03775	0.2
215.03419	0.2
219.06604	0.3
221.25252	0.1
228.04257	0.2
229.04939	4.2
230.05421	0.2
231.04985	1.1
247.06021	0.8
257.04382	2.6
274.04745	0.8
275.05246	0.3
285.03903	1.1
302.04196	0.2
303.04938	100.0
304.05298	3.1
345.05960	0.9
411.06985	0.3
465.10236	11.0
466.10294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01897	1.0
55.05512	1.4
55.58662	0.8
57.03433	1.5
61.02910	0.9
67.05500	5.2
67.46757	0.7
69.03406	1.1
69.07067	1.0
70.06595	0.9
70.87261	1.4
70.87601	1.3
71.04978	0.9
78.04684	2.2
79.05484	9.7
81.03403	4.9
81.07053	6.5
83.08598	1.5
85.02892	1.9
86.09712	1.0
91.05473	23.5
93.07042	2.5
95.04948	4.5
99.00811	5.2
103.05445	1.8
105.07016	3.7
106.04157	1.1
107.04945	18.8
107.08607	1.7
109.06481	1.2
109.10157	1.3
112.23598	0.8
115.05410	2.6
119.04932	20.7
119.08554	2.5
120.05726	1.6
121.06487	2.3
121.10108	1.1
123.04398	6.8
124.05243	4.5
125.05959	2.3
128.06166	1.9
129.06961	2.5
131.04857	1.3
131.08554	1.5
133.06508	1.8
133.10088	1.3
135.04395	1.3
137.05974	1.4
141.06989	4.0
142.07813	1.4
143.08553	2.4
144.05711	1.5
145.06476	2.2
147.04395	9.1
147.11635	1.1
151.03900	2.2
152.04655	2.7
152.06187	1.0
153.05618	0.9
153.06947	1.8
155.08435	0.8
156.05681	2.6
157.06450	3.1
157.10062	0.8
158.07320	2.0
159.07997	3.3
161.06000	1.5
163.03922	1.0
163.11172	1.0
165.06972	1.5
167.07027	97.4
168.05728	0.8
168.07312	1.0
169.04976	3.1
169.06342	2.0
170.07230	9.3
171.07999	1.7
173.05983	2.1
174.06683	1.1
177.05492	2.3
177.06943	1.6
179.07036	9.8
181.06419	1.0
181.07190	0.9
181.08583	8.0
186.06725	3.5
187.07547	3.9
188.08275	2.2
189.07007	1.1
191.06953	1.3
191.08521	3.1
193.06711	1.1
193.08543	1.8
193.12227	1.7
195.06490	1.2
195.08083	2.0
197.05977	1.4
198.06697	3.8
199.07545	2.8
201.05406	1.4
201.09142	3.2
202.06096	1.3
202.07782	3.4
203.00432	1.0
203.08546	2.8
203.10645	2.8
205.06477	2.6
205.08595	5.2
206.07381	1.0
207.06491	2.8
207.08162	1.1
207.09892	0.8
208.05185	6.3
209.11720	0.9
211.07460	1.9
211.13286	1.6
212.08330	6.9
213.09119	8.4
215.08569	2.9
216.07666	4.6
217.06548	1.4
217.08488	8.0
218.07239	3.5
219.08051	8.2
219.09985	1.4
220.08821	6.1
221.06013	1.3
221.09602	2.1
223.11139	0.9
225.09206	1.0
229.06494	1.2
229.08546	7.4
230.07195	1.9
231.07999	10.9
231.10165	35.1
232.08788	3.2
233.05925	3.1
233.09598	6.1
234.06709	1.5
234.10406	1.4
235.07497	1.9
235.11163	1.6
236.04608	2.8
236.08321	1.7
237.09096	2.4
240.04106	1.2
244.08739	2.1
245.05972	1.3
245.09604	3.5
246.06740	3.6
247.07524	16.0
247.09808	1.5
248.08296	16.1
249.09018	2.7
250.06247	2.6
251.07109	1.7
251.10637	1.3
254.05688	4.4
258.06851	2.4
259.07532	4.8
260.08279	3.5
260.86716	1.0
261.05704	1.3
261.09125	8.0
262.06372	1.9
262.09824	5.6
263.06967	3.4
263.10660	13.9
264.04337	1.1
264.07803	3.6
264.10965	0.8
265.08536	7.6
266.05817	1.0
266.09384	1.0
267.15952	3.4
268.03714	0.9
268.16177	1.4
269.08020	10.6
271.09601	2.2
273.09045	2.8
274.06210	1.3
275.07059	9.4
276.07809	11.9
277.08530	7.3
278.05786	2.6
278.09363	2.8
279.06631	2.2
279.10135	3.5
280.07397	1.2
280.10779	2.0
282.05185	1.1
284.06918	0.9
284.15732	1.0
285.16830	2.6
286.17212	1.2
287.09314	1.1
288.08078	1.2
289.08606	3.3
290.09296	8.9
291.06775	1.9
291.10086	21.3
292.07272	5.2
292.10480	1.7
293.08099	13.8
293.11435	2.4
294.08755	2.1
295.06088	1.1
295.09573	1.4
299.09027	1.7
301.07312	1.4
303.06366	1.1
304.07294	4.7
305.08029	6.4
305.11591	2.0
306.08810	1.7
307.06055	1.6
307.09540	8.6
308.10394	10.2
309.07471	1.2
309.11124	1.7
310.08344	1.4
315.08588	32.2
316.08957	1.4
318.08795	3.8
319.09616	16.7
320.10324	3.6
321.07495	5.8
321.11176	4.3
322.08218	3.2
322.12000	2.8
323.05154	1.1
323.09003	1.7
323.12704	20.2
325.10593	2.8
325.14148	1.2
329.10080	0.9
330.10922	31.4
331.11877	4.6
335.09000	2.9
336.09869	12.3
337.10684	9.9
338.07663	1.9
339.12338	1.9
350.11383	1.8
351.12216	45.8
352.12927	6.8
353.10135	10.0
353.13858	2.2
355.15585	1.1
368.12460	12.5
369.12375	1.3
370.14160	1.3
383.14853	100.0
384.15131	3.4
385.11560	1.8
385.16422	27.9
401.15979	7.9
477.28506	1.9
478.28497	1.7
495.29407	1.7
496.30011	2.5
571.58508	0.9
711.35242	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	710.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01861	3.2
55.05503	13.1
57.03430	11.9
59.04991	1.2
61.02908	1.8
65.03934	1.0
67.05497	20.1
69.03427	4.7
69.07061	4.6
70.04251	3.0
70.06567	1.3
71.04981	3.8
73.02926	0.6
79.05483	20.5
81.03407	83.4
81.07045	21.8
83.04972	8.8
83.08612	22.0
83.09116	0.9
84.08103	0.7
85.02895	13.1
85.06523	1.3
86.09686	1.2
87.04504	0.7
91.03941	0.7
91.05468	26.3
93.07031	15.0
95.04956	29.5
95.08596	9.0
97.02880	3.8
97.06523	3.7
97.10162	6.0
99.04449	0.8
99.08064	1.1
103.05466	0.7
105.04446	0.6
105.07021	19.1
106.07393	0.6
107.04939	11.0
107.08582	8.1
109.02876	0.9
109.06493	6.4
109.10150	4.9
111.04429	2.5
111.08073	9.9
113.06014	1.3
115.05453	2.0
117.03331	0.6
117.07011	3.0
119.04906	2.3
119.08562	16.9
121.06461	3.6
121.10120	8.4
123.04408	1.6
123.08055	2.7
123.11699	1.9
124.99996	0.6
125.09620	5.1
127.03884	0.9
127.07558	0.6
129.06989	12.0
131.08559	12.9
133.06477	3.6
133.10107	8.2
135.08069	2.2
135.11662	1.1
137.09569	2.8
141.06909	0.6
142.07764	3.7
143.08479	1.4
145.02808	2.3
145.06483	4.0
145.10081	3.3
147.04402	4.1
147.08031	4.9
147.11665	12.1
149.09598	6.3
155.08519	1.4
157.06499	0.9
157.10109	14.1
159.08031	1.5
159.11633	0.8
161.05901	0.8
161.09587	1.5
163.03961	0.8
163.11151	1.9
165.12733	2.7
167.07103	0.8
167.08522	0.7
169.10049	0.6
171.07933	0.8
171.11627	1.2
172.74919	0.7
173.06102	0.7
175.11165	12.5
177.05443	3.3
177.12776	1.1
178.05618	0.6
181.10062	0.6
183.08018	0.9
184.07266	1.0
189.11148	1.4
189.12671	1.2
193.12224	35.8
195.11700	0.8
197.13341	0.9
203.14267	0.7
211.13252	18.7
219.13770	1.6
223.13200	1.1
227.12584	1.0
229.14339	1.6
233.15370	1.3
235.13260	0.6
237.12750	0.7
237.14906	0.8
249.14767	2.1
255.13818	1.9
259.15399	0.9
267.15881	100.0
268.16245	2.3
273.14838	3.4
285.16901	18.5
293.17508	1.1
309.16711	0.8
341.21243	1.1
349.21448	3.6
351.12210	0.9
357.24045	0.9
367.22556	9.6
383.14618	1.6
385.23636	13.0
403.24728	4.0
405.24347	0.9
415.24609	1.2
433.25824	13.1
441.26334	6.9
459.27347	72.0
460.27728	2.7
477.28418	49.8
478.28519	1.5
495.29370	1.9
585.30432	0.7
692.36530	1.4
710.36871	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	710.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53859	1.1
53.03941	2.8
55.01854	1.0
55.05510	10.5
57.03433	10.6
57.07071	2.5
67.05499	53.7
69.03427	1.3
69.07064	8.2
69.85338	7.3
71.04970	1.7
79.05483	28.3
81.03395	1.2
81.07046	34.2
83.04971	2.6
83.08602	3.4
85.06515	1.7
91.05473	82.3
93.06481	2.2
93.07037	27.7
93.18584	1.3
95.04964	4.3
95.08596	29.8
97.02869	1.6
97.06510	1.3
97.10145	2.8
105.07023	33.6
107.08585	14.8
109.06477	2.4
109.10143	10.6
117.07001	6.1
119.08564	11.3
121.10132	11.3
123.11696	2.6
128.06238	1.5
131.08540	6.5
133.10115	93.9
134.10492	1.6
135.11678	9.4
137.13266	1.5
143.08516	5.4
145.10115	2.5
147.11687	2.3
149.13194	3.2
151.11162	3.9
156.58496	1.1
159.11679	2.2
161.09598	13.8
161.13223	2.8
163.11206	1.3
163.14787	1.5
171.11746	1.7
173.13197	1.6
179.10649	1.5
187.14771	2.6
197.11758	3.1
243.21043	2.8
251.12871	1.8
253.14322	54.5
261.22067	6.4
317.24695	3.2
335.25766	100.0
336.26120	3.1
378.82626	1.2
411.29828	1.2
434.64676	1.3
439.31528	1.1
513.35718	77.1
514.36157	2.2
516.38049	1.2
531.36456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05511	11.4
55.71339	1.5
55.78247	1.5
56.80548	1.3
57.03428	8.8
57.07067	1.8
62.96854	1.3
67.05495	44.2
69.07058	7.6
71.04992	2.0
71.53028	2.5
75.52839	1.3
79.05486	25.3
81.07040	30.1
83.04954	2.2
83.08602	3.1
85.06466	1.5
91.05468	82.8
91.53274	1.3
93.07038	21.6
95.04954	4.1
95.08588	22.2
95.76144	1.5
97.06526	1.9
105.07018	36.3
107.08575	11.8
109.10141	8.8
111.04397	1.5
117.07005	6.2
119.08571	8.9
121.10131	9.2
123.11731	2.6
125.09589	1.8
128.06215	1.8
131.08534	6.2
133.10110	100.0
134.10486	1.9
135.11658	7.7
137.05946	1.6
143.08525	5.5
145.10085	3.5
149.09650	1.7
149.13196	2.0
151.11147	5.0
159.08047	1.8
159.11650	2.4
161.09560	14.9
179.10672	2.8
184.16121	1.6
197.11691	2.2
243.21013	4.8
251.12794	4.0
253.14308	63.7
254.14822	2.0
261.22113	7.8
317.24597	3.1
335.25754	74.5
336.25964	2.5
374.51736	1.4
449.42310	1.7
513.35718	65.2
514.36322	2.3
538.37830	2.1
608.47479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01864	5.5
55.05509	23.2
56.94250	1.2
57.03434	17.1
60.08161	1.8
60.81632	1.1
61.02912	2.9
67.05498	31.1
69.03412	4.8
69.07060	9.9
69.46598	3.1
69.47010	6.9
71.04978	4.2
79.05487	31.6
81.03411	98.8
81.07047	30.4
82.07397	1.3
82.07886	1.1
83.04990	10.5
83.08613	23.8
84.16819	1.3
85.02900	5.9
85.06532	2.8
86.09687	6.9
91.05473	27.5
93.07034	24.1
95.04957	31.4
95.08591	13.2
97.02885	5.3
97.06522	5.6
97.10163	15.8
98.21547	1.3
99.04463	1.5
99.08112	1.4
103.05451	1.7
105.07020	19.9
106.77629	1.3
107.04945	17.5
107.08565	18.3
109.02887	1.4
109.06509	10.0
109.10121	8.4
111.04436	6.9
111.08074	9.8
115.05471	2.5
117.07001	7.9
118.07346	1.5
119.04929	2.4
119.08574	19.6
120.08813	1.5
121.06503	10.4
121.10121	12.6
123.04463	3.3
123.08070	4.9
123.11682	1.9
125.00004	3.6
125.09621	15.9
129.06982	12.6
131.04924	1.6
131.08549	19.9
133.06491	6.0
133.10126	8.9
135.08052	4.9
135.11673	5.1
137.09602	2.8
141.06996	2.1
142.07770	2.9
143.08554	3.2
145.06490	5.2
145.10118	8.0
146.10509	1.9
147.04431	3.7
147.08049	7.5
147.11700	9.4
149.09627	7.7
151.11195	1.9
153.09128	2.4
153.12790	2.6
155.08542	2.9
157.10110	11.3
159.08049	2.9
159.11713	3.6
161.05939	1.8
161.09593	2.5
162.30247	1.4
163.11186	5.0
167.10722	1.2
169.10123	5.0
171.08038	2.7
171.10286	1.4
171.11707	3.6
173.09586	3.4
173.13197	2.9
175.11157	10.6
177.05402	1.3
177.12782	2.0
181.10098	2.5
181.12257	3.9
184.07333	23.3
185.13202	1.8
187.11087	2.5
189.11221	8.4
189.12714	2.3
190.22293	1.2
191.10736	2.4
193.12241	26.7
195.11761	1.6
197.09677	1.4
197.13191	2.0
199.11153	2.5
211.13242	3.4
213.12700	1.7
215.14215	1.8
217.12311	1.7
219.13744	4.2
227.12775	5.5
231.13724	1.8
233.15421	4.4
235.13371	1.8
241.14261	1.6
249.14922	1.9
267.15875	91.2
268.16101	2.0
269.17493	5.6
273.14780	4.3
283.15445	1.5
293.17447	1.7
309.16837	1.5
315.18298	3.0
339.23123	2.4
349.21588	4.5
357.24310	2.4
367.22726	13.8
385.23743	21.6
403.24670	10.1
441.26328	5.8
459.27371	100.0
460.27466	6.3
477.28467	60.0
477.34296	1.4
477.35376	2.5
478.29074	2.7
491.29953	9.0
501.28223	4.5
509.31140	12.4
513.28113	1.8
526.35889	2.6
543.29205	2.3
543.36841	3.0
544.37146	14.3
555.29547	1.6
567.29492	4.0
578.88605	1.3
688.40912	2.3
706.44171	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	707.208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98328	0.3
70.71445	0.9
70.71766	0.4
82.99837	0.8
94.99857	0.6
97.02885	0.5
98.35331	0.4
101.00880	3.4
107.66608	0.5
109.02854	0.4
119.01910	10.6
119.87782	0.3
122.01352	0.7
127.02405	0.7
131.01912	4.4
131.52007	0.7
137.01871	1.2
137.02959	1.6
143.01871	13.0
143.51996	0.6
145.03456	6.5
147.01349	0.7
149.01915	0.6
152.02414	0.9
153.03822	0.4
155.01875	7.1
157.03436	3.0
161.02946	16.1
163.04456	0.9
167.01849	5.0
167.15741	0.4
169.03468	1.5
171.05031	1.9
173.02953	14.5
175.04518	0.8
179.01779	2.1
184.04607	0.5
185.02939	31.9
186.03131	0.6
186.91658	0.6
187.04529	3.9
191.03964	0.9
197.02942	12.4
199.04536	0.6
203.02078	0.5
203.03960	10.8
203.05719	0.6
204.04111	0.5
208.04514	0.8
209.02928	1.1
215.03989	8.2
221.05034	1.2
223.04565	0.4
224.04442	0.7
224.54578	0.4
227.03987	6.9
239.03952	1.0
245.05048	100.0
246.05312	3.7
257.05011	4.7
263.06094	14.1
269.05438	0.4
275.06088	12.5
276.06415	0.6
284.06671	2.8
284.56830	0.9
286.07693	0.8
287.05954	0.7
293.07199	4.6
304.91077	0.4
304.94016	2.2
305.07169	12.8
306.07443	0.6
317.06970	0.7
322.95291	5.1
328.88275	0.6
335.08218	4.5
347.08255	0.9
364.96414	16.5
365.09265	51.0
365.59488	0.6
365.96579	1.7
366.09579	2.7
383.10272	4.7
406.12024	1.1
407.10223	0.7
425.11365	41.7
426.11542	2.3
437.11441	2.5
455.12332	2.4
485.13821	0.6
707.18542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01869	4.4
55.05505	49.4
55.76683	0.6
57.03432	14.3
57.07069	4.4
59.04984	1.8
61.02917	3.8
65.03930	1.6
67.05498	59.0
69.03418	7.7
69.07061	13.7
69.31452	2.3
69.31867	4.2
71.04974	1.7
71.08614	1.6
73.02901	1.1
73.12035	0.8
74.35060	0.6
76.45943	0.7
77.03929	0.7
79.05485	36.1
79.83743	0.6
80.26893	0.6
81.03408	1.4
81.07044	47.0
83.04988	3.9
83.08609	32.6
85.02895	3.3
85.06537	3.2
85.10161	1.5
87.04433	1.5
89.06017	3.6
91.03937	1.3
91.05469	14.7
93.07033	36.2
95.04948	3.1
95.08598	30.8
97.02859	1.7
97.06511	2.6
97.10156	70.2
101.09642	1.4
105.07022	10.4
107.08582	35.2
109.06492	1.0
109.10144	17.8
111.08042	2.9
111.66291	0.7
117.07015	5.5
119.08562	8.2
121.10123	13.8
123.07992	1.1
123.11683	4.6
125.09614	64.7
131.08536	7.6
133.08568	2.7
133.10092	8.1
135.08058	6.7
135.11668	12.3
137.09618	0.9
137.13257	1.5
143.10593	3.2
145.10132	5.9
147.11670	4.3
149.13205	6.8
151.11127	1.0
153.09099	3.9
159.11705	4.4
161.13223	4.2
163.14769	2.6
171.10124	3.9
171.11449	0.9
173.13254	4.3
175.14772	1.2
177.11252	1.1
177.16409	1.3
184.07318	2.0
187.14827	1.3
189.11195	50.2
201.16336	1.1
205.15878	0.8
221.46719	0.6
227.12755	78.8
227.20029	26.2
228.13098	1.5
233.22557	1.8
243.21083	7.4
245.13820	99.4
246.14183	1.8
261.22101	31.1
262.22415	1.0
279.23123	1.8
317.24750	4.8
333.24225	0.9
335.25757	100.0
336.26004	2.9
350.15723	0.9
385.58704	0.7
413.30487	0.9
431.31378	2.2
451.32370	0.7
468.37869	1.0
487.34061	6.8
505.35159	66.7
506.35440	2.8
523.36249	2.2
718.20233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01884	4.0
55.05506	51.6
57.03431	12.3
57.07060	1.4
59.04984	1.9
61.02916	4.1
65.03926	1.2
67.05498	49.5
69.03419	6.6
69.07062	13.1
69.41868	0.8
69.42164	6.6
71.04977	1.2
71.08614	1.3
73.02924	1.0
74.79545	0.8
79.05485	30.7
81.03423	1.1
81.07048	38.9
81.92264	0.8
83.04965	3.1
83.08607	32.9
84.70693	0.7
84.73370	0.8
85.02900	3.9
85.06543	1.9
86.09707	4.7
87.95790	0.8
91.05479	12.7
93.07032	28.7
95.04956	2.2
95.07978	1.5
95.08595	28.1
97.02894	1.9
97.06512	1.4
97.10159	64.1
99.08064	0.9
101.09603	1.1
105.07015	8.1
107.08581	30.6
109.06551	0.9
109.10148	14.3
111.08055	2.3
117.06999	5.0
119.08553	5.5
121.10124	13.4
123.08071	1.1
123.11687	4.1
124.99981	2.3
125.09615	56.3
131.08549	6.1
133.10098	6.0
135.08038	5.8
135.11679	9.1
137.13217	1.3
143.10638	3.5
145.10104	3.8
147.11688	2.5
149.13292	4.0
153.09103	3.3
159.11681	4.0
161.13217	3.0
163.14738	2.0
171.10158	2.5
173.13191	4.7
175.14871	1.0
177.16389	1.1
184.07323	12.8
187.14819	2.1
189.11201	45.5
227.12758	70.8
228.13087	1.3
233.22681	1.1
243.21072	5.0
245.13824	100.0
245.54648	0.8
246.14091	1.5
261.22101	23.2
261.24875	1.3
279.23288	2.7
317.24609	2.5
323.21817	0.9
335.25754	61.8
336.26138	1.2
353.26865	0.9
395.29434	1.2
413.30637	1.1
431.31677	2.2
487.34302	7.3
505.35205	37.4
506.35611	1.3
523.36169	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	703.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81370	0.1
55.05499	0.1
69.03392	0.2
69.07024	0.2
69.50523	1.0
70.06557	0.4
79.05489	0.2
81.03362	0.2
81.07042	0.1
84.08099	0.1
85.02891	0.2
86.09677	0.3
91.05437	0.2
97.02892	0.2
98.20763	0.3
109.02824	0.2
109.06513	0.1
118.97952	0.1
119.04945	0.1
122.22083	0.1
123.04350	0.2
137.02313	0.2
142.80435	0.1
147.04367	0.4
151.03844	0.3
153.01851	0.6
154.02583	0.2
163.03871	0.3
177.05424	0.2
178.02565	0.4
179.07014	0.3
207.06503	0.2
213.05591	0.2
229.04874	0.2
242.05685	1.5
255.02837	0.2
258.05185	1.6
269.04413	0.3
270.05203	8.7
271.05731	0.3
273.03918	1.3
285.03986	0.1
286.04666	1.1
287.05457	4.1
298.04553	0.2
299.05389	0.6
301.03397	2.5
301.06711	0.2
302.04181	3.1
309.66592	0.1
313.03400	1.0
315.04947	35.7
316.05707	4.4
329.06686	0.3
331.08075	100.0
332.08432	1.9
507.11292	4.6
527.15442	10.7
631.07971	0.1
702.49237	0.6
703.18372	2.3
703.38263	0.2
703.49658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25840	0.2
51.34938	0.2
56.05024	0.8
57.07049	0.4
58.06604	0.5
60.08160	6.9
67.05505	0.4
69.21347	0.8
69.21761	1.8
71.07369	3.6
73.10616	0.2
80.47446	0.2
81.07040	0.3
86.09697	34.4
87.10047	0.3
89.06020	0.3
93.07030	0.5
95.08593	0.3
95.90500	0.2
98.98463	2.8
104.10726	3.5
124.99991	22.2
163.11220	0.4
184.07321	100.0
185.07648	0.5
321.44733	0.2
372.93253	0.2
379.69571	0.2
644.96808	0.3
704.44855	11.7
705.45294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
57.03421	0.3
57.07067	5.9
58.06589	2.4
62.97946	0.3
65.03931	4.2
67.05480	0.7
68.04993	0.7
69.03398	0.8
69.07058	0.3
70.06583	18.6
71.08619	3.2
72.08120	1.1
73.02924	0.3
79.05457	0.4
81.07030	0.7
84.08116	0.8
85.10168	0.7
86.09661	0.8
88.07616	18.5
91.05447	0.4
93.03384	0.4
95.04934	0.8
95.08589	0.7
102.09164	13.0
105.03346	0.6
105.06973	0.4
107.08607	0.3
110.20638	0.3
121.02849	1.7
130.38538	0.3
132.10182	1.8
133.10062	0.4
135.08017	0.3
139.03911	1.9
146.11745	2.4
147.04359	0.7
149.02322	55.9
149.03415	4.7
150.02676	0.6
152.06134	0.4
161.13063	0.3
167.40007	0.3
175.03879	1.2
177.05432	0.6
184.07326	0.5
187.21448	0.3
191.06958	0.3
193.04930	31.4
212.23712	1.1
219.06540	1.4
225.05447	1.0
237.07544	4.3
238.25362	0.5
256.26306	47.0
257.26703	0.9
263.09152	0.6
269.04425	0.6
291.19403	0.5
297.03879	1.2
300.28909	7.9
313.07025	1.2
341.06570	4.4
359.07507	3.6
359.11581	0.4
385.09131	10.4
387.10925	0.5
403.10172	10.6
429.11765	20.7
430.12277	0.4
472.92245	0.4
473.14386	12.8
474.14401	0.4
488.36465	0.3
640.34344	1.8
684.37555	1.2
702.38287	100.0
703.38660	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	701.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.9
55.01859	15.7
55.05505	43.9
57.03416	12.4
57.07077	4.4
60.35822	3.6
65.03919	4.3
66.24854	3.6
67.05491	84.8
69.03398	8.7
69.07050	17.7
71.04970	5.8
71.52515	4.3
79.05064	6.4
79.05476	60.9
81.03394	11.8
81.06596	5.4
81.07043	83.0
81.36358	3.9
83.04964	8.9
83.08613	19.2
85.02899	4.7
91.05465	52.3
93.07040	47.7
95.01315	14.2
95.04952	14.7
95.08593	56.3
97.02876	6.9
97.06512	5.2
97.10148	19.8
99.08018	4.7
105.07023	54.9
107.04948	9.1
107.08579	37.2
109.02863	6.3
109.06510	6.7
109.10147	27.5
111.04426	5.0
111.08047	3.9
115.05437	5.1
117.07003	30.4
119.08556	34.5
121.06520	4.3
121.10120	22.1
123.04418	5.8
123.07952	6.6
123.11681	9.8
125.09602	14.8
126.82708	3.9
128.06177	7.6
129.06978	22.1
131.04930	4.3
131.08545	44.3
133.02812	4.1
133.06462	5.0
133.10106	20.0
135.04376	5.0
135.08060	7.1
135.11642	11.1
137.02258	6.8
141.06989	12.1
143.08502	26.0
145.06386	7.8
145.10101	31.1
147.11681	15.5
149.02299	11.5
149.09572	5.8
149.13304	5.2
151.03845	6.5
153.07004	6.0
155.08485	22.0
157.10091	20.0
159.07976	4.5
159.11635	26.1
161.09570	6.6
161.13239	9.2
163.03851	10.6
165.01865	5.0
165.06908	4.7
167.03415	5.4
167.08566	8.8
168.09386	5.6
169.10056	19.3
171.07968	5.0
171.11668	17.2
173.09615	7.0
173.13202	11.7
175.03870	9.7
179.08502	4.8
180.09412	4.5
181.10046	14.9
183.11739	19.2
185.13297	10.2
187.11076	6.1
187.14861	4.8
189.05447	5.0
189.11108	4.3
193.04880	4.8
193.10046	8.4
195.11688	12.5
197.09569	7.1
197.13158	18.3
199.11150	6.3
199.14790	10.6
201.09216	4.5
203.08636	5.0
207.11732	5.8
209.13242	9.7
211.07634	5.3
211.11075	4.9
211.14731	8.4
213.16466	6.3
221.13205	6.5
223.11118	6.6
223.14742	7.2
225.16408	4.3
227.12733	7.2
233.13152	5.6
237.12898	4.1
246.13782	4.2
256.26419	4.4
269.14914	4.2
289.10718	4.8
303.12195	5.9
303.23154	6.4
321.13300	10.0
325.21567	4.7
349.12823	4.7
356.82504	4.1
363.25275	6.3
415.29535	6.1
433.30807	6.6
507.34464	8.4
525.35657	25.8
526.36200	16.1
539.32208	5.5
565.34503	6.9
573.32123	8.2
591.32935	15.9
609.33771	14.0
647.35187	6.5
648.60291	4.6
665.36707	15.6
683.37756	43.3
701.38666	100.0
702.38501	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	701.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.3
55.05501	0.8
61.86021	0.2
62.21198	0.2
65.25626	0.3
67.05489	1.1
69.07069	0.6
69.43664	2.2
79.05489	1.3
81.03425	0.4
81.07031	1.2
83.08608	0.5
91.05461	0.9
93.07027	0.8
95.01289	0.3
95.08591	0.8
97.02885	0.3
97.10144	0.6
105.07036	0.7
107.08581	0.7
109.10136	0.5
117.07002	0.4
119.08567	0.5
120.83929	0.3
121.10168	0.3
123.08057	0.4
129.07065	0.4
131.08586	0.6
142.47316	0.3
143.08533	0.5
145.10054	0.3
147.04330	0.3
147.11685	0.4
155.08615	0.3
159.11678	0.4
167.08482	0.2
169.10139	0.4
173.22600	0.3
185.04164	0.7
203.05235	1.4
259.07861	1.7
269.11865	0.3
282.14456	0.3
321.22739	0.6
347.09470	0.9
365.10464	3.2
421.13287	0.8
539.31787	17.2
540.32086	1.4
665.36487	0.3
683.37781	0.4
701.37061	100.0
702.37494	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	697.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58774	0.3
51.14476	0.4
53.03950	0.5
55.01860	0.4
55.05495	1.1
57.03436	2.1
59.93725	0.4
60.98433	0.3
61.02704	0.3
61.02926	3.7
67.05501	3.1
69.03423	2.3
69.07055	0.4
69.09892	0.4
70.06592	0.6
71.04968	0.7
71.52650	0.5
73.02914	2.7
74.22978	0.3
74.26366	0.3
74.78717	0.3
79.05485	2.6
81.03414	5.8
81.07044	3.5
83.04971	1.3
83.08599	1.8
85.02902	6.7
86.09705	0.7
91.03943	2.2
91.05475	5.0
93.07032	1.9
95.04947	1.9
95.08601	1.1
97.02888	4.0
97.06547	0.7
99.04468	0.9
101.02393	1.2
103.03971	0.5
104.10723	0.6
105.07022	3.2
107.04951	1.4
107.08602	1.1
108.02737	0.4
109.02871	1.1
109.06502	0.8
109.10210	0.5
111.04445	0.5
111.08080	0.7
115.03880	0.4
117.07046	0.6
119.04945	1.2
119.08611	1.9
121.06508	0.4
121.10149	1.2
123.08012	0.6
124.40906	0.4
127.03909	1.9
129.07005	1.3
131.08600	1.2
133.06468	0.4
133.10147	1.8
135.77377	0.4
137.05974	0.6
145.04971	0.7
145.10161	0.6
147.04417	3.1
147.07964	0.4
147.11703	1.9
148.04819	0.4
149.09630	0.8
153.01750	0.6
157.10141	1.8
158.10413	0.4
163.03940	1.7
175.11250	1.2
177.05444	0.6
177.88361	0.4
184.07336	0.8
193.12189	2.2
211.13301	1.1
243.08461	1.6
251.12625	1.8
255.06677	1.2
285.16907	0.7
287.05478	2.6
301.07120	1.4
305.08243	0.5
307.15002	0.9
316.09512	1.3
369.13382	1.6
373.09897	0.4
469.20419	13.4
533.13855	0.7
535.30719	0.6
697.33948	100.0
698.34308	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	698.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01860	1.3
55.05505	26.9
57.03442	9.5
57.07065	17.0
59.04991	1.4
61.02919	23.4
67.05496	37.6
69.03413	4.1
69.07061	48.6
70.43101	3.1
71.04971	3.3
71.08636	9.7
73.02903	8.1
75.04465	3.0
75.51949	1.5
79.05483	14.8
81.07046	48.2
83.08153	2.6
83.08612	37.6
85.02896	30.6
85.06541	3.1
85.10167	5.1
91.03941	25.7
91.05446	3.0
93.07036	23.7
95.04941	1.9
95.08597	46.7
97.02889	14.6
97.05996	1.2
97.06519	8.2
97.10160	28.9
99.04449	2.7
99.08083	1.6
105.07034	2.6
107.08585	19.4
109.06527	1.4
109.10145	23.7
111.08079	6.4
111.11713	8.2
119.08573	2.3
120.43236	1.4
121.10133	39.7
123.11709	9.8
125.09621	3.8
125.13267	1.5
127.03899	7.6
132.71039	1.3
135.11679	32.6
136.06154	10.1
137.13249	3.4
139.11133	2.6
143.10681	2.2
145.04953	10.3
149.13222	12.9
151.14825	4.5
153.12755	3.5
163.05984	18.0
163.14825	5.7
164.58508	1.8
165.16382	4.7
177.16344	3.1
191.17867	2.0
240.02515	1.5
247.24181	38.6
265.25235	96.7
266.25552	3.8
283.26306	19.8
293.32898	1.7
315.94485	1.6
339.28912	100.0
340.29367	3.8
357.29941	47.2
501.34152	4.6
544.85480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.0
53.03929	3.5
55.01865	5.8
57.03422	4.1
61.02903	1.3
67.94432	1.1
69.03419	10.1
69.46178	8.4
70.06570	5.3
71.01334	1.4
71.04966	4.5
72.08131	1.1
73.02898	5.5
78.20310	0.9
81.03407	16.1
84.04469	1.4
84.28854	0.9
85.02893	20.7
86.09682	2.4
90.26245	1.0
91.05464	5.1
95.04910	1.5
97.02876	66.3
99.00793	16.9
99.04441	25.4
99.05069	0.7
101.02374	1.7
107.04943	28.2
109.02863	100.0
117.01823	3.7
119.04915	11.8
121.06445	1.3
123.04400	2.4
125.05966	1.1
127.03898	34.1
131.04875	1.8
135.04431	2.1
135.30174	1.0
137.02333	1.3
137.05934	6.3
139.03880	2.0
145.02931	5.7
145.04948	32.3
145.06268	2.2
147.04388	54.9
148.04768	1.3
149.05966	2.7
151.03923	2.3
155.08508	2.1
163.03926	2.8
165.05458	5.8
165.06981	7.5
175.07503	1.8
177.05498	5.7
181.06506	1.1
183.08020	13.4
191.06850	1.2
199.86757	1.2
201.05424	1.1
207.08049	4.2
211.07497	15.9
212.08160	1.1
228.07779	7.9
229.04918	1.3
234.06947	1.2
235.07535	7.4
242.09282	6.4
243.04984	7.2
243.10120	22.5
247.05916	8.7
248.06271	5.4
253.08531	1.3
261.06030	63.8
262.06265	2.6
263.06995	6.3
267.10159	4.1
277.08597	2.6
280.07324	2.0
287.05423	1.7
288.06061	1.3
295.09586	13.2
305.08093	1.2
309.09589	24.6
323.09119	15.2
339.10776	1.7
341.10138	27.6
359.11188	6.0
409.09097	2.6
410.09393	3.0
485.14185	1.5
486.13876	1.3
503.15265	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	697.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11874	2.1
52.68808	2.9
53.03917	4.7
54.42940	2.2
55.01858	10.3
57.03420	6.1
60.14936	2.4
60.51521	1.9
61.02921	4.7
65.03934	4.4
66.13203	2.3
67.05495	2.9
68.99768	3.8
69.03427	12.8
69.07039	3.8
70.06568	8.1
71.04973	2.9
71.52834	2.6
73.02901	5.9
79.05450	5.2
81.03411	11.7
81.07027	6.1
83.01318	4.8
83.04942	5.3
85.02895	56.7
86.09679	3.5
91.03938	3.4
91.05448	6.4
93.03381	15.6
93.07014	2.7
95.04969	5.3
97.02878	18.0
98.09677	3.1
99.04404	2.6
100.11193	4.4
103.03909	9.0
107.04934	25.9
109.02869	19.6
111.04435	17.8
112.65318	2.3
114.44429	2.2
117.03372	3.3
119.04924	8.2
119.08517	4.2
121.02838	10.8
121.06503	4.5
123.04410	89.6
127.03920	11.8
131.04916	5.8
133.02856	3.3
135.04395	45.3
137.02303	9.5
137.06058	2.3
139.03880	33.7
141.01831	5.2
145.02827	6.3
145.04907	3.9
147.04381	19.6
149.02307	3.4
149.05940	6.8
151.03857	21.1
153.01816	7.2
153.05431	4.1
159.04369	4.0
161.02284	5.3
161.05959	9.5
163.03879	20.9
165.01823	33.0
167.03355	2.6
167.07120	3.0
168.47998	2.2
173.05876	2.7
175.03908	7.1
177.01784	11.2
177.05457	18.2
179.03362	8.1
181.04915	25.2
182.15309	4.1
183.02888	27.2
183.04344	3.9
184.07326	4.0
187.03741	3.6
189.01842	4.0
189.05447	6.4
191.03340	7.4
191.07077	2.9
193.04984	2.9
195.02858	53.7
201.05467	4.5
203.03322	21.4
205.04927	21.7
207.02870	61.1
209.04431	3.9
211.04031	2.4
215.03340	4.0
217.04950	7.7
219.02873	6.9
220.82520	2.5
221.04393	13.5
221.07977	4.1
223.02304	4.8
223.07510	3.0
225.03896	65.8
225.06033	4.4
227.03294	4.7
229.04884	9.7
231.02849	45.2
233.04381	5.9
233.08095	16.2
237.03979	11.8
241.04996	3.2
241.46590	2.6
243.02858	7.8
245.04288	6.7
245.08034	3.1
247.06026	10.4
249.03885	38.7
251.09145	4.7
255.02808	5.2
257.04428	6.3
261.03836	14.1
263.09140	31.6
267.06485	4.0
271.05994	3.2
273.03885	23.8
283.05936	9.2
285.07483	4.4
287.05466	28.2
287.09058	19.1
291.04840	17.5
295.05945	8.5
299.05490	7.5
309.06323	3.3
311.05353	38.9
311.08502	3.8
313.07040	11.0
317.06473	33.4
317.10135	10.1
323.05405	8.7
329.06461	16.6
329.10165	5.9
331.08014	3.1
337.06998	4.9
341.06348	11.9
347.11145	7.2
359.07574	91.1
360.07648	3.5
365.06888	4.5
365.12274	58.1
373.12784	11.8
379.07880	2.7
383.07629	61.7
383.12936	10.1
395.07562	10.4
397.12900	5.0
407.07642	4.7
413.08566	42.5
415.13824	23.3
425.08603	31.1
443.09726	29.7
461.10709	100.0
479.11807	36.8
499.16025	3.2
517.16711	4.2
535.18341	6.3
641.16766	6.0
697.23389	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	697.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56701	0.1
53.03930	0.2
53.05349	0.1
55.01864	0.2
55.05488	0.1
56.99590	0.1
57.03414	0.2
61.02924	0.2
67.01864	0.4
68.99767	0.4
69.03426	1.2
69.36955	0.1
70.06586	0.8
71.01337	0.1
71.04987	0.1
71.52699	0.2
72.08132	0.4
73.02902	0.1
76.42960	0.1
79.05493	0.1
81.03418	1.0
83.04977	0.1
84.04513	0.1
85.02898	2.3
86.09677	0.1
87.00795	0.4
89.03870	0.1
97.02884	1.0
97.07532	0.1
99.04440	0.3
100.11227	0.4
101.07129	0.1
103.03920	0.1
105.01850	0.5
107.04959	0.2
109.02876	1.0
110.07186	0.1
111.00818	0.1
111.04427	0.1
117.03373	0.2
120.08083	0.1
123.04386	0.2
127.03906	1.7
129.01817	0.3
135.04401	1.4
137.02333	0.6
138.89503	0.1
145.02762	0.1
145.04961	0.6
147.02852	0.2
147.04387	0.3
149.07385	0.4
151.03877	0.2
153.01817	4.0
159.02878	0.5
161.02292	0.7
163.03885	0.2
167.07014	0.1
171.02885	0.8
177.05449	0.3
179.03384	0.4
185.05962	0.1
189.05414	0.1
201.05496	0.1
203.03259	0.1
210.14827	0.3
210.91786	0.1
219.06535	0.1
231.04831	0.5
241.04855	0.6
245.04352	0.2
249.05847	0.1
255.06584	0.2
257.69775	0.1
259.06012	0.2
261.12704	0.2
263.05368	0.1
269.04507	0.4
283.14124	0.2
286.04663	0.1
287.05469	100.0
288.05792	1.9
303.05020	0.2
329.06558	0.3
369.13406	0.1
383.14642	0.2
401.15833	0.1
414.23404	0.5
449.10721	0.7
517.10596	0.1
535.10742	2.1
567.40735	0.1
595.24664	0.1
611.15814	0.3
677.27753	0.1
697.16089	0.8
697.51892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1602
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
57.46975	0.1
58.54269	0.1
60.92968	0.1
64.62057	0.1
67.01829	0.3
68.99768	0.2
69.03382	0.2
69.20978	0.8
70.06558	0.1
81.03379	0.2
82.36715	0.1
83.66162	0.1
84.08105	0.1
85.02847	0.2
86.09697	0.1
89.03884	0.1
95.04874	0.1
97.02865	0.2
107.04919	0.1
109.02827	0.2
117.03307	0.1
121.24745	0.1
123.04362	0.1
125.25854	0.1
127.03863	0.2
129.01799	0.1
134.07440	0.1
135.04396	0.9
136.07544	0.1
137.02299	0.3
139.08646	0.1
147.04317	0.1
151.03806	0.1
153.01816	2.7
161.02324	0.3
163.03862	0.3
167.19966	0.1
171.02859	0.6
177.05351	0.1
179.03415	0.1
203.03368	0.1
207.06398	0.1
213.05357	0.2
213.12599	0.1
217.04861	0.1
241.04822	0.4
245.04414	0.2
259.06049	0.1
263.05585	0.1
263.14917	0.1
269.04382	0.3
287.05463	100.0
288.05789	1.8
299.05502	0.1
314.70609	0.1
329.06537	0.2
449.10757	13.6
450.11111	0.2
491.11676	0.3
517.09796	0.2
535.10785	5.2
536.10529	0.1
557.69202	0.1
611.15826	1.0
679.15039	0.2
680.91150	0.1
696.36841	0.1
697.16010	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	695.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.3
55.01866	0.6
57.03424	0.4
60.00084	0.1
61.02918	0.9
68.52799	0.1
68.99776	0.2
69.03423	2.5
69.03773	0.1
69.46347	0.6
71.04943	0.2
73.02866	0.3
81.03403	1.0
83.01282	0.2
85.02893	5.3
86.09660	0.1
87.04404	0.3
91.03944	0.4
97.02882	2.0
99.04398	0.3
106.79965	0.1
109.02854	0.7
109.64026	0.1
114.54414	0.1
117.03347	0.1
120.08055	0.2
121.02832	0.1
122.53868	0.1
123.00837	0.2
123.04372	0.2
127.03901	1.1
128.21030	0.1
137.02318	4.0
137.03316	0.1
139.03833	0.1
139.05409	0.1
141.00769	0.1
141.01802	1.9
145.02762	0.1
145.04945	0.8
147.04352	0.2
149.02271	0.2
149.05937	0.1
151.03857	0.2
151.19604	0.1
161.05887	0.1
163.03862	1.2
165.01820	1.9
171.04321	0.2
173.05855	0.1
177.01767	0.2
177.05338	0.2
179.03336	0.1
183.02861	1.5
185.05925	0.3
187.03835	0.3
189.05405	0.1
199.03854	0.1
213.05426	0.8
215.03331	0.1
215.24750	0.1
217.04886	0.7
219.02679	0.2
227.03384	0.1
231.06558	0.2
233.99570	0.1
241.04933	1.4
259.05960	0.6
269.04468	0.3
287.05493	0.7
303.04984	0.8
315.04926	100.0
316.05280	2.3
317.06274	0.1
335.24796	0.1
371.11206	29.3
372.11490	0.6
477.10385	0.3
533.16443	2.4
544.43921	0.1
637.75677	0.1
695.50580	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34828	0.3
53.03903	1.3
54.25797	0.3
54.57131	0.4
54.95542	0.3
55.01833	1.2
57.03431	2.3
58.42702	0.3
61.02927	3.2
64.23962	0.3
65.54025	0.3
68.05041	0.3
69.03424	7.7
69.07043	0.4
70.06545	0.8
70.77504	0.9
71.01319	0.5
71.04942	1.3
71.05313	0.4
73.02866	1.3
79.05444	0.6
81.03408	6.0
81.07014	0.5
83.01299	0.5
85.02895	18.7
86.09660	0.4
87.04429	0.8
91.03926	0.9
91.05443	0.5
93.03373	0.7
95.04945	0.8
97.02884	8.4
99.04390	1.2
103.03883	0.5
107.04914	0.7
107.18164	0.3
109.02868	3.8
113.02312	0.7
117.03326	0.7
117.56440	0.3
119.04907	0.6
121.02833	0.7
123.04382	1.2
127.03897	4.1
131.04901	0.7
135.04352	1.0
137.02328	21.7
137.03378	1.1
138.55930	0.3
141.01738	0.5
145.02771	1.4
145.04898	1.6
147.04376	1.2
149.02249	0.5
149.05925	0.6
151.03871	1.0
155.03336	0.4
160.05220	0.3
161.02316	0.5
161.05875	0.4
163.03882	3.2
169.06367	0.4
171.04376	0.6
175.03943	2.1
175.07510	0.4
177.01826	0.6
177.05389	1.6
179.03365	0.8
181.06419	0.6
185.05957	0.5
187.03825	0.4
189.05348	0.9
195.02867	4.7
197.05963	0.9
199.03877	0.4
201.05466	0.5
203.03372	2.8
207.02875	1.2
215.03346	0.5
217.04890	1.6
217.75549	0.3
221.04443	1.8
223.07523	0.8
225.05582	1.8
227.06931	0.7
229.04984	0.7
237.05521	0.5
241.04890	0.8
245.04453	0.6
245.55969	0.4
251.06998	1.6
253.04860	2.1
254.05692	1.9
255.06337	1.1
257.04395	0.4
259.81543	0.4
265.08664	0.4
271.05966	0.6
272.06802	0.8
279.06436	0.9
285.03976	0.5
286.04660	1.5
287.05450	0.6
297.07721	0.4
299.05527	2.7
300.06268	3.9
301.06570	0.6
303.04956	1.8
311.05469	1.1
312.06171	0.5
313.03323	0.4
314.04211	4.0
315.04929	10.5
323.05518	0.6
324.06250	0.7
325.06909	0.6
327.04956	100.0
328.05658	9.4
329.06534	6.7
336.26492	0.5
339.05008	5.0
339.08636	0.8
340.05789	0.9
341.06473	3.9
343.04703	0.5
345.06134	0.6
352.05630	0.9
353.06552	14.7
353.10800	0.9
355.04416	0.6
357.05997	75.8
358.06470	2.1
365.06470	0.6
367.08145	10.3
368.08490	0.6
369.05765	1.0
369.09738	1.0
371.11200	3.6
377.06516	0.7
379.04150	0.5
381.06003	30.2
382.06161	1.0
383.11215	0.9
387.10834	4.0
393.05902	2.5
395.07159	2.4
395.11798	0.6
399.06906	0.5
411.07040	9.9
413.12271	21.1
414.12479	0.5
423.07086	13.6
424.07712	0.5
437.11969	0.9
441.08127	24.7
459.09180	60.2
460.09503	2.2
465.10065	0.9
477.10330	13.5
497.14279	1.7
515.15430	11.4
533.16473	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	694.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.05506	11.2
55.80537	1.2
56.51091	1.1
57.03437	6.3
57.07056	4.8
61.02921	31.7
65.03928	1.9
67.05498	62.2
69.03403	5.0
69.07063	11.6
71.04981	2.5
71.26324	3.2
73.02905	12.0
79.05480	33.2
81.03398	1.5
81.07048	71.9
82.79984	1.1
83.08609	7.1
85.02897	34.1
85.06535	2.7
87.82917	1.1
91.03416	2.2
91.03945	29.6
91.05472	20.1
93.07033	46.2
95.04966	3.1
95.08598	56.9
97.02879	15.5
97.06494	3.1
97.10164	3.6
99.04455	2.8
99.08087	2.2
105.07025	16.9
107.08586	30.1
108.08943	1.3
109.06498	2.4
109.10146	33.4
111.08066	2.2
115.03947	1.4
117.07013	7.1
119.08577	15.3
121.10133	32.4
123.11681	20.4
125.09620	1.6
127.03903	11.3
131.08545	16.2
133.10103	14.2
135.11674	28.9
137.09665	2.0
137.13206	6.4
139.11160	1.6
145.04958	15.5
145.10098	15.1
147.11679	12.2
149.09648	1.5
149.13232	20.5
151.11179	1.9
151.14804	2.5
153.12714	1.8
159.11687	15.0
161.13220	9.7
163.05988	24.9
163.14804	18.8
165.12723	2.8
165.16400	1.3
173.13235	18.1
173.24168	1.5
175.14778	2.7
177.16371	7.6
179.14264	3.5
187.14845	9.3
189.16479	1.3
201.16377	3.1
205.15794	1.6
215.17996	2.3
233.22566	2.5
243.21054	34.9
244.21484	1.8
261.22113	100.0
262.22357	2.0
279.23132	3.5
317.24612	1.4
335.25754	30.3
336.26089	1.9
353.26834	51.5
354.27124	1.6
463.43811	1.1
472.49759	1.3
497.30930	4.6
610.32764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03932	3.1
55.01861	5.9
55.05505	32.5
57.03422	18.4
57.07071	3.2
59.04997	5.1
61.02913	9.0
62.53210	0.8
65.03920	3.1
67.05497	100.0
68.05846	0.8
68.30946	0.6
69.03412	4.8
69.07062	18.5
69.46208	2.1
69.46637	2.5
70.06632	0.6
71.01338	1.3
71.04984	5.8
73.02914	5.4
79.05482	37.9
80.05801	0.6
81.03407	15.3
81.07045	72.7
81.82025	0.8
82.07368	0.9
83.01337	1.1
83.04976	13.0
83.08611	22.1
85.02898	17.0
85.06547	5.1
87.04472	4.2
91.03953	3.2
91.05471	29.2
93.07032	42.9
95.04957	7.3
95.08596	23.1
97.02872	6.6
97.06516	11.0
97.10156	14.6
97.10779	0.8
99.04450	1.2
99.08087	2.3
101.02398	0.7
103.03941	1.5
103.05488	0.6
105.07016	12.5
107.04940	4.7
107.08582	27.5
109.06493	3.0
109.10143	53.3
110.10472	0.7
111.04456	1.8
111.08060	7.9
113.06022	1.3
113.35021	0.6
115.05392	0.6
116.04671	0.6
117.07008	9.0
119.08565	9.8
121.06506	2.8
121.10127	11.3
123.08091	2.7
123.11681	3.3
125.09609	14.6
127.03905	1.4
129.05466	6.1
129.07028	2.2
131.08554	10.3
133.10107	13.5
133.11082	0.9
135.08061	2.3
135.11667	10.8
137.09612	3.5
139.11180	0.8
142.07852	0.7
143.07004	0.9
143.08594	0.7
143.10686	2.3
145.10104	4.5
147.07967	1.0
147.11682	4.1
149.09618	1.9
149.13245	12.6
151.11206	1.6
153.12740	3.4
155.08580	0.8
155.10677	2.8
157.08725	0.9
157.10150	1.8
159.11661	7.8
163.11171	8.1
165.12750	2.5
167.14334	1.0
171.06564	0.8
171.11749	0.6
173.09662	2.0
173.11723	18.1
173.13184	1.3
175.11224	1.6
177.12733	4.8
181.12247	2.1
185.11757	0.9
189.11214	1.4
191.10707	2.7
193.12253	4.3
195.13783	14.7
199.13290	7.7
209.11674	7.1
211.13214	3.5
213.14870	2.5
224.93521	0.7
227.12730	7.9
229.14313	47.3
230.14726	0.9
239.16315	3.0
257.13959	2.0
265.14307	1.1
267.15915	7.8
269.17450	56.5
270.17816	0.8
283.15292	4.9
285.17023	1.6
297.17023	1.1
301.16418	16.2
313.16437	0.8
323.18610	0.7
333.30200	0.6
357.24240	0.7
393.26602	2.8
411.27286	6.4
422.26810	1.1
423.27380	29.3
424.27637	1.3
431.27979	1.5
463.30502	0.9
477.28531	2.3
495.29462	52.3
496.29849	1.9
513.30554	24.3
514.30872	1.5
654.46680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18782	0.8
51.81271	0.9
53.03934	3.9
55.01864	7.6
55.05505	38.0
57.03424	21.8
57.07067	1.9
59.04993	3.2
61.02919	9.4
61.99949	0.9
65.03931	3.0
67.05496	100.0
69.03416	4.9
69.07059	20.2
71.01341	1.3
71.04411	2.7
71.04974	8.0
73.02908	6.9
73.43334	0.8
78.74313	0.9
79.05013	2.1
79.05482	38.3
81.03413	13.4
81.07046	77.0
83.01340	1.1
83.04971	10.0
83.08146	1.8
83.08609	21.4
85.02894	18.6
85.06536	5.0
87.04005	1.1
87.04453	5.8
91.03960	4.1
91.05469	29.8
91.06021	1.7
93.07031	44.3
95.04966	8.7
95.08591	23.9
97.02884	8.7
97.04321	1.1
97.06517	10.8
97.10147	12.8
99.08076	1.4
103.03946	1.7
105.07027	11.8
107.04934	4.1
107.08585	27.5
109.06516	3.7
109.10141	53.8
110.10400	1.2
111.04441	2.6
111.08078	7.4
116.04720	1.2
117.06989	8.8
119.04996	1.1
119.08577	10.5
121.06510	3.3
121.10123	12.1
123.08075	2.7
123.11725	4.0
125.09616	14.2
127.03909	1.6
129.05458	5.5
129.06998	2.1
131.08537	6.4
133.10109	13.7
135.08052	2.7
135.11671	10.7
137.09631	3.0
143.07010	1.0
143.10657	2.6
145.04976	1.2
145.10078	6.3
147.08023	1.8
147.11639	4.8
149.09654	1.8
149.13223	13.4
151.11157	2.7
153.12712	4.3
155.10612	2.5
157.10161	1.9
159.11678	8.1
163.11148	7.4
165.12767	3.8
173.09502	1.6
173.11713	16.0
175.11182	1.5
175.72653	1.1
177.12753	3.9
181.12233	4.2
184.07312	1.3
185.11812	0.9
189.11139	1.5
191.10609	3.4
193.12224	5.1
195.13786	14.2
199.13290	8.2
209.11699	7.2
211.13271	2.8
213.14806	1.7
225.49326	1.0
227.12743	9.1
229.14320	51.0
239.16379	3.0
257.13907	1.5
267.15842	9.2
269.17444	54.0
283.15366	6.5
285.16934	1.4
297.17068	1.4
301.16422	16.9
357.23898	1.8
393.26248	2.2
411.27399	5.9
423.27313	29.5
428.22290	1.0
477.28827	1.3
495.29453	51.1
496.29779	1.5
496.78101	1.0
513.30597	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.9
53.03938	0.5
53.81623	0.3
55.01867	0.9
55.05492	0.5
57.03422	0.4
59.01356	0.3
63.02374	0.5
64.86426	0.2
65.03930	0.4
65.60570	0.2
67.05487	0.7
68.15800	0.2
69.03424	1.8
70.06579	0.3
70.30780	0.5
70.31168	0.7
71.01353	0.3
71.04978	0.9
79.05464	0.6
81.03410	5.7
81.07053	0.5
85.02897	17.8
86.03232	0.4
89.03412	0.2
89.03908	5.2
89.12573	0.2
91.05451	1.6
91.81989	0.2
93.07056	0.3
93.97986	0.3
95.04955	0.8
95.08542	0.4
97.02895	1.4
98.20831	0.4
99.00809	2.2
99.04445	3.5
104.75607	0.3
105.06997	0.5
106.04076	0.3
107.04947	3.2
107.08597	0.3
109.02880	3.8
113.02354	100.0
114.02684	0.9
117.03368	12.7
119.04932	1.1
119.08484	0.4
121.02850	1.0
121.10120	0.3
127.03904	6.4
129.07018	0.3
133.10144	0.3
134.03618	0.8
135.04437	1.6
137.05913	0.4
139.03851	0.3
145.02831	32.5
146.03149	0.5
147.04395	2.9
149.05960	5.1
157.06458	0.4
158.05981	0.5
163.03870	0.5
175.03929	0.3
177.05453	62.1
178.05826	1.4
181.05014	0.3
181.06462	1.2
183.08038	0.5
186.05518	1.6
189.05371	0.3
190.96173	0.3
195.06506	1.0
199.07524	0.7
201.05376	0.3
207.06355	0.4
207.08047	1.5
209.05978	0.5
211.07555	0.6
225.03929	0.3
227.06865	0.3
234.06700	0.5
235.07542	3.3
239.05574	0.3
242.09351	7.6
243.10033	0.8
245.11797	0.5
249.07420	2.0
252.07918	0.4
253.08926	0.3
262.06165	0.6
263.06976	2.2
267.10049	2.4
267.15814	1.1
268.16397	0.7
277.08542	0.7
280.07410	0.5
287.05502	0.4
291.06403	0.6
295.09641	6.9
301.06964	0.5
305.07965	1.2
313.07114	1.7
321.09708	2.6
323.09094	4.9
329.06631	0.3
355.11697	3.7
367.22308	0.3
369.13809	0.4
419.09583	4.0
451.12332	2.3
459.27274	0.4
460.27759	0.7
477.28607	0.5
478.28476	1.0
523.70087	0.4
693.38855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52038	1.0
53.00299	1.1
53.03933	4.4
54.19236	1.0
55.01852	3.7
55.05507	16.7
57.03430	14.0
60.45316	0.9
61.02914	2.9
65.03927	1.7
67.05499	26.3
69.03420	7.0
69.07058	7.6
69.40462	8.2
71.01346	1.1
71.04987	6.0
78.87899	1.0
79.05021	1.1
79.05485	25.9
81.03410	90.5
81.07049	32.7
82.03728	1.9
83.04977	19.3
83.08612	33.2
83.67126	1.0
85.02897	37.3
85.06528	2.4
86.09698	1.6
89.03905	4.2
91.05473	35.5
93.07037	22.3
95.04957	34.4
95.08601	10.6
97.02888	6.4
97.06526	5.5
97.10153	5.5
99.04467	1.2
99.08057	2.3
102.96455	1.1
105.07024	26.0
107.04945	9.0
107.08598	10.5
109.02863	3.1
109.06513	7.0
109.10151	3.8
109.54940	1.0
111.04438	3.1
111.08074	12.3
113.02357	26.7
113.05986	3.2
115.05441	2.4
117.03370	11.7
117.06988	2.3
119.04980	2.0
119.08567	26.2
121.06487	4.2
121.10127	12.4
123.08055	2.9
123.11605	2.4
125.09622	1.9
127.03904	2.5
127.07535	1.3
129.07001	12.3
131.08554	15.6
133.06500	4.0
133.10107	14.1
135.08009	1.1
135.11679	1.2
137.05959	1.3
137.09630	1.9
142.07779	2.7
145.02834	22.4
145.10101	3.5
146.03180	2.9
147.04407	2.7
147.08054	4.2
147.11682	21.1
149.05991	3.6
149.09599	8.1
157.10115	19.9
163.11249	1.2
165.12727	4.0
175.11172	19.9
177.05444	44.9
178.05798	8.0
184.07365	2.2
185.51491	1.1
193.12230	62.4
194.12543	1.4
201.05469	1.4
211.13269	80.5
212.13586	2.8
227.12807	1.3
234.06714	1.2
235.07295	1.1
239.28580	1.3
242.09346	1.7
249.14883	1.2
262.06366	1.4
267.15887	33.3
268.16260	1.0
283.15326	1.3
285.16943	76.6
286.17300	3.1
295.09930	1.2
305.07956	1.5
323.09323	2.3
337.10623	3.5
349.21674	1.4
355.11722	2.0
365.58685	1.2
367.22540	2.8
368.03918	1.1
385.23654	3.4
403.24936	2.4
441.25815	1.6
451.12439	1.3
459.21207	1.9
459.27399	27.6
460.27838	1.5
477.28467	39.6
478.28854	1.9
495.29480	100.0
496.29785	7.1
552.28406	1.2
675.51855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01857	3.8
55.05506	19.9
57.03159	1.0
57.03429	16.3
57.07065	1.1
59.04980	1.4
61.02916	5.5
65.03915	1.4
67.05499	28.6
69.03424	7.0
69.03753	1.3
69.07061	7.2
71.04987	6.5
73.02894	2.4
79.05015	1.2
79.05482	30.6
81.03410	88.4
81.07048	37.4
83.04971	24.6
83.08610	30.9
85.02900	32.0
85.06525	2.9
88.52162	1.0
91.03938	2.8
91.05473	40.6
93.07037	22.0
95.04952	36.6
95.08595	13.1
97.02876	7.1
97.06531	5.6
97.10162	5.6
97.28149	0.9
98.20789	1.6
99.04411	1.1
99.08139	1.4
103.46085	0.9
105.07021	27.3
107.04945	9.3
107.08582	8.3
109.06507	7.5
109.10129	2.7
111.04444	3.4
111.08068	14.5
113.06000	3.6
115.05426	1.8
117.07011	2.7
119.04922	1.7
119.08571	26.8
121.06483	3.0
121.10141	11.9
123.08043	3.9
123.11715	1.4
125.09605	3.0
128.06277	1.4
129.06976	13.3
131.08554	16.2
133.06468	4.0
133.10124	14.2
135.08028	1.1
135.11700	1.3
137.06021	1.2
137.09621	3.5
142.07744	3.1
145.02843	2.8
145.10120	2.7
147.04390	4.9
147.08015	4.5
147.11664	22.4
149.09598	8.4
153.08961	0.9
157.10114	21.5
163.11119	1.4
165.12735	4.5
175.11177	20.8
177.05458	7.1
178.05786	1.2
184.07362	1.7
185.72707	1.2
189.11111	1.3
193.12228	63.9
194.12575	1.4
211.13266	100.0
212.13609	1.3
242.05431	1.0
243.13696	1.0
267.15900	34.3
285.16946	83.6
360.03201	1.2
367.22699	2.4
385.23663	4.4
403.24863	1.2
426.71378	1.0
433.25647	1.8
457.10648	1.0
459.27350	21.3
460.27832	1.9
477.28375	27.2
478.28735	1.2
495.29510	70.4
496.29825	2.4
529.75140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
55.01858	4.4
55.05504	28.8
57.03428	9.7
57.07068	3.1
61.02935	1.6
65.03922	4.6
67.05495	84.7
69.03418	30.3
69.07063	25.2
71.01326	1.7
71.04991	10.9
73.02900	2.6
79.05482	60.0
80.05811	2.0
81.02926	2.9
81.03409	62.1
81.07045	100.0
82.07360	1.6
83.04974	20.9
83.08613	14.5
85.02896	10.8
85.06541	7.2
91.05473	43.8
92.05788	1.5
93.07030	66.7
95.04971	14.1
95.08598	49.1
97.02883	20.1
97.06507	10.8
97.10156	5.9
98.21468	3.1
98.37888	1.2
99.04452	8.6
99.08081	3.8
103.03926	1.6
103.83170	1.4
105.07010	30.1
107.04922	3.8
107.08584	33.8
108.08949	1.5
109.02882	9.5
109.06519	5.4
109.10147	18.4
111.04420	10.1
111.08076	4.3
115.05399	2.5
117.06996	13.7
119.08564	22.3
121.06485	4.6
121.10130	24.7
123.08067	4.1
123.11670	10.9
125.09633	1.9
127.03899	11.3
129.05486	12.3
129.06990	7.5
131.08553	20.8
133.06508	1.8
133.10104	22.6
135.08046	2.7
135.11673	18.8
137.05971	2.2
137.09605	1.7
139.07521	1.7
139.11131	3.3
143.08527	6.3
145.06442	2.4
145.10092	13.4
147.08051	2.5
147.11652	16.4
149.09557	2.5
149.13229	20.1
149.33760	1.3
151.11150	1.9
153.09039	1.7
155.08528	2.9
157.10147	7.4
159.08043	2.4
159.11674	21.3
161.09662	1.5
161.13193	6.9
163.11111	1.6
163.14923	2.3
165.12711	5.2
169.10129	3.7
171.11668	4.2
173.04425	18.9
173.09641	2.6
173.13206	5.7
175.11095	3.1
175.14828	2.9
177.12726	11.2
179.14304	1.4
181.09996	1.5
183.11607	2.8
184.07294	3.3
185.13266	2.3
187.13213	4.1
187.14842	4.4
193.12137	3.5
195.11882	2.3
195.13773	13.7
197.13240	1.4
199.11162	2.9
199.14902	1.9
203.12637	1.9
209.11699	4.4
211.14883	1.8
213.14763	4.5
219.13789	1.9
239.14323	1.7
241.14240	1.9
243.15874	6.2
259.20712	2.3
261.22104	5.8
267.15866	4.2
269.17456	15.5
301.21509	2.3
315.23224	1.4
317.24628	2.7
321.16696	2.7
327.22842	1.7
335.25763	19.8
337.27032	3.4
339.17938	5.7
351.23004	3.4
369.24182	5.7
387.25293	3.1
405.26239	2.4
413.21735	8.0
443.28052	2.1
461.28635	3.1
499.81683	1.7
503.37268	23.8
504.37039	2.3
519.36713	5.4
529.38898	13.7
547.39685	3.3
613.40118	1.9
655.41870	3.3
673.43243	10.3
691.44122	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47296	0.5
53.03938	1.1
55.01889	0.7
55.05501	2.5
57.03439	1.4
61.02924	5.1
67.05507	7.8
69.03424	2.6
69.07055	2.2
70.47637	1.4
70.48061	1.9
73.02904	3.8
74.07224	0.6
79.05489	4.2
81.03412	1.5
81.07047	4.4
81.45554	0.6
83.08628	1.0
85.02894	5.0
91.03934	3.0
91.05481	2.5
93.07049	3.8
95.04994	1.0
95.08585	4.0
97.02885	4.5
97.06530	0.7
98.98469	1.3
99.04470	1.5
101.02369	1.9
105.07019	1.5
107.08584	2.6
109.02869	0.9
109.10147	4.5
115.03938	0.8
117.06994	0.7
119.08590	1.5
121.10138	2.2
123.11727	0.6
126.67384	0.7
127.03941	2.3
131.08472	1.3
133.10149	1.1
135.11650	1.3
139.89871	0.6
145.10152	1.4
173.11760	1.2
184.07385	3.3
193.48616	0.6
195.09923	0.9
209.11746	0.9
243.08516	1.8
311.25592	1.3
335.25970	0.8
413.17606	3.6
519.29279	8.3
519.36902	2.2
595.53229	0.8
691.40155	100.0
692.40265	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01853	0.9
55.05499	2.6
57.03430	3.6
57.07065	0.7
61.02930	5.0
67.05500	12.9
69.03424	4.2
69.07056	2.4
70.70837	0.9
70.71197	1.4
71.04978	1.7
73.02908	5.4
79.05494	4.7
79.07439	0.6
81.03403	4.8
81.07051	7.4
83.04981	1.1
83.08621	2.3
85.02906	5.2
85.06529	1.2
91.03949	3.5
91.05477	4.8
93.07032	5.5
95.04967	1.8
95.08601	5.3
97.02885	5.2
97.06558	0.9
97.10146	1.1
98.98469	1.8
99.04462	0.8
101.02399	2.0
103.37919	0.5
105.07047	1.6
107.04917	0.8
107.08602	2.4
109.02881	1.0
109.10152	10.2
111.08100	0.7
117.07013	0.7
119.08588	2.2
121.10124	2.6
123.11700	0.6
127.03908	2.4
131.08572	1.5
133.10135	0.8
135.08086	0.7
135.11684	1.5
137.09610	1.2
145.10120	0.9
147.11716	0.8
149.13293	1.0
159.11728	0.7
163.11186	0.9
173.11751	2.7
187.69505	0.6
203.05130	0.8
229.08032	0.7
229.14413	1.7
243.08418	1.8
283.15463	0.9
311.25827	1.2
388.23056	0.6
395.32462	0.6
413.17831	10.3
519.29382	4.1
519.36865	2.6
691.40198	100.0
692.40833	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01862	0.2
55.05522	0.3
56.51798	0.1
57.03433	0.4
57.30880	0.1
62.01598	0.2
63.02333	0.6
67.01854	0.1
67.05496	0.8
69.07053	0.2
69.27807	1.1
69.28217	0.3
70.66861	0.1
78.04696	0.5
79.05489	0.8
81.03418	1.0
81.07039	0.8
83.04952	0.2
83.08603	0.4
85.02891	0.3
85.06520	0.1
89.03905	8.3
90.33082	0.1
91.05476	1.3
93.07019	0.9
95.04957	0.6
95.08601	0.5
97.02875	0.1
97.10150	0.2
98.20808	0.3
103.05448	0.3
105.07020	0.5
106.04180	0.2
107.04941	0.4
107.08581	0.4
109.02889	1.0
109.06534	0.2
109.10146	0.1
111.08069	0.3
117.03365	22.4
118.03654	0.2
119.04926	0.1
119.08559	0.4
121.06484	0.3
121.10101	0.4
121.17798	0.1
124.05201	0.5
127.03891	0.2
129.04530	0.1
129.07002	0.2
131.08572	0.2
133.06503	0.2
133.10130	0.4
134.03615	1.7
135.04414	1.8
135.08058	0.2
135.11649	0.7
137.06009	0.2
145.02826	51.4
145.10091	0.4
146.03128	0.7
147.04381	0.4
147.11674	0.3
149.05960	8.2
157.10028	0.2
158.05992	0.6
162.03123	0.2
163.03874	0.4
163.11145	0.9
163.70399	0.1
164.11491	0.2
167.65193	0.2
175.11275	0.1
177.05444	100.0
178.05788	1.2
181.12332	0.2
186.05489	2.4
188.80525	0.1
189.37103	0.1
190.24707	0.1
193.12218	0.5
194.12556	0.1
211.13298	0.7
215.06902	0.2
221.63400	0.1
227.12775	1.0
259.09485	0.2
267.15887	0.6
269.17508	0.2
272.10400	0.1
283.15396	0.8
284.15695	0.4
285.16946	0.4
288.46011	0.1
303.08527	1.0
366.66696	0.2
391.93280	0.1
447.27109	0.2
475.27042	0.3
476.27234	0.3
493.27805	1.3
494.28192	1.3
499.71600	0.1
688.54181	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	691.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.2
63.02378	0.5
65.07978	0.2
67.05490	0.6
69.07053	0.3
69.41753	1.7
73.21642	0.2
78.04704	0.6
79.05476	0.7
81.03401	0.8
81.07046	0.8
83.08633	0.3
84.69206	0.2
89.03903	8.3
91.05473	1.2
93.07036	0.5
95.04946	0.7
95.08591	0.4
98.20792	0.5
103.05441	0.5
105.03373	0.3
105.07019	0.6
106.04163	0.4
107.04945	0.3
107.08559	0.4
107.84133	0.2
109.02858	0.8
117.03361	24.8
118.03690	0.4
119.04923	0.2
119.08537	0.3
124.05159	0.3
127.03790	0.3
129.07001	0.2
131.08516	0.3
133.10136	0.2
134.03609	1.6
135.04396	1.7
145.02823	51.5
145.10150	0.3
146.03166	0.5
147.04367	0.5
149.05954	7.2
158.05972	0.5
162.03220	0.3
163.03946	0.4
166.22304	0.2
177.05441	100.0
178.05775	0.8
186.05479	2.7
193.12285	0.4
267.15869	0.2
269.17358	0.3
285.07495	0.2
303.08636	1.4
461.28793	0.4
535.14801	0.2
638.90173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
55.01882	0.1
63.02335	0.7
67.05495	0.2
69.30581	0.1
69.64996	0.8
78.04700	0.5
79.05476	0.3
81.03396	0.2
81.07056	0.1
83.05001	0.2
83.08616	0.1
83.18835	0.1
87.64887	0.1
89.03904	8.4
89.80386	0.1
91.05465	0.7
93.07026	0.3
95.04953	0.2
95.08601	0.2
98.21583	0.2
103.05436	0.4
105.06979	0.1
106.04145	0.6
107.04919	0.2
107.08588	0.2
109.02857	1.1
117.03364	22.4
118.03712	0.5
119.04933	0.3
119.08559	0.1
121.06495	0.2
121.10143	0.1
124.05222	0.3
124.42910	0.1
127.03912	0.2
131.36269	0.1
134.03618	1.9
135.04404	1.9
144.46146	0.1
145.02827	51.9
146.03152	1.1
147.04395	0.5
149.05962	8.1
158.06026	0.5
162.03075	0.3
163.03851	0.5
172.74759	0.1
177.05444	100.0
178.05803	1.9
186.05463	2.2
236.34459	0.1
259.09695	0.1
261.73038	0.1
268.28677	0.1
303.08594	1.1
309.50977	0.1
493.26984	0.2
506.00357	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	691.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75467	0.1
63.02086	0.2
63.02341	0.6
66.59569	0.1
69.22906	0.2
69.23314	1.2
70.02303	0.1
78.04289	0.1
78.04718	0.4
81.03413	0.2
85.71678	0.1
89.03905	8.1
91.05473	0.6
93.07052	0.1
95.04942	0.2
103.05463	0.2
106.04174	0.5
109.02850	0.8
117.03360	22.4
118.03697	0.3
119.04948	0.2
123.06409	0.1
124.05170	0.3
127.03890	0.2
134.03603	1.5
135.04391	1.5
145.02823	50.9
146.03110	1.0
149.05956	8.2
158.05997	0.5
162.03050	0.3
163.03905	0.5
177.05441	100.0
178.05797	2.0
186.05461	1.5
270.11612	0.1
303.08578	1.1
319.81458	0.1
355.07953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
53.40267	0.9
55.01859	3.5
55.05508	12.1
57.03430	6.3
57.07051	1.7
59.05005	1.0
60.04512	1.3
61.02914	4.9
65.03941	1.0
67.05497	35.3
69.03413	3.6
69.07053	7.3
71.04986	13.3
71.52652	1.3
71.53000	1.2
73.02913	1.8
79.05479	18.4
81.03407	32.9
81.07048	47.2
82.07365	1.1
83.04973	4.9
83.08607	11.1
85.02882	6.1
85.06514	3.6
86.09689	1.9
91.05466	18.5
93.07035	15.1
93.80302	0.8
95.04953	18.4
95.08591	11.6
97.02875	5.2
97.06499	3.2
97.10143	5.6
105.07011	17.4
107.04947	7.9
107.08582	11.4
109.02854	1.3
109.06492	8.4
109.10143	7.4
111.08054	3.5
117.07010	6.4
119.08571	10.5
121.06480	7.4
121.10117	5.9
123.04375	1.6
123.08059	1.9
123.11665	5.3
125.09615	4.1
127.03902	1.2
129.06985	6.4
131.08548	10.4
133.03436	3.1
133.06453	3.0
133.10121	10.7
135.08025	3.1
135.11671	3.1
137.09506	1.3
143.08560	2.9
145.06444	1.2
145.10080	4.5
147.04391	3.1
147.07968	3.7
147.11673	4.2
149.09608	2.5
149.13239	2.3
151.11162	4.6
157.10118	5.5
159.08026	1.6
159.11633	3.4
161.09525	1.2
163.11182	3.6
173.13281	2.8
175.04494	1.2
175.11194	4.2
177.05437	2.2
183.13817	1.2
184.07281	3.4
185.02963	1.2
187.13274	1.9
189.12817	1.1
191.14363	1.1
193.12253	6.9
199.14835	1.2
205.12152	1.2
219.13766	2.6
227.12920	1.6
233.15460	1.3
235.13342	1.6
245.15245	1.0
249.14861	1.8
257.17511	1.8
267.15872	16.7
269.17664	2.0
270.15692	1.5
275.16528	2.3
279.16153	1.8
301.14276	1.3
301.19962	6.4
303.21686	1.7
318.29913	1.6
321.22797	2.6
337.27658	1.1
343.22525	5.4
351.18259	11.5
351.68484	3.3
361.23532	1.3
369.24268	2.6
371.69635	1.2
387.25342	1.4
417.26279	10.1
425.26233	1.1
435.27362	31.5
436.27551	1.2
443.27780	10.6
461.28934	100.0
462.29266	2.2
493.31375	10.5
690.35657	2.5
718.67651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2068
Annotation	CHEBI:131769
Peak:m/z	Relative Intensity
53.03925	0.2
57.03399	0.3
61.02885	0.4
67.05447	0.2
69.03418	1.5
69.88033	0.9
71.04935	0.2
73.02871	0.5
76.34809	0.2
79.05453	0.3
81.03368	0.8
85.02893	1.6
86.09630	0.2
87.04418	0.3
91.05466	1.7
93.06984	0.2
95.04909	0.2
97.02886	1.1
99.04435	0.2
103.05412	0.4
105.03330	0.2
105.06960	0.5
107.04892	0.3
109.02799	0.3
117.03352	0.2
119.04918	2.4
121.06461	0.3
123.08017	0.2
124.05080	0.3
127.03889	0.4
131.04890	0.3
133.06464	0.3
135.04251	0.2
137.02225	0.2
137.05952	2.1
145.02769	0.6
147.04388	3.4
149.05951	0.9
151.03871	1.0
151.07549	1.5
152.08264	0.2
153.01805	8.2
154.02477	0.6
161.05911	0.9
162.06735	1.0
163.03816	0.2
163.07426	0.3
165.05409	0.5
177.05386	1.3
178.02478	0.6
179.05479	0.3
179.06998	4.8
180.07784	0.9
197.05968	0.2
201.05424	0.2
202.06190	0.2
211.75342	0.2
213.05424	2.3
229.04913	0.3
230.05760	0.3
241.04926	6.0
242.05696	2.7
243.02872	0.3
253.04962	0.2
255.06459	0.5
258.05191	3.3
269.04413	1.5
270.05182	10.8
271.02249	0.2
271.05865	0.3
273.03888	1.7
273.07507	1.6
283.05844	0.3
284.03186	0.3
285.03860	0.6
286.04681	3.8
287.05435	5.1
288.05869	0.3
298.04703	0.3
299.05472	1.5
301.03348	3.1
301.07019	2.0
302.04160	3.6
311.05438	0.4
313.03333	1.2
314.04120	0.6
314.07666	0.2
315.04935	45.2
316.05649	5.4
317.05872	0.2
327.08640	0.3
329.06497	50.3
330.06860	1.6
331.08063	100.0
332.08429	2.5
373.09201	0.9
459.10513	1.5
479.13333	0.7
491.13531	0.6
509.14389	0.6
527.15430	1.2
689.19708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01860	4.5
55.05270	1.2
55.05505	13.2
57.03155	0.8
57.03429	11.0
61.02909	2.2
65.03928	1.0
67.05498	20.2
69.03423	3.8
69.07069	8.2
71.04994	4.6
73.02911	1.6
79.05484	30.4
80.05801	1.0
81.03408	39.3
81.07045	25.2
82.03780	0.8
83.04971	10.5
83.08606	17.9
85.02895	18.6
85.06523	1.5
86.09687	0.8
89.03904	2.4
91.03958	0.9
91.05466	21.0
93.07033	34.0
95.04368	1.4
95.04955	19.4
95.08594	35.0
96.08907	1.0
97.02878	5.4
97.06512	4.3
97.10155	2.8
98.20757	1.3
99.04462	4.0
99.08072	1.6
103.05439	1.0
105.01812	0.7
105.06318	0.8
105.07022	17.7
107.04946	10.9
107.08578	24.8
109.02871	1.4
109.06502	3.4
109.10115	4.8
111.04426	3.1
111.08072	6.2
113.05982	1.7
115.05422	1.3
117.03387	4.4
117.07010	7.7
119.04926	0.7
119.08573	19.5
121.06479	5.0
121.10129	15.3
123.08038	1.9
123.11736	1.0
125.05993	3.3
125.09637	1.0
127.03923	1.2
127.07502	0.8
129.06989	6.4
130.07796	1.4
131.08566	6.5
133.06474	1.8
133.10103	8.9
135.08023	2.2
135.11673	40.5
137.09543	0.9
139.07564	1.7
142.07776	1.3
145.02824	13.0
145.10107	26.3
145.86748	0.7
147.04434	1.0
147.08002	1.3
147.11673	7.6
149.05942	1.8
149.09525	3.9
157.10114	8.3
158.05939	0.7
163.11160	54.4
165.12735	2.0
173.09605	0.8
175.11142	8.0
177.05458	22.7
181.12241	7.8
181.31554	0.7
184.90038	0.8
193.12224	22.0
193.13875	1.5
209.11848	1.2
211.13261	33.2
212.13719	1.0
227.12755	66.1
228.13187	1.9
267.15909	26.7
283.15366	60.9
284.15695	0.9
285.16940	55.5
286.17346	1.6
331.08041	1.4
361.40680	0.8
367.11768	1.4
447.27286	1.2
457.25507	1.2
475.26852	34.5
476.27341	1.8
493.27911	100.0
494.28430	4.8
529.17114	1.2
690.32123	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.2
55.05500	30.0
57.03418	16.0
61.02927	4.3
67.05498	63.4
67.99561	3.6
69.03423	6.2
69.07058	11.4
71.04982	5.2
71.52359	5.5
72.08157	10.8
79.05482	84.5
81.03404	75.0
81.07048	64.0
83.04971	26.0
83.08611	21.3
85.02889	17.0
85.06528	7.2
91.05464	72.6
93.07025	75.2
95.04961	38.9
95.08602	27.5
97.06531	6.1
97.10171	5.8
105.07019	54.6
107.04944	10.4
107.08562	27.0
109.06494	13.5
109.10146	12.9
111.08081	10.7
115.07629	4.1
117.07017	7.3
119.08565	32.2
120.08101	4.4
121.06444	4.5
121.10117	9.6
123.08059	8.4
124.62085	4.5
127.03919	4.0
129.06973	26.3
131.08534	10.9
133.06523	4.8
133.10107	13.4
143.08492	7.5
145.10086	13.8
147.04431	5.9
147.11665	43.8
149.09592	5.6
157.10152	8.0
161.09644	4.3
161.13257	14.1
165.01776	6.2
171.11693	22.8
175.11220	9.1
183.02913	4.8
189.12697	10.7
193.12244	34.2
207.13824	34.4
211.13268	33.2
227.12680	6.5
267.15927	35.9
281.14377	5.4
281.17441	98.3
285.16907	33.0
307.72546	4.1
459.27271	5.6
460.00586	3.9
470.87772	3.9
473.28882	100.0
491.29962	85.5
492.30603	7.3
688.40955	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	688.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47546	3.1
52.88094	3.0
53.03941	5.4
55.01849	3.1
55.05500	24.1
57.03424	9.6
61.87362	3.1
67.05495	47.1
69.03394	5.4
69.07045	13.0
71.04968	4.8
71.52984	4.0
77.02168	3.2
79.05480	59.4
81.03409	60.2
81.07042	47.1
83.04982	17.1
83.05390	3.0
83.08603	20.1
85.02883	12.5
86.09714	4.8
91.05465	47.2
93.07040	48.6
95.04951	32.7
95.08601	21.0
97.06512	6.3
97.10185	5.1
105.07012	35.9
105.21363	3.6
106.07370	3.0
107.04916	9.8
107.08553	21.6
109.06478	7.6
109.10101	4.9
111.08074	7.1
117.07011	9.3
119.04880	3.9
119.08556	28.1
121.06509	4.2
121.10136	13.5
123.08048	6.6
128.06366	3.0
129.06157	3.0
129.06960	19.3
130.90497	2.9
131.08537	11.0
133.06493	3.9
133.10065	12.3
135.08098	3.1
135.11674	4.4
137.33206	2.8
137.89987	2.9
143.08429	4.5
145.10078	9.0
147.04424	8.4
147.08006	5.3
147.11667	26.8
149.09625	4.3
157.10101	12.7
159.11731	4.8
161.13242	9.4
163.11166	6.3
164.14018	3.0
171.11662	15.4
175.11174	8.7
187.38326	3.2
189.12666	3.9
193.12250	30.0
200.89865	3.3
201.06760	2.9
207.13754	17.3
211.13197	25.5
219.50594	2.7
239.56442	3.3
257.53363	3.0
267.15869	34.4
281.17435	70.9
282.17679	5.2
285.17050	16.0
323.29083	3.2
384.59103	3.1
473.22461	6.3
473.28928	100.0
474.29056	4.5
491.29977	97.2
558.19800	3.9
624.94342	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	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62994	0.7
53.03930	1.2
54.98265	0.8
55.05261	1.2
55.05502	10.1
57.03192	1.2
57.03429	11.9
57.07064	1.8
59.04987	4.7
61.02932	4.1
61.16636	0.8
64.25336	0.8
65.03916	2.9
67.05494	99.1
69.03404	1.7
69.07054	7.0
70.47997	3.5
71.04976	3.3
73.02908	0.8
79.05484	16.9
81.03387	0.8
81.07045	33.7
81.07520	1.7
83.04996	1.0
83.08610	9.0
85.02897	4.5
85.06523	3.7
91.03931	2.2
91.05461	14.9
93.06483	1.9
93.07024	22.7
93.83144	0.8
94.67743	0.8
95.04975	2.2
95.08591	26.9
97.02872	3.3
97.06511	1.7
97.10138	2.0
99.08070	1.0
105.07015	5.9
107.08578	14.5
108.31522	0.9
109.10140	88.8
111.08089	3.4
117.06974	3.1
119.08566	12.2
121.10122	9.0
123.07945	0.8
123.11649	4.6
125.09579	1.3
127.03854	0.9
131.08527	5.0
133.10155	4.8
135.11662	7.1
137.09564	4.5
137.13261	1.5
145.10089	3.7
147.11632	2.9
149.13242	3.9
155.10646	4.9
159.11673	2.5
161.13205	2.9
163.14787	2.7
173.11736	22.0
173.13223	3.1
175.14812	0.9
187.14847	1.2
227.12767	7.6
229.14311	100.0
230.14630	2.1
233.22566	1.1
243.21037	4.9
261.22104	16.7
317.24692	3.6
335.25769	69.5
336.26227	1.9
415.31796	1.7
471.34439	1.5
483.16653	0.9
489.35681	39.5
490.36371	1.0
507.36523	2.8
681.13300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35184	0.1
73.02913	0.1
85.02824	0.3
85.85536	0.1
86.09666	0.1
97.02863	0.1
98.20697	0.2
101.61872	0.1
102.78449	0.1
116.52818	0.1
121.02805	0.1
141.01794	0.1
151.03789	0.2
151.07434	0.1
151.80885	0.1
153.01801	0.4
164.04605	0.1
167.03352	0.2
178.06120	0.2
192.04097	0.4
213.05450	1.8
229.04869	0.3
231.06259	0.1
241.04892	0.4
244.03650	0.1
255.06421	0.2
256.07315	1.2
257.04358	0.5
259.06000	0.6
269.04407	0.5
272.06747	1.1
283.05963	0.2
284.03638	0.2
284.06750	6.4
285.07233	0.3
286.04675	0.5
287.02246	0.1
287.05466	2.6
298.04770	0.1
299.05466	0.3
300.06253	0.9
301.07013	2.3
302.07745	0.6
312.06180	0.1
313.06973	0.5
314.04199	1.8
314.07626	0.2
315.04932	2.1
316.05731	1.7
327.04977	0.4
327.08356	0.1
329.06506	27.0
330.07272	12.1
331.07648	0.3
345.09637	100.0
346.09955	2.4
435.26508	0.1
683.18152	2.8
684.17786	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	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01872	1.1
55.05509	11.9
57.03433	13.4
57.07074	2.4
59.05003	3.1
61.02922	5.3
65.03927	2.7
67.05499	100.0
68.05875	0.6
69.03432	1.8
69.07061	8.6
69.38048	2.6
69.38464	1.8
71.04988	3.0
73.02922	1.1
79.05487	19.9
81.03416	0.8
81.07051	39.5
83.04978	1.0
83.08609	7.4
85.02896	3.6
85.06532	2.0
91.03960	2.2
91.05475	14.3
91.06019	1.1
92.10165	0.5
93.07037	26.2
95.04960	1.9
95.08598	28.8
97.02891	1.9
97.06520	1.4
97.10174	2.0
98.21494	0.9
98.36960	0.5
99.08080	1.2
105.07020	7.2
107.08582	15.4
109.06508	1.0
109.10146	72.2
110.10469	0.6
111.08079	3.9
117.06992	2.7
119.08569	10.4
121.10139	12.4
122.55767	0.6
123.08090	0.6
123.10934	0.5
123.11683	3.3
125.09618	1.6
127.03878	0.6
127.11150	0.6
131.08548	6.3
133.10120	4.9
135.11673	7.3
137.09625	3.1
137.13271	1.5
137.94270	0.5
145.10120	4.8
147.11674	4.4
149.13255	4.1
153.17900	0.6
155.10663	5.0
159.11685	3.0
161.13231	3.1
163.14804	2.7
173.11754	20.6
173.13257	3.1
175.14821	0.8
177.16350	1.0
187.14832	1.1
189.11180	0.9
202.92889	0.6
227.12798	2.7
229.14325	76.5
230.14697	0.9
243.21016	4.6
261.22119	16.4
273.82794	0.5
317.24597	2.9
335.25766	65.2
336.25906	1.7
397.30878	1.6
415.31888	0.7
471.34637	0.8
489.35718	50.7
490.35837	1.3
507.36505	2.2
667.96216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
55.01855	7.4
57.03423	3.4
57.38722	1.5
59.58146	1.4
61.02911	2.9
65.03933	3.0
67.05491	4.3
69.03429	9.8
69.07049	2.5
69.60369	11.1
70.06551	2.4
73.02903	2.0
79.05478	5.9
81.03414	13.1
81.07034	3.4
83.04964	5.9
85.02897	31.4
86.09682	2.6
91.05456	7.4
93.03391	14.7
93.07039	3.2
95.04968	3.2
95.08541	2.5
97.02875	21.8
101.80349	1.8
103.05457	3.1
105.07033	2.4
107.04941	34.2
107.08577	3.0
109.02852	14.9
109.10159	2.4
111.04430	12.8
117.03345	4.0
117.06974	2.4
119.04900	7.1
119.08537	4.1
121.02872	8.6
121.06491	8.0
123.04417	11.6
127.03886	6.2
131.04924	7.3
133.10089	2.2
135.04402	35.9
137.02321	5.2
137.05972	23.0
139.03845	14.0
141.01785	2.6
145.02791	7.4
147.04411	15.3
149.02277	2.6
149.05968	6.9
151.03876	7.6
153.01804	3.8
159.04405	6.8
161.02274	3.6
163.03868	15.4
165.01826	19.9
167.03392	2.9
175.03897	8.2
177.01819	22.4
177.05444	21.2
179.03329	5.0
181.04900	2.8
183.02849	15.7
184.07448	1.8
187.03639	1.8
189.01817	4.7
191.03412	3.2
193.05017	1.9
195.02867	100.0
201.01817	2.3
203.03340	16.8
207.02864	48.6
207.06468	4.6
208.03424	2.0
215.03368	6.9
217.04840	4.0
219.02876	8.5
221.04417	15.5
223.02338	5.8
225.03902	65.8
227.03365	4.7
231.02855	59.5
233.04468	5.9
233.08063	8.0
235.05910	3.2
243.02879	14.7
245.04361	6.2
249.03891	36.6
251.09065	2.8
255.02806	6.0
261.03885	18.0
263.09106	8.6
273.03946	31.7
287.05914	1.8
287.09143	5.8
291.04944	33.0
295.05911	3.1
301.07053	10.0
309.06000	5.6
313.07016	56.1
317.10092	7.6
343.08145	35.8
347.11389	4.0
365.12277	16.5
367.08066	45.7
369.13388	3.2
379.08075	4.6
397.09167	25.7
399.14322	6.0
409.09152	24.1
423.14334	2.5
427.10144	24.3
445.11188	29.3
475.12289	9.6
487.12061	2.8
492.16278	1.9
501.17331	3.9
505.13382	24.4
529.13397	41.3
541.13055	3.0
559.14423	29.4
560.14282	2.3
561.19733	4.0
571.14655	8.5
572.18304	1.7
589.15466	20.8
607.07184	3.1
607.16504	48.9
608.16687	3.9
611.93518	2.0
625.17645	11.3
663.21979	2.5
681.22852	5.0
681.34015	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	679.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01843	2.9
55.05504	19.1
57.03431	7.5
57.07066	9.5
61.02919	19.8
65.03920	2.3
67.05495	83.3
69.03407	2.7
69.07064	31.3
69.43661	8.8
71.04963	2.5
71.08622	6.6
73.02898	6.0
79.05073	2.0
79.05484	23.3
79.59238	1.3
81.03386	2.4
81.07046	100.0
83.04965	3.1
83.08159	1.8
83.08604	22.0
85.02892	16.4
85.06522	3.8
85.10150	3.7
91.03496	1.5
91.03957	16.0
91.05466	17.3
93.06494	1.7
93.07038	28.2
95.04930	2.3
95.08597	86.1
96.08920	1.4
97.02877	9.2
97.06503	8.4
97.10152	14.4
99.08066	5.0
102.31390	1.2
105.06536	1.2
105.07022	14.0
107.07889	2.0
107.08579	18.4
109.06502	2.3
109.10144	36.9
111.08040	3.1
111.11685	3.7
113.09613	3.0
119.08549	15.3
121.10123	21.5
123.08021	1.5
123.11690	20.4
125.09603	2.8
127.03892	5.8
127.11208	1.7
127.41185	1.3
131.08524	2.7
133.10123	16.5
134.17616	1.3
135.11667	13.9
137.09602	1.4
137.13214	9.4
139.11116	1.8
141.12662	2.1
145.04950	7.5
147.11646	11.3
149.02318	1.2
149.13248	8.7
151.14775	5.1
155.14311	2.9
161.13246	13.0
163.05988	10.1
163.14809	12.2
165.12755	1.8
165.16342	11.1
175.14801	11.4
177.16393	1.9
179.14270	2.0
179.17915	7.6
181.15819	1.6
189.16356	5.4
193.15921	1.5
203.17825	2.2
245.22623	56.7
246.22943	1.7
263.23676	75.7
264.23950	2.9
273.77588	1.3
281.24545	1.4
337.27335	58.6
338.27634	2.2
355.28250	4.8
453.79819	1.5
499.32529	6.1
567.26996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.3
55.05507	14.0
55.05729	2.3
56.63251	2.1
57.03430	9.9
61.02923	30.2
67.05499	81.0
69.03393	3.0
69.07059	13.5
69.43412	10.4
69.43848	7.6
71.04980	3.1
71.75361	2.2
73.02905	10.4
79.05489	43.9
81.03431	3.9
81.06590	5.2
81.07050	85.9
83.04978	3.8
83.08606	6.7
84.04471	2.2
85.02895	33.0
85.06533	5.6
91.03947	28.5
91.05467	23.5
93.07034	59.0
94.07370	2.5
95.04958	3.3
95.08592	75.9
95.09182	4.6
97.02886	15.2
97.06543	3.9
97.10141	4.1
98.21535	3.8
99.08090	3.5
105.07040	26.5
107.08578	43.5
109.06551	2.7
109.10159	41.3
113.09699	2.4
117.07023	9.0
119.08569	19.7
121.10128	39.3
123.08035	3.3
123.11669	14.3
125.09615	5.1
127.03914	10.0
131.08534	22.8
133.10115	19.4
134.36224	2.1
135.08063	2.5
135.11665	32.1
137.09572	4.3
137.13281	4.5
145.04955	9.6
145.10107	21.7
147.04393	2.6
147.11697	15.9
149.13245	28.0
149.98911	2.4
151.11168	4.2
159.11693	26.4
161.13278	6.3
163.06015	19.3
163.14818	11.3
165.12732	3.8
173.13240	14.2
187.14807	8.3
219.21072	3.3
229.19481	41.3
247.20543	100.0
248.20860	2.5
265.21594	5.7
321.24203	36.8
329.04944	2.4
339.25241	45.2
372.13586	2.4
483.29868	6.7
487.58459	2.6
492.78958	2.9
492.86453	2.9
499.81134	2.7
521.97705	2.6
680.33521	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	679.2229
Annotation	Hexandraside E
Peak:m/z	Relative Intensity
51.05153	0.3
53.00289	0.4
53.03929	0.5
53.93043	0.4
55.01850	0.8
55.05508	0.4
57.03427	0.5
61.02906	0.4
65.03918	0.4
68.47322	0.4
69.03426	2.1
70.06565	0.5
71.07327	0.4
71.07643	0.7
79.05476	0.7
81.03400	2.6
81.07023	0.5
82.76630	0.4
84.08112	0.4
85.02882	2.7
86.09645	0.4
89.03890	1.2
91.05476	0.5
93.03374	0.8
93.07027	0.5
95.04971	0.4
97.02861	1.7
98.39099	0.3
99.00812	0.7
99.04446	1.4
100.11230	1.0
103.05496	0.4
107.04957	2.7
109.02838	3.8
111.04417	0.7
111.19578	0.4
117.03374	3.9
117.06944	0.4
119.04908	1.6
121.02837	0.8
121.06463	1.0
123.04413	0.5
127.03886	4.4
131.04909	0.5
133.02867	0.4
134.03625	0.5
135.04401	5.5
137.02319	8.7
137.03294	0.3
137.05931	0.7
138.64236	0.4
139.03940	0.7
141.01802	0.6
145.02820	9.4
145.04779	0.4
146.03143	0.6
147.04404	2.6
148.04791	0.5
149.05946	1.6
151.03841	0.7
159.04402	0.5
161.02348	0.9
163.03856	0.6
163.93315	0.4
165.01776	1.1
165.05562	0.3
165.06995	1.2
171.04366	0.5
175.03860	1.2
177.01854	2.3
177.05443	17.3
179.03360	2.1
183.08044	0.8
189.01802	1.5
189.05396	0.9
195.02853	9.7
195.06462	0.5
197.04442	0.6
199.03799	0.4
201.05440	0.4
203.03375	5.9
207.02837	3.6
210.14868	0.5
211.07532	1.1
215.03380	0.5
217.04927	2.9
221.04350	2.2
225.03918	1.2
227.03300	0.7
228.07785	0.9
231.02803	0.5
235.05807	0.6
242.09395	1.2
243.10164	1.3
249.07486	0.6
255.02731	0.5
267.06470	0.5
270.05243	0.9
273.03851	0.9
283.06052	1.4
284.06750	3.2
287.05493	3.7
295.05966	0.9
295.09302	0.5
298.04663	1.1
299.05453	5.6
309.07520	0.6
311.05447	100.0
312.06140	6.9
313.07016	5.4
321.09650	0.7
323.05386	5.3
323.08893	0.5
325.06967	4.5
329.06339	0.6
336.06293	1.1
337.06995	11.3
339.11139	0.4
341.06503	53.8
342.06671	1.3
349.06836	0.5
351.04465	0.9
351.08591	11.4
352.09113	0.4
353.06534	1.6
355.11713	1.2
361.07339	0.4
363.08823	0.7
365.06512	21.3
366.06744	0.9
367.08020	0.6
371.07565	0.7
377.06595	2.8
379.07950	2.7
383.07675	0.5
395.07535	6.1
397.12793	11.1
407.02118	0.7
407.07510	13.9
419.09662	0.5
425.08600	18.4
426.08862	0.7
427.13937	0.4
437.10666	0.5
443.09665	33.7
444.09995	0.9
461.10678	11.8
481.14713	1.3
499.15921	12.1
517.16980	39.1
518.17310	1.4
539.11426	0.5
559.17993	0.5
623.15771	1.0
625.66559	0.5
661.19745	1.3
679.22223	2.5
679.50507	1.3
698.01624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15997	0.1
51.99294	0.2
52.50959	0.1
55.01870	0.2
55.05484	0.4
58.78627	0.1
59.16899	0.2
67.05478	0.3
68.99805	0.2
69.03418	0.3
70.06547	0.4
71.05749	0.3
71.06079	0.2
78.96646	0.2
79.05459	0.3
81.03378	0.4
81.07025	0.4
85.02864	0.5
86.09678	0.2
89.03867	0.2
91.05446	0.6
97.02837	0.2
100.11206	0.7
105.06971	0.2
109.02843	0.4
109.06450	0.2
117.03352	0.4
119.04893	0.4
123.00813	0.3
127.03901	0.4
133.10126	0.2
135.04372	0.8
137.02309	1.7
139.03882	0.4
141.01790	1.0
145.02811	0.7
147.04416	1.5
148.04698	0.2
161.05948	0.2
163.03845	0.3
165.01813	9.5
171.14903	0.2
177.05441	1.4
183.02869	6.6
183.04515	0.3
184.07314	0.3
207.06488	0.2
207.26550	0.2
210.14847	0.4
221.04390	0.2
245.90616	0.2
271.06104	0.2
287.05490	1.4
299.05453	100.0
300.05713	1.9
311.05405	0.3
345.05753	0.3
355.11710	23.7
356.12073	0.4
461.10742	9.9
517.16992	15.8
518.17371	0.3
679.21948	0.6
679.50525	0.6
704.49164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
58.19578	0.4
65.03924	1.9
67.05486	1.9
68.18468	0.4
69.07062	0.8
70.38306	1.9
74.02446	0.4
79.05476	0.9
81.03403	0.5
81.07050	2.2
86.09691	0.8
91.05470	13.2
93.07028	1.3
95.04958	1.0
95.08584	0.6
105.06985	0.6
107.04916	0.6
119.04932	31.1
119.08537	0.6
121.10130	0.6
131.08540	0.6
138.26585	0.5
147.04395	100.0
148.04686	1.1
169.11366	0.5
169.41058	0.4
184.07350	2.0
189.06969	1.9
190.07813	0.7
191.08536	1.8
192.09322	1.0
194.07210	0.8
202.07710	4.1
203.08643	2.2
205.06436	3.7
206.07190	0.9
207.08015	0.6
214.07588	0.6
215.08565	2.5
216.09264	0.7
217.06406	1.3
217.10234	0.6
218.07225	3.1
219.07979	7.2
220.08823	3.4
221.05936	1.3
229.06406	0.7
230.07307	1.7
231.08031	6.0
232.08801	2.0
233.05931	2.7
233.09624	2.2
234.06714	1.8
235.07533	1.4
237.09056	1.2
243.08061	1.1
244.08815	1.1
245.06017	1.2
245.09584	1.7
246.06741	1.9
247.07533	9.4
248.08307	12.9
249.08997	2.2
250.06197	1.2
251.06860	0.6
257.05905	0.6
258.06708	1.3
259.07504	5.5
260.08282	2.8
261.05511	1.8
261.09039	4.6
262.06299	1.7
262.09952	1.3
263.06992	2.1
263.10626	3.2
264.07718	1.3
265.08627	2.9
269.17493	0.6
272.08432	1.1
273.09143	1.6
274.06473	0.8
275.07001	4.0
275.10638	0.7
276.07767	20.2
277.08542	4.8
278.06039	1.1
278.09314	1.4
279.07120	0.5
279.10117	1.0
287.06992	1.3
289.05283	0.7
289.08539	2.1
290.06049	0.8
290.09283	5.4
291.10114	21.3
292.07449	0.6
292.10815	0.8
293.08005	5.3
303.06430	0.8
304.07306	4.1
305.08151	1.6
307.09619	1.7
308.10538	1.8
309.11172	0.7
318.08844	4.5
319.09595	27.6
320.10165	1.0
321.07516	2.5
323.12778	1.4
333.10928	0.6
335.09018	0.6
336.09940	2.6
337.10611	2.2
351.12222	61.6
352.12582	1.5
369.13394	2.8
437.28979	0.6
438.29251	0.6
515.16956	2.8
679.37311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2226
Annotation	Hexandraside E
Peak:m/z	Relative Intensity
53.03913	0.5
55.01830	0.8
57.03393	0.4
65.03894	0.5
67.05483	0.5
67.99024	0.3
69.03397	0.9
70.06532	0.5
70.77528	0.9
76.16737	0.3
79.05460	0.6
81.03369	1.5
81.07014	0.8
84.74418	0.4
85.02828	1.2
86.09653	0.8
89.03882	0.6
89.40250	0.3
91.05412	0.8
92.04967	0.3
93.03320	0.6
93.06966	0.5
97.02889	0.8
99.22590	0.4
100.11225	0.5
101.00654	0.4
105.06961	0.5
107.04887	1.1
109.02811	1.6
111.04391	0.5
117.03300	1.0
119.04929	2.0
121.02811	0.5
121.06429	1.0
123.04384	0.6
127.03843	1.4
128.25494	0.4
133.09990	0.4
135.03583	0.4
135.04399	4.5
137.01361	0.6
137.02310	6.5
145.02852	2.0
147.04362	3.4
149.05957	0.3
151.03880	0.6
161.02234	0.6
163.03793	0.9
163.55188	0.3
165.01761	1.6
173.54263	0.4
175.03841	1.0
177.01817	1.9
177.05438	5.3
179.03316	1.4
183.02818	0.7
183.04335	0.3
184.07295	1.6
185.84373	0.4
189.01779	1.4
189.05414	0.4
191.03349	0.5
195.02873	8.2
199.03847	0.5
203.03383	5.1
207.02892	2.9
211.07605	0.5
217.04968	2.9
221.04292	1.9
225.03859	0.9
227.03340	0.7
231.02721	0.4
235.05933	0.5
235.48651	0.4
245.04359	0.4
255.02742	0.6
270.05319	0.5
273.03940	0.8
283.05991	1.1
284.06741	3.2
287.05481	0.7
295.06009	1.0
298.04672	1.2
299.05432	8.3
311.05453	100.0
312.06097	5.3
313.06973	4.0
323.05466	4.0
323.08807	0.7
324.06155	0.6
325.06982	3.7
333.07547	0.6
336.06290	1.6
337.07019	11.3
337.11133	0.5
338.07166	0.4
339.04840	0.6
341.06519	45.8
342.06934	0.9
349.07034	1.0
351.04706	0.5
351.08615	10.4
353.06448	1.8
355.11725	1.6
361.06839	0.8
365.06522	23.4
371.07675	0.8
377.06500	2.8
379.08084	2.7
389.06409	0.9
395.07587	4.9
397.12701	7.7
407.07562	16.8
408.08072	0.5
411.76300	0.4
425.08618	20.5
426.09268	0.4
427.13995	0.8
443.03503	0.7
443.09689	17.7
461.10587	2.2
473.10748	2.4
481.14941	1.6
499.15979	14.0
503.11594	3.4
517.17010	26.2
527.11841	1.9
557.12689	3.0
559.17932	3.6
569.13300	1.0
587.13837	5.6
605.14929	16.0
611.64246	0.5
623.15924	2.3
661.21259	6.5
661.31488	0.7
679.22223	22.1
679.31274	0.9
680.22333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29420	1.2
53.03948	5.1
55.01867	2.7
55.05508	15.7
57.03426	6.6
57.07066	4.3
61.02920	31.7
64.67615	1.6
65.03962	1.7
67.05499	82.2
68.23540	1.4
69.03413	5.0
69.07057	15.3
69.40585	1.7
69.40910	13.9
71.04981	5.2
71.08610	2.6
73.02918	8.2
75.04493	1.7
79.05483	51.2
81.03423	4.3
81.07047	91.0
83.04955	2.4
83.08633	7.1
83.97472	1.4
85.02893	28.0
85.06559	2.5
91.03945	28.4
91.05470	31.7
93.07034	67.2
95.04961	6.3
95.08597	73.2
95.91952	1.7
97.02869	16.2
97.06551	3.9
97.10159	5.2
99.04469	1.8
99.08084	3.6
103.03941	2.0
105.04512	2.2
105.07013	21.9
107.08578	44.2
109.06541	2.1
109.10148	37.8
109.10847	3.0
111.08089	2.2
111.11711	1.8
113.09663	3.3
115.03883	2.3
117.07009	11.6
119.08569	22.8
121.10133	40.7
123.08067	2.3
123.11686	18.5
124.53806	1.8
127.03912	9.3
131.08543	21.2
133.10129	15.5
135.11682	30.5
137.09616	3.0
137.13185	7.0
139.11191	2.6
145.04958	13.8
145.10094	18.3
147.11673	11.8
149.09586	1.7
149.13242	23.5
151.11115	1.6
159.11649	15.4
161.13255	11.8
163.05991	14.2
163.11095	2.0
163.14793	14.8
165.12747	3.4
173.13222	16.4
175.14844	4.5
177.12775	2.4
177.16371	5.5
179.14294	3.7
187.14789	12.2
201.16318	4.0
233.22606	4.5
243.21056	32.1
261.22107	100.0
279.23328	3.5
335.25775	20.1
353.26813	24.8
360.56885	1.5
435.31064	1.7
448.27814	4.5
497.31168	2.2
618.96783	1.8
627.73755	1.8
677.34827	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01854	1.5
55.05270	1.1
55.05508	15.2
57.03432	8.4
57.07070	3.9
59.04998	0.9
59.24759	0.8
59.47134	0.9
61.02922	22.2
65.03935	4.4
67.05498	88.6
69.03425	2.2
69.07060	16.7
69.33135	9.3
69.50190	0.8
71.04973	2.9
71.08614	1.9
73.02906	9.1
73.48739	1.0
75.04485	1.3
79.05486	50.6
81.03402	2.9
81.07047	92.2
83.04962	2.6
83.08617	9.9
85.02897	20.3
85.06520	3.3
88.03002	0.8
91.03947	19.8
91.04896	1.8
91.05470	26.3
93.07032	68.3
93.81720	1.0
95.04977	3.5
95.08597	75.7
96.08916	1.4
97.02884	11.2
97.06532	4.4
97.10151	4.3
99.08094	3.9
104.50146	0.9
105.07021	19.6
107.08582	37.7
109.06495	2.9
109.10147	41.8
111.08063	3.5
112.02752	0.9
113.09619	1.9
115.83480	0.9
117.06999	8.6
119.08578	18.5
121.10133	38.3
123.08032	1.4
123.11688	22.5
125.09592	2.0
127.03926	6.1
129.05469	1.0
129.07063	1.3
129.39969	0.8
131.05890	0.9
131.08560	23.1
132.47977	0.9
133.10112	15.4
135.11687	29.5
135.12729	1.7
137.09627	2.5
137.13257	8.1
139.11179	2.2
143.08524	1.1
145.04948	8.8
145.10104	17.2
147.11667	13.8
149.09499	1.1
149.13245	24.8
151.11237	1.8
151.14859	2.4
153.12581	1.1
159.11678	15.6
161.13232	12.9
163.05981	12.4
163.11166	1.7
163.14827	17.3
165.12634	2.0
173.13248	18.2
175.01234	1.0
175.14828	3.9
177.12706	2.8
177.16403	6.7
179.14339	2.7
187.14795	10.7
189.16335	1.1
191.14323	2.9
193.15881	1.1
201.16324	4.7
205.15965	2.2
215.17931	1.8
223.16937	1.3
233.22638	3.9
243.21069	39.9
244.21342	1.2
244.81035	0.8
261.22107	100.0
262.22464	2.7
263.23648	2.0
279.23212	4.5
317.24704	1.6
335.25757	34.0
353.26837	34.5
354.27237	1.3
479.29391	1.0
497.31128	5.8
529.88776	1.2
534.88678	1.1
562.50592	1.2
674.84253	1.0
677.34894	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	676.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03932	3.4
55.01855	2.2
55.05261	1.6
55.05502	12.7
57.03435	12.1
57.07059	2.4
61.02912	2.7
65.03925	1.4
67.05498	38.9
69.03419	1.9
69.07062	14.7
70.12102	3.3
71.04601	1.1
71.04967	4.1
73.02943	1.2
79.05483	28.0
81.03409	36.0
81.07047	52.5
83.04967	10.2
83.08617	16.2
85.02901	15.3
85.06540	3.9
91.03960	1.4
91.05471	24.9
93.07033	38.2
95.04951	15.6
95.08593	15.4
97.02847	2.9
97.06538	8.3
97.10146	3.4
98.21561	1.2
99.08076	1.7
105.07022	14.1
107.04934	2.9
107.08584	19.2
109.06490	4.0
109.10159	3.4
111.04440	1.1
111.08063	8.1
113.05952	1.2
115.05474	1.4
117.07001	4.3
119.08570	10.3
121.06474	1.3
121.10132	12.8
123.08037	1.9
123.11683	2.5
125.09628	1.4
129.07014	5.3
131.08563	11.0
133.06480	1.7
133.10126	9.0
135.11685	3.8
137.09576	2.1
142.07730	1.5
147.04407	1.9
147.08023	1.9
147.11696	6.5
149.09564	4.9
149.13242	14.3
157.10120	7.5
159.11638	7.4
165.12738	1.3
175.11206	7.2
177.12663	3.7
193.12207	22.6
195.13808	7.9
211.13266	33.7
212.13487	1.1
213.14839	1.6
267.15881	20.5
269.17450	78.0
270.17841	1.7
285.16919	28.1
443.28040	1.4
461.28931	38.8
462.29285	1.8
471.59665	1.2
479.29987	100.0
480.30380	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	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38892	0.8
55.05518	1.0
67.05491	2.6
71.05009	0.9
79.05473	1.4
81.03411	1.3
81.07050	2.6
91.05486	1.8
93.07040	2.5
95.04955	1.2
95.08603	2.1
105.07053	1.6
107.08595	1.6
107.14686	1.0
109.10144	1.5
128.67004	0.9
133.10126	1.1
145.10158	1.0
159.11604	1.0
169.13741	0.8
177.89679	0.8
184.07457	0.9
193.04929	1.7
231.10948	0.9
256.26361	2.0
269.12741	1.0
306.88309	0.9
347.09357	1.4
423.51288	1.0
515.31824	22.5
516.32538	0.9
677.37085	100.0
678.37189	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	675.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56619	0.4
55.01834	0.5
55.05499	1.0
60.23188	0.4
60.68735	0.5
61.34860	0.4
67.05499	1.0
69.07051	1.4
69.90979	0.9
69.91386	1.7
71.08620	0.4
77.02106	0.5
79.05480	1.8
81.03403	1.0
81.07053	2.1
83.04989	1.1
83.08598	1.0
86.09689	1.2
91.05465	1.4
93.07046	1.6
95.04972	0.7
95.08620	1.4
97.10165	0.7
98.98454	1.2
100.11252	2.0
105.07049	1.2
107.08556	0.9
109.10146	0.9
111.08102	0.5
117.06982	0.7
119.08598	0.8
121.10120	0.8
122.09473	1.0
131.08601	1.0
133.10115	0.8
135.11765	0.5
147.11720	0.7
149.09601	0.6
150.05234	8.4
154.08389	2.7
157.10133	0.7
162.65248	0.5
168.09935	1.2
175.11227	1.1
184.07378	2.0
186.51619	0.5
201.55750	0.4
222.10985	11.0
232.50671	0.6
236.12514	3.3
249.15533	0.6
253.89888	0.6
254.13564	0.5
259.13986	0.5
277.15234	5.7
308.14633	0.5
311.25769	1.6
325.57361	0.4
330.30853	0.6
331.19983	0.8
349.20959	5.2
349.69211	0.5
377.20413	18.3
377.25177	0.9
378.20230	0.7
393.19940	0.8
421.22659	0.7
430.27109	0.5
437.78864	0.5
444.28336	2.9
449.26047	5.9
459.35147	0.5
476.27151	2.8
490.28815	12.7
503.37570	3.2
506.28564	0.6
516.34235	0.7
557.36566	0.7
562.34528	1.8
603.37341	5.2
675.42932	100.0
676.43213	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01852	2.7
55.05506	10.4
57.03195	1.0
57.03429	10.3
57.07062	1.3
59.04984	1.1
61.02908	2.5
64.14563	0.8
65.03927	1.6
67.05133	1.3
67.05496	35.1
69.03403	2.3
69.07061	11.8
69.78433	4.8
71.04960	3.9
79.05483	23.6
81.03410	35.0
81.07047	44.8
83.04976	10.0
83.08607	18.1
85.02892	12.5
85.06533	2.8
87.04430	1.1
91.05472	19.5
93.07033	31.7
95.04955	15.3
95.08604	13.4
97.02872	1.8
97.06522	7.5
97.10163	4.9
98.21476	1.2
99.08075	2.2
105.07018	13.6
107.04934	3.7
107.08575	18.6
109.06489	3.1
109.10126	3.7
111.08067	9.0
111.11672	1.0
113.05991	1.6
117.07005	4.9
119.04939	1.7
119.08576	9.5
121.06452	1.2
121.10134	12.0
123.08050	2.0
123.11691	2.1
125.09630	1.4
129.07016	5.1
131.08562	10.3
133.06473	2.3
133.10109	7.4
135.08028	1.2
135.11629	5.1
137.09610	1.1
145.02847	1.3
145.10042	0.9
147.04358	2.8
147.08023	1.5
147.11671	6.9
149.09612	3.8
149.13251	14.1
157.10124	6.7
159.11652	6.2
161.09657	0.9
163.11061	1.0
165.12675	1.3
175.11194	8.6
177.05479	2.1
177.12721	3.0
177.70805	0.9
193.12216	22.0
195.13774	3.2
211.13260	24.7
213.14835	0.9
227.12761	0.8
267.15854	17.6
269.17447	61.5
270.17801	1.1
285.16965	16.8
343.88272	0.9
433.29251	1.7
435.27164	1.2
461.28931	47.0
462.29376	2.0
479.29977	100.0
480.30194	3.8
677.27863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.05510	59.6
55.53165	4.2
57.03423	15.5
65.03905	4.1
67.05499	70.1
68.05820	5.0
69.03428	7.7
69.07056	27.0
70.43029	11.1
79.05482	59.7
81.07047	80.5
82.07373	4.0
83.04970	6.7
83.08624	24.8
86.09660	4.6
91.05478	30.2
91.37421	4.1
93.07037	52.2
95.04988	4.4
95.08600	63.5
95.96837	3.7
97.06475	5.0
97.10168	46.1
101.14150	5.0
105.07005	21.9
107.08590	47.6
109.10149	27.0
117.07006	8.2
119.08566	19.0
121.10123	25.2
123.11696	9.6
125.09639	35.1
131.08577	12.5
133.10126	12.8
135.11687	17.8
137.13312	4.8
143.10658	10.3
145.10159	7.0
147.11716	8.6
149.13242	13.0
157.10124	4.6
159.11728	9.8
161.13223	8.6
162.57263	4.0
163.14833	6.0
173.13319	6.6
177.16330	4.9
184.07323	5.1
215.12743	10.1
217.14368	100.0
243.21149	11.9
261.22144	54.4
335.25763	76.5
353.26834	18.1
403.31903	8.9
403.41476	5.5
477.35718	68.1
478.35593	8.9
486.92651	4.5
674.42401	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	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09457	0.7
55.01865	2.9
55.05505	6.5
57.03423	7.2
57.07053	1.0
61.02908	1.3
65.03919	1.2
67.05495	27.3
69.03420	1.2
69.07060	10.8
69.53365	2.6
69.53782	3.2
71.01334	0.9
71.04976	3.8
72.08135	1.1
73.02920	1.0
76.15365	0.8
79.05480	21.5
81.03399	3.2
81.07047	38.3
82.07365	1.1
83.04974	4.5
83.08154	0.9
83.08612	10.9
85.02889	1.6
85.06525	1.3
91.03954	0.9
91.05475	9.1
93.07033	38.8
95.04965	5.6
95.08594	25.8
97.02869	2.7
97.06513	5.7
97.10158	1.8
98.21632	0.8
99.04447	3.0
99.08070	1.6
105.07015	6.5
107.04951	5.1
107.08582	26.8
109.06494	1.9
109.10151	3.3
111.04414	1.3
111.08059	3.2
111.57136	0.7
117.07002	6.6
119.04855	0.8
119.08569	6.0
121.06490	4.6
121.10124	14.3
125.05950	1.0
126.44725	0.7
131.08549	4.7
133.09230	0.7
133.10085	4.1
133.50658	0.7
135.08086	1.3
135.11671	29.9
139.07530	1.5
145.10109	17.3
147.04382	1.9
147.11629	1.0
149.09550	0.9
149.13239	15.5
157.10185	1.1
159.11690	5.3
163.11156	38.3
173.09633	1.1
177.05550	1.3
177.12753	3.4
181.12190	6.4
185.77180	0.7
195.13789	5.4
198.36421	0.9
209.11661	1.2
227.12752	40.7
267.15863	1.6
269.17444	69.6
270.17764	1.3
283.15344	29.8
286.73563	0.9
387.55594	1.0
459.27167	2.5
464.44934	1.0
477.28430	100.0
478.28873	5.0
669.68079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	3.9
55.05510	14.4
57.03438	17.0
61.02915	5.3
67.05498	22.5
69.03419	4.9
69.07054	6.9
69.31949	3.4
69.32349	10.9
70.06586	4.4
71.04976	3.5
73.02928	1.6
77.59633	1.4
79.05488	21.7
81.03411	99.8
81.07047	25.6
83.04965	11.9
83.08613	20.0
84.04416	1.2
85.02895	17.5
85.06516	1.8
88.07600	3.0
91.03922	2.6
91.05476	27.5
93.07039	16.1
93.53732	1.2
95.04957	34.7
95.08598	10.3
97.02894	5.1
97.06528	2.6
97.10174	5.5
99.08113	2.6
102.09177	2.3
105.07020	22.8
107.04952	8.0
107.08578	9.0
109.06510	4.4
109.10135	3.9
111.04453	3.3
111.08080	11.1
117.07021	3.8
119.04909	2.5
119.08579	19.7
121.06492	6.2
121.10118	8.2
122.06150	1.3
123.08071	3.4
125.09615	2.5
129.06984	12.2
131.08554	14.6
133.06459	3.8
133.10126	9.7
135.11691	2.1
137.05923	1.4
137.09607	2.8
142.07756	3.4
145.06477	4.1
145.10118	3.7
147.04404	3.4
147.08046	5.7
147.11679	13.6
149.02306	7.7
149.09583	7.4
157.10106	17.2
163.11171	2.6
165.12779	1.4
175.11154	12.1
176.79919	1.4
193.04987	6.0
193.12236	35.5
193.15964	1.5
211.13278	15.9
228.23216	8.4
246.27490	1.4
249.14883	3.0
255.13612	1.6
267.15897	100.0
269.17419	4.1
273.15042	3.6
283.15411	3.9
285.16937	18.1
349.21506	1.9
356.55731	1.5
367.22574	9.8
385.09341	1.5
385.23755	9.4
403.24472	1.6
429.11954	2.9
433.25778	11.6
441.26151	5.1
459.27338	40.1
460.27588	2.2
477.28470	49.7
585.30157	2.8
674.35370	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	674.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65950	0.7
55.01855	3.4
55.05260	1.1
55.05507	10.4
57.03429	5.2
57.07042	1.0
61.02905	3.1
67.05498	20.4
69.03412	2.3
69.07061	6.1
70.06596	0.9
70.86262	1.2
70.86583	1.0
71.04975	1.8
71.08628	0.7
77.03912	0.8
79.05482	15.4
81.03410	13.4
81.06588	1.5
81.07048	20.3
82.96011	0.7
83.01337	1.6
83.04984	7.0
83.08613	7.7
85.02896	3.9
85.06526	1.5
86.09730	1.0
91.03957	1.0
91.05469	11.4
93.06521	0.6
93.07033	16.8
95.04965	5.9
95.08591	5.8
97.02878	3.2
97.06511	4.1
97.10171	5.3
99.04440	1.2
99.08102	1.1
105.07028	9.2
107.04947	2.8
107.08582	11.0
109.06512	4.0
109.10149	3.4
111.04441	4.5
111.08072	2.9
112.40543	0.7
115.05476	0.7
117.07017	5.2
119.08558	5.5
121.06486	2.7
121.10123	3.7
123.08062	3.0
123.11672	2.1
125.09605	3.1
127.03969	1.4
129.06987	2.6
131.04930	1.1
131.08534	5.8
133.06454	1.1
133.10101	4.6
135.08051	1.4
135.11688	6.7
143.08601	0.8
145.06430	2.2
145.10110	6.7
147.04420	1.5
147.08041	1.4
147.11697	2.0
149.09622	1.4
149.13246	3.4
151.11156	0.8
153.12714	3.5
155.08536	1.4
156.61246	0.7
157.06490	0.9
157.10164	1.8
159.07986	1.3
159.11691	3.2
163.11162	7.9
169.59094	0.7
171.08064	0.8
171.11780	1.1
173.09645	1.6
175.11200	1.2
177.05371	1.2
177.12778	1.4
181.12265	3.4
189.11253	1.8
191.10672	2.8
193.12253	3.3
195.13821	3.1
206.85831	0.8
209.11749	3.0
211.13251	2.0
227.12741	6.9
233.15381	1.6
237.12885	0.8
255.13571	0.9
267.15891	10.3
269.17459	15.6
269.20187	1.0
273.14877	1.1
278.00269	0.9
283.15381	16.5
285.16962	2.2
367.22705	2.5
385.23816	4.7
403.24658	4.1
421.26038	0.9
433.25946	1.0
441.26132	1.5
459.27423	19.1
460.27747	1.3
477.28458	100.0
478.28915	5.4
495.29507	17.3
496.30057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3911
Annotation	Kirkinine
Peak:m/z	Relative Intensity
55.05510	3.4
56.05030	1.2
57.03440	1.1
61.02907	1.5
65.19696	0.5
67.05496	4.3
69.03429	1.3
69.07068	1.7
70.06582	0.7
70.18777	2.6
71.04974	0.9
72.08147	26.7
72.15988	0.5
77.07065	0.6
79.05489	2.7
81.03409	2.1
81.07040	4.3
83.08595	0.8
84.04498	5.7
84.08126	0.8
85.02907	2.0
86.09697	94.7
91.03960	1.2
91.05473	5.0
93.07039	3.2
95.04959	1.3
95.08585	2.0
97.02888	1.5
97.06500	1.1
98.09690	3.2
102.05544	7.2
103.05454	2.7
105.06998	4.8
107.04975	0.8
107.08593	1.3
109.02882	0.6
109.06560	0.7
109.10151	1.6
110.06070	0.7
112.07580	1.2
112.11227	5.1
117.06978	0.9
119.04953	0.9
119.08544	2.0
120.08090	100.0
121.06546	0.6
121.08465	1.0
121.10113	1.0
123.93246	0.6
129.06915	0.5
130.04961	0.8
131.04874	1.5
131.08545	1.7
132.08052	0.9
133.10141	2.3
135.11707	0.8
137.09659	0.9
138.09081	2.2
140.14336	6.0
145.10068	1.3
146.09631	3.6
147.04401	1.8
147.11665	1.1
149.09625	0.6
152.10692	1.6
154.15891	1.7
155.11766	0.6
156.10191	2.6
157.10057	0.6
157.13348	15.6
159.11633	0.8
169.10048	0.7
170.11777	2.6
171.11507	0.8
174.12735	2.2
177.05476	1.0
183.11353	6.0
185.12852	13.5
185.16438	8.7
186.09088	3.9
188.14346	5.0
191.11795	1.7
195.14923	0.7
201.08795	0.6
201.12331	10.3
204.10150	2.6
209.11473	0.6
211.10797	1.6
211.18033	6.3
213.15944	7.6
215.13902	0.8
219.11205	1.2
223.14377	1.0
225.19536	3.5
229.11842	6.9
229.14029	1.2
233.16458	8.9
239.17502	3.5
243.13240	1.2
249.12317	10.3
251.13831	1.4
253.19124	3.0
259.17935	2.6
261.15930	5.1
269.18649	1.4
275.19943	3.5
277.11813	13.4
279.16910	0.8
284.19629	5.1
287.17456	2.1
287.20975	1.4
296.19748	0.8
297.17999	1.0
298.21164	3.2
303.13550	1.2
303.17010	2.8
314.17096	1.0
317.18637	4.4
324.19168	4.0
330.18332	0.7
331.07916	0.8
331.16348	2.0
332.19577	2.1
341.13885	0.9
342.20203	2.2
345.17926	2.7
349.23608	1.4
350.20840	0.8
352.25845	1.5
358.17313	0.7
364.22324	3.9
367.23148	2.0
368.21524	1.7
369.28394	2.0
376.18637	9.4
385.24185	0.7
390.20264	3.6
395.22855	16.1
397.27911	1.5
398.20569	1.3
409.24149	1.1
413.23969	3.7
426.23563	0.7
427.25226	1.1
431.26550	0.8
433.24240	0.9
443.22318	1.5
444.24612	2.7
445.27991	0.8
447.22171	1.3
459.26682	0.9
461.23309	4.7
476.27417	0.9
477.28168	1.0
480.31656	1.4
481.29953	0.7
489.27441	3.1
493.27942	1.3
494.27603	0.9
497.27756	0.8
498.32562	1.1
499.32632	1.4
508.31274	5.5
511.28827	2.2
515.28589	4.6
526.32098	2.8
529.29742	2.1
532.31042	2.8
542.29108	2.6
546.32581	1.3
556.30786	1.4
557.32819	1.9
560.30560	5.0
574.32074	3.3
600.36737	0.8
628.37000	6.4
645.39587	5.3
655.37384	2.6
673.39063	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	673.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34640	0.2
53.03936	0.4
53.23344	0.3
55.05504	0.4
59.97068	0.2
61.02903	0.2
65.03937	0.8
65.15015	0.2
67.05476	0.5
68.99753	0.3
69.03439	0.4
70.06586	1.5
70.48032	0.2
70.60333	0.2
71.52581	0.3
71.52962	0.5
72.08139	0.3
75.82198	0.2
79.05465	0.3
81.03406	1.4
81.07045	0.4
83.41571	0.2
85.02901	0.4
86.09694	0.5
87.71509	0.3
89.99299	0.2
91.05491	0.4
93.03423	0.4
93.07008	0.3
95.04959	0.5
97.02886	0.4
105.07027	0.3
107.04927	0.5
109.02876	1.5
110.07096	0.3
111.04458	0.9
119.08507	0.3
127.03883	2.2
136.07562	0.4
137.02310	3.5
137.05933	0.5
139.03880	0.9
145.02762	0.3
147.04359	0.7
149.02357	0.4
151.03807	0.3
153.01814	6.8
163.03902	0.4
167.40652	0.2
170.02147	0.3
171.02875	0.4
175.03841	0.3
177.05539	0.8
183.02863	2.1
195.03012	0.4
203.03394	0.3
207.06401	0.3
213.05530	0.7
216.04160	1.6
228.81784	0.3
229.04910	0.3
231.76857	0.3
241.04948	2.6
242.05707	1.3
243.06522	0.6
253.05115	0.4
255.06633	0.6
257.04407	2.0
258.05249	1.3
259.05991	0.6
263.09241	0.6
269.04495	1.3
270.05237	3.0
271.06003	0.6
272.03400	0.5
272.06735	1.1
273.04068	0.9
273.07596	0.9
274.04614	0.3
283.06012	0.7
284.06500	0.3
285.07544	0.6
286.04739	1.8
286.08368	1.5
287.05463	6.0
299.05487	1.9
300.06277	0.8
301.03607	0.6
301.07108	1.6
302.04294	1.1
311.05496	0.6
313.03607	0.6
313.06992	3.2
314.04666	0.3
314.07809	12.7
315.04968	8.4
315.08652	16.6
316.05734	2.1
316.08948	0.4
329.06561	2.0
352.46109	0.3
363.04849	0.3
364.05859	1.4
405.05710	0.3
408.04605	2.2
419.07394	0.3
421.05457	0.5
435.07104	0.3
436.04248	1.6
443.10220	0.3
447.07230	0.6
449.05145	0.5
450.05661	0.5
451.06552	16.2
452.06793	0.4
465.08218	1.1
479.09802	2.0
481.06927	0.3
497.10733	100.0
498.11301	2.1
673.13922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
55.93818	0.2
61.02918	0.3
65.03924	1.0
67.05482	0.8
69.03406	0.3
69.07040	0.3
70.30994	1.1
79.05466	0.5
80.17282	0.3
81.03421	0.5
81.07048	0.9
83.04956	0.3
85.02911	0.6
91.05470	14.0
93.07024	0.6
95.04957	0.3
97.02895	0.6
103.05425	0.4
105.07033	0.6
107.08565	0.4
109.10110	0.4
111.04420	0.3
113.28049	0.3
116.82464	0.2
119.04928	25.9
119.08544	0.5
120.05277	0.4
123.97808	0.3
123.98696	0.3
131.04892	0.9
133.10045	0.3
136.63715	0.3
137.05965	1.8
145.02924	0.3
145.10170	0.3
147.04391	82.4
148.04724	0.8
149.05975	0.3
151.03883	0.5
151.07535	1.0
153.01811	5.9
154.02550	0.5
157.06450	0.3
161.05963	0.5
162.06747	1.0
164.04631	0.4
165.05476	1.8
178.02625	0.7
179.07011	10.4
185.05885	0.3
197.05716	0.3
213.05484	1.9
219.17365	0.4
229.04996	0.5
241.04964	3.9
242.05667	3.9
253.04842	0.4
257.04398	0.3
258.05182	4.8
269.04486	0.9
270.05194	12.1
271.05737	0.6
273.03903	2.3
273.07553	1.1
275.19928	0.4
285.03882	0.7
286.04663	3.7
287.05487	7.0
298.04709	0.4
299.05344	1.8
301.03354	3.7
301.06998	1.1
302.04181	4.2
303.04712	0.3
313.03497	1.7
314.04239	0.5
314.07828	1.2
315.04938	55.0
316.05673	6.5
327.08585	2.1
329.06522	23.4
330.07104	1.0
331.08078	100.0
332.08359	2.4
343.11804	0.7
355.21301	0.3
431.88190	0.3
433.43643	0.3
433.70041	0.3
459.10678	16.2
460.11011	1.0
463.13794	0.5
479.12463	0.3
491.13312	4.1
501.31595	0.3
558.79364	0.3
673.19702	0.7
673.33759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05507	5.2
57.03433	3.6
57.07070	35.6
61.02606	0.8
61.02921	14.1
67.05496	10.3
68.26469	0.5
69.03428	2.4
69.06734	0.6
69.07063	7.2
69.85796	1.5
69.86204	1.2
71.08624	30.1
73.02914	5.2
75.04461	1.9
79.05478	1.8
81.03397	1.8
81.06596	0.9
81.07049	15.0
81.49029	0.5
81.56770	0.5
83.08154	0.8
83.08617	11.7
85.02895	19.4
85.06533	0.6
85.09660	0.9
85.10175	16.9
86.09675	0.5
89.06054	0.6
91.03945	14.4
91.05470	1.9
93.07027	1.8
95.04945	0.8
95.07981	1.2
95.08595	23.4
97.02882	8.0
97.10167	5.7
99.04410	0.9
99.11716	1.6
103.07543	0.8
105.07021	1.4
107.08561	1.0
109.10143	11.3
111.11729	1.1
113.13278	0.6
115.03931	0.9
119.08563	0.7
121.10164	0.6
123.11696	4.9
125.13254	0.6
127.03897	4.8
131.08553	0.5
136.90831	0.5
137.13251	2.5
145.04927	7.6
145.10173	0.7
151.14804	1.0
158.97701	0.5
163.06007	10.7
165.16360	1.1
216.07423	0.5
220.03325	0.5
221.22659	1.0
239.23665	22.4
257.24686	3.8
273.14868	0.5
298.27341	0.6
313.27322	100.0
314.27692	1.7
321.60614	0.5
331.28378	36.7
672.41827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05506	6.8
57.03428	8.5
57.07053	1.3
61.02904	2.9
65.03920	1.6
67.05499	37.2
69.07066	11.2
69.40881	2.6
69.41295	7.5
69.93528	1.1
79.05482	14.1
81.03397	2.4
81.06596	1.9
81.07050	22.9
83.04915	1.1
83.08596	3.9
85.02889	3.2
89.06029	1.5
91.05479	7.2
93.07037	19.1
95.04959	2.7
95.08599	100.0
95.44649	1.1
96.08920	1.9
97.02890	2.4
97.06510	3.9
97.10180	1.8
103.03951	2.0
105.07026	7.0
107.08577	8.3
109.06470	1.6
109.10146	7.0
111.08023	1.2
117.07018	1.3
119.08562	5.3
121.06416	1.1
121.10139	8.4
123.08078	2.9
123.11707	2.6
131.08539	3.4
133.10135	4.6
135.11681	7.4
141.09076	2.7
145.10088	3.4
147.11639	4.4
149.13208	3.0
159.10143	15.1
159.11565	2.7
161.13229	2.4
163.14746	2.5
173.13232	3.0
191.14229	1.2
213.11176	4.3
215.12764	79.2
216.13107	2.4
226.44975	1.2
243.21060	4.4
261.22128	13.2
276.83011	1.5
317.24747	2.4
335.25769	59.0
336.25925	2.9
475.34171	25.2
476.34586	1.8
493.35016	3.1
562.65808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87626	0.9
53.03934	3.6
55.01863	4.6
57.03429	1.3
58.55657	0.9
61.02913	1.3
65.03929	4.1
67.05483	1.6
68.99780	1.6
69.03405	5.9
69.16914	0.8
69.17733	0.8
70.06588	4.3
70.71497	2.6
71.04974	1.4
72.08134	2.0
73.02901	0.9
75.04461	4.5
78.04691	3.3
79.05462	2.0
81.03406	9.8
81.07029	1.4
82.09512	0.9
84.08097	1.3
85.02898	12.7
86.09688	2.5
87.00819	2.8
89.03927	1.2
91.05469	25.8
93.03394	12.0
93.07021	7.5
95.04953	5.3
97.02888	5.4
97.06507	3.5
98.21438	0.9
99.04448	2.8
103.05463	5.3
105.07011	3.5
106.04162	32.5
107.04960	2.0
109.02870	12.1
109.06506	2.5
109.47042	0.9
111.04415	2.4
115.05424	1.2
117.03358	1.5
118.04055	1.0
118.56071	0.8
119.04920	8.4
121.02895	1.2
121.06492	33.4
122.03605	2.8
123.04429	0.9
123.08054	1.3
125.05978	9.2
127.03903	11.8
131.04912	1.7
133.06461	1.2
134.03633	5.7
135.04401	1.7
136.94945	0.9
137.02322	1.9
137.05962	22.8
138.06247	4.9
139.03914	1.5
139.07518	2.3
141.01770	1.4
145.02832	2.6
145.04959	1.9
146.50250	0.9
147.04422	7.0
148.05069	2.0
149.02324	0.9
149.05960	46.3
150.06319	0.9
151.03857	1.9
151.07504	2.5
152.08304	1.2
153.01819	2.5
153.05453	2.1
153.09088	12.8
159.02844	2.1
161.05939	2.7
163.03896	2.6
163.07544	2.4
166.06200	1.8
167.07019	1.9
171.46510	0.9
175.03867	5.9
176.04227	2.2
177.05450	24.2
177.06908	1.8
179.06995	2.4
181.04994	0.9
181.08568	20.8
181.10033	1.7
189.05450	0.9
191.07013	2.3
193.08734	1.2
196.65617	0.9
199.07695	1.2
207.06500	13.2
208.06873	5.1
209.08072	100.0
210.08365	1.4
231.04887	2.4
266.05701	1.8
267.06161	1.6
273.05893	0.9
287.05423	1.3
294.05243	3.4
295.05499	4.4
296.06250	2.0
301.52365	1.0
303.04916	6.1
304.05264	5.1
307.05829	1.1
312.05649	1.0
322.04739	2.8
323.04889	4.2
324.05936	1.3
333.08224	0.9
339.05066	3.3
339.12335	2.0
340.05466	7.1
341.06183	4.5
347.07394	1.0
352.05933	1.0
355.08081	19.8
356.08401	26.0
357.08023	3.4
367.07608	1.4
368.08481	1.4
375.09027	2.6
476.10785	1.2
477.10739	1.7
482.03998	0.9
492.13696	4.7
509.14474	7.2
510.14719	32.2
672.19635	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	672.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.4
55.01852	1.8
55.05510	8.2
56.15385	0.7
57.03439	4.2
59.04988	1.1
61.02906	1.8
65.03920	1.4
67.05499	33.9
69.07064	8.1
71.04988	2.0
71.52882	1.7
72.08135	1.1
73.06561	0.9
73.76859	1.0
79.05012	1.4
79.05485	30.4
81.03411	4.0
81.07047	36.3
83.04979	5.2
83.08607	5.6
85.02891	2.1
85.06522	2.4
86.09673	0.9
91.05471	22.0
92.05824	0.8
93.07032	35.9
94.07389	0.8
95.04955	7.2
95.08589	13.3
97.06513	4.5
97.10165	2.1
99.08091	1.0
105.06387	1.4
105.07027	14.3
107.04930	2.4
107.08579	13.7
109.06514	2.2
109.10136	3.2
111.08066	3.3
117.07026	4.9
118.05717	0.9
119.08584	8.3
121.06500	1.2
121.10135	5.4
123.08078	2.0
129.06989	6.8
131.08549	4.0
133.10114	5.4
135.11665	2.7
143.08521	2.3
145.06532	1.0
145.10092	3.8
147.07983	1.6
147.11682	12.4
149.13245	9.7
150.84584	0.9
155.22913	0.9
159.11656	3.2
161.09579	1.8
161.13232	3.4
171.11659	8.7
177.12756	2.0
189.12691	3.1
195.13782	2.4
207.13759	9.5
225.14774	0.9
269.17453	25.1
270.17786	1.0
281.17429	21.1
386.23889	1.2
460.27771	1.4
475.30502	100.0
476.30954	4.4
505.35419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	10.7
55.01861	9.0
55.05272	4.3
55.05505	53.4
57.03424	13.0
57.07046	5.4
65.03911	9.8
67.05497	88.4
68.99789	4.4
69.03400	12.2
69.07059	23.3
69.38112	23.8
71.04970	6.3
79.05489	90.2
81.03407	63.4
81.07047	81.2
83.04964	11.3
83.08601	19.6
85.02888	4.3
91.05469	75.4
93.07035	68.3
95.01328	5.0
95.04958	100.0
95.08591	52.6
97.02866	7.5
97.06492	5.6
97.10159	17.8
99.08067	3.3
103.05443	4.1
105.07013	53.4
107.04946	24.4
107.08583	41.9
108.74106	3.2
109.02848	4.9
109.06493	14.9
109.10149	20.2
111.04436	12.6
111.08051	5.5
115.05446	9.5
117.07013	34.8
119.04934	12.1
119.08569	43.1
121.02850	12.6
121.06490	25.0
121.10149	28.5
122.97891	2.6
123.04398	9.6
123.08077	8.8
123.11661	5.8
125.09639	14.2
128.06204	8.5
129.06982	26.9
131.04958	16.6
131.08554	30.8
133.06477	16.2
133.10120	23.4
135.04407	5.2
135.08035	15.0
135.11653	18.9
137.02318	4.1
137.05940	6.4
141.06987	10.8
141.08945	3.3
142.07756	4.1
143.08516	19.5
145.06494	20.5
145.10097	25.0
147.04413	17.7
147.08025	11.5
147.11632	14.6
149.05933	9.4
149.09622	9.9
149.13239	6.5
153.06888	4.1
155.08498	14.2
157.06503	7.5
157.10109	17.4
159.08023	12.1
159.11682	15.7
161.05919	17.4
161.09598	11.6
161.13173	8.1
163.11230	18.8
167.08549	8.3
169.10054	12.7
171.08014	6.5
171.11635	15.5
173.05971	11.5
173.09570	8.6
173.13248	10.4
174.06773	9.8
175.07547	4.9
175.11169	5.2
177.05424	4.9
177.12720	6.5
179.08499	4.9
181.06558	4.2
181.10103	10.3
183.08002	4.4
183.11678	13.8
184.07343	5.5
185.09645	5.0
185.13219	7.9
187.07539	6.8
187.11166	4.1
189.05435	15.8
189.09164	4.8
189.11104	3.6
189.12711	7.5
191.08452	3.8
193.10085	4.9
193.12175	2.8
195.11641	7.1
197.09598	7.4
197.13246	6.0
199.07329	2.9
199.11150	8.4
199.14790	5.3
201.12756	4.4
203.10532	4.8
204.09052	3.2
205.10205	3.5
205.12253	10.5
207.11707	4.6
209.09621	4.2
209.13197	6.5
211.11116	5.7
211.14848	3.5
213.12656	5.1
217.15875	3.3
223.11215	4.2
223.13161	5.2
227.12645	4.7
233.15321	3.8
239.14218	4.0
241.12271	2.9
255.13705	4.3
257.15341	4.6
257.18881	5.0
259.13254	7.6
259.20538	6.2
273.14807	38.7
283.13370	7.0
285.14899	6.9
301.14334	41.9
303.15891	21.8
319.15363	19.6
333.24136	9.8
335.25946	26.8
347.18582	5.0
375.17880	10.9
377.19806	4.2
391.26062	3.9
393.18893	10.1
393.23938	3.9
525.33429	3.9
541.35980	3.8
561.35596	5.6
593.37720	3.7
597.36969	3.3
602.33984	4.9
605.38104	4.4
607.39319	4.2
617.37933	10.9
623.38873	12.4
635.39331	54.6
653.40283	30.9
671.30402	6.7
671.41449	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1809
Annotation	Spinacetin 3-gentiobioside
Peak:m/z	Relative Intensity
52.50837	0.3
53.03910	0.6
55.01831	0.4
56.04997	0.3
57.03397	0.8
61.02873	1.9
68.99763	0.3
69.03418	6.4
69.20564	0.4
69.20901	3.8
70.06551	0.8
71.04939	0.5
73.02867	1.0
81.03394	2.5
85.02895	13.0
85.03381	0.4
87.04423	0.8
91.03915	0.6
93.03386	0.7
94.65112	0.3
97.02885	3.8
99.04391	0.8
99.61037	0.3
109.02818	1.5
110.07101	0.5
111.04373	0.4
116.13807	0.3
121.02827	1.2
123.04359	0.7
127.03886	2.6
135.04294	0.9
137.02330	5.7
137.03331	0.7
145.04910	1.6
147.04362	0.5
149.02263	0.7
153.05406	0.6
161.02325	0.6
163.03902	2.1
179.03381	3.0
191.03389	0.8
196.61432	0.3
199.07361	0.4
205.04973	0.4
221.04237	0.4
227.06854	0.8
231.02956	0.5
237.05322	0.4
255.06535	2.0
261.03876	2.4
273.07584	0.7
283.06024	0.8
287.05573	0.5
301.06967	1.2
305.02768	0.6
308.93323	0.3
311.05438	1.6
318.03662	0.3
329.06500	100.0
330.06805	3.8
347.07562	84.4
348.07962	3.0
355.08252	0.4
389.08658	0.3
400.84863	0.4
509.12808	1.2
537.27502	0.4
617.11963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01860	0.6
56.04980	0.3
57.03412	1.0
61.02909	1.4
65.03940	0.5
66.04696	0.3
69.03079	0.5
69.03420	4.8
70.06573	0.5
70.23380	1.1
71.04965	0.7
72.08112	0.3
73.02897	0.7
79.05476	0.6
81.03420	1.8
81.07024	1.3
85.02894	10.9
86.09687	0.6
87.04443	0.6
91.03916	0.4
91.05473	1.9
93.35188	0.3
94.04176	2.3
97.02882	4.0
99.04429	0.7
103.03886	0.3
107.04922	0.6
109.02850	1.6
109.06511	2.8
110.03625	0.3
117.03332	0.3
119.04910	0.7
121.06442	0.5
122.03632	4.2
127.03905	1.8
137.05957	41.7
138.06290	0.6
145.02855	0.3
145.04918	1.0
147.04350	0.7
149.05966	0.3
153.01813	1.7
177.05502	0.6
188.29544	0.3
207.06540	0.8
221.06084	0.3
237.05466	0.5
243.81924	0.3
253.04895	0.7
265.04984	0.9
266.05676	9.5
266.08380	0.6
267.06451	1.5
268.03506	0.3
269.04465	0.3
278.05719	0.9
279.06332	0.3
280.03607	0.8
281.04398	1.0
282.05280	0.5
287.05603	0.6
293.04388	0.6
294.05176	12.7
295.05893	6.8
295.08981	0.5
296.06525	0.5
297.03891	1.1
298.04633	0.4
303.04968	0.9
306.05225	1.9
309.03918	0.4
310.04651	0.9
311.05362	2.7
317.06595	0.4
322.04688	13.2
322.08499	0.6
323.05313	2.8
324.06415	0.4
325.03369	1.5
326.04102	1.6
327.04999	0.9
334.04877	1.5
337.03262	0.5
339.04922	15.7
339.11847	0.6
340.05725	13.2
341.06296	2.1
342.07590	1.0
345.07272	0.4
351.04883	1.1
352.05688	1.6
355.08072	100.0
356.08502	3.0
367.03769	0.5
367.08139	5.0
369.07617	0.7
370.08203	0.3
371.09134	0.4
372.06213	0.5
373.06985	0.8
381.08228	0.3
383.05521	0.6
384.06320	1.1
385.06851	0.4
387.08743	0.8
391.08350	0.5
397.06918	0.8
398.07642	0.5
399.08563	1.2
400.05667	1.2
401.06418	1.3
409.07031	0.4
414.07285	0.4
415.08435	1.6
416.08932	0.9
426.06961	0.4
427.08087	2.5
429.06137	1.0
430.06375	0.6
431.10989	0.4
433.09525	0.7
443.07352	2.1
444.08258	1.3
445.09171	0.6
458.09613	0.7
459.10870	1.6
461.08466	2.3
463.10541	0.4
475.10110	1.1
476.10910	2.4
491.13348	19.3
492.13293	1.4
509.14404	83.3
510.14822	3.7
671.24323	0.4
695.58606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53315	1.9
53.03939	2.5
55.01866	1.9
55.05507	30.8
56.89897	1.5
57.03426	7.7
57.07073	14.2
57.51117	1.6
57.92123	1.9
61.02918	29.5
67.05494	38.3
67.71891	1.6
69.03407	5.3
69.07060	46.8
69.34942	3.0
69.35346	13.3
71.04976	2.9
71.08620	6.9
73.02905	9.5
75.04497	2.3
79.05473	18.7
81.03419	2.3
81.07047	55.3
83.08604	43.2
85.02896	34.6
85.06532	1.8
85.10167	5.5
91.03949	29.2
91.05469	3.7
93.07032	26.6
95.08595	49.8
97.02873	17.9
97.06509	9.1
97.10151	23.4
99.04464	2.7
99.08100	3.0
105.06984	3.4
107.08585	21.7
109.10150	19.2
111.08086	7.2
111.11701	5.8
115.11220	2.2
121.10138	42.2
123.11692	15.6
125.09612	3.3
127.03892	12.0
135.11682	34.0
137.13237	9.4
139.11154	3.4
143.59854	1.7
145.04977	13.6
149.13234	17.0
153.12704	5.0
163.05992	17.9
163.14796	6.3
167.14403	1.7
177.16403	3.1
198.14227	1.8
199.63864	1.9
219.21065	46.0
237.22099	97.9
238.22420	3.4
255.23177	27.1
272.38797	1.9
311.25757	100.0
312.26187	3.7
314.98761	1.8
329.26804	70.1
330.27148	2.9
473.30832	8.5
509.28482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30420	0.1
56.74245	0.1
57.03392	0.2
61.02880	0.1
63.65001	0.1
69.03357	0.5
69.47174	0.5
69.47599	0.2
70.06551	0.1
71.01312	0.2
73.02865	0.2
81.03384	0.2
85.02896	2.1
90.50829	0.1
94.69484	0.1
97.02875	0.7
98.20781	0.2
100.07718	0.1
113.02316	0.2
127.03910	0.5
129.01434	0.1
136.01494	0.1
137.02252	0.1
141.01808	0.5
145.04857	0.4
150.03090	0.1
153.01817	0.8
154.02518	0.3
171.02834	0.2
178.02589	0.3
179.06999	0.2
181.04942	0.1
205.04887	0.3
237.83798	0.1
241.04773	0.2
242.05656	1.5
245.04445	0.1
253.04918	0.1
258.05225	1.3
269.04440	0.2
270.05188	8.0
271.05676	0.2
273.03860	0.9
285.03906	0.1
286.04691	1.2
287.05429	3.1
298.04434	0.2
299.05612	0.5
300.06024	0.1
301.03345	1.7
302.04160	2.3
313.03436	0.5
315.04935	31.2
316.05676	4.0
327.58774	0.1
331.08066	100.0
332.08447	2.2
332.11719	0.1
343.08267	0.1
373.09140	0.3
489.10379	0.1
507.11307	4.8
508.11615	0.1
622.70984	0.1
669.16473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.2
61.02887	0.2
67.01855	0.1
69.03426	0.7
69.43750	0.4
69.44178	0.3
70.06539	0.3
71.01299	0.2
71.04962	0.1
73.02867	0.3
80.32147	0.1
80.40191	0.1
81.03420	0.4
81.84096	0.1
83.06019	0.1
85.02893	2.4
85.03378	0.1
86.09665	0.1
89.05225	0.1
97.02866	0.9
99.04426	0.1
109.02801	0.3
110.07073	0.2
113.02295	0.1
115.03867	0.1
120.08057	0.2
127.03878	0.5
129.10149	0.1
137.02242	0.2
141.01814	0.8
145.02887	0.1
145.04959	0.4
151.03783	0.1
153.01811	0.6
154.02582	0.2
159.02838	0.3
163.03830	0.2
171.02751	0.2
174.33961	0.1
177.05450	0.2
178.02596	0.5
179.03374	0.1
181.04953	0.1
213.05408	0.1
241.05034	0.2
242.05687	1.8
253.04817	0.1
255.02740	0.2
258.05234	1.3
269.04407	0.3
270.05194	10.9
271.05478	0.2
273.03961	0.5
285.03946	0.3
286.04636	0.8
287.05453	4.6
288.06107	0.2
298.04694	0.7
299.05438	0.6
301.03406	1.8
301.06732	0.2
302.04147	2.9
313.03357	0.8
314.04230	0.1
315.04929	38.8
316.05695	10.9
317.05994	0.2
331.08057	100.0
332.08371	2.0
343.08017	0.1
373.09253	0.2
397.09177	0.2
489.10526	0.2
507.11258	6.0
508.11569	0.1
579.29614	0.1
652.67804	0.1
668.37457	0.1
669.16406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.1
57.03423	16.5
57.07071	33.3
59.04990	4.1
61.02921	6.8
62.98122	1.6
65.03918	1.6
67.05496	81.6
69.07064	8.2
70.17769	5.9
71.00908	1.5
71.05003	2.8
71.08624	22.3
73.02901	1.5
79.05455	1.9
81.07046	19.1
83.08607	12.4
85.02886	7.0
85.06559	2.4
85.10179	15.1
87.04461	1.5
91.03942	3.0
91.05470	5.0
93.07028	3.3
95.08595	17.5
97.02892	3.2
97.10162	4.6
98.20879	1.6
107.08585	2.4
109.10143	87.8
110.73206	1.7
111.08060	3.7
119.08577	8.8
120.35695	1.5
137.09552	3.8
155.10684	2.2
158.00523	1.7
159.86234	2.0
173.11734	23.9
228.26462	1.5
229.14319	100.0
230.14708	1.6
239.23555	2.1
313.27322	90.9
314.27829	2.7
375.05527	1.7
467.37296	65.0
525.13904	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	664.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76355	1.9
53.58286	2.0
55.01859	3.6
55.05490	6.6
57.03424	3.1
66.08847	1.8
67.05499	15.8
67.49314	1.9
69.07059	7.4
69.21224	1.9
69.38229	9.5
69.38657	8.0
71.66972	1.9
79.05500	13.0
81.07044	36.9
83.08601	3.0
91.05457	8.9
93.07030	12.8
95.08605	10.8
98.68314	1.9
105.07014	2.6
107.08570	7.7
109.06515	11.0
109.10139	5.8
111.04430	11.7
119.08563	5.6
121.10115	7.1
123.08027	2.4
125.05983	2.2
131.08516	3.9
133.10097	3.1
135.08035	3.3
135.11688	5.9
137.05969	100.0
147.11671	7.3
149.09538	4.5
161.09589	5.4
161.13210	2.4
165.09212	2.7
175.11183	4.4
203.17960	4.9
231.17404	6.1
239.55481	2.2
249.18608	3.7
249.40767	2.1
277.17963	39.5
295.19058	11.7
335.25757	18.4
351.21658	14.7
425.76306	2.0
577.48767	2.4
611.43024	44.0
611.52716	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	666.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01859	2.7
55.05503	6.7
57.03433	2.2
57.07079	1.4
58.97395	1.0
61.02923	2.9
65.03928	1.3
65.92294	1.1
67.05499	22.3
69.03420	13.6
69.07064	7.8
70.06573	1.6
71.01340	1.3
71.04976	1.4
71.05897	2.0
71.06232	1.6
73.02926	2.0
76.25578	0.9
79.05485	16.1
81.03413	10.2
81.07047	53.1
83.04963	1.3
83.08610	3.7
84.80475	1.0
85.02897	37.2
86.09702	2.5
87.00835	8.9
91.05476	18.7
93.06528	0.8
93.07031	33.3
95.04958	5.2
95.08598	59.7
97.02879	15.3
97.06528	1.3
97.10154	2.1
99.04463	3.9
105.01852	23.9
105.07018	61.1
107.08582	60.0
109.02856	11.4
109.06500	2.7
109.10144	46.1
111.08050	1.2
111.11668	1.7
111.20821	1.0
117.07014	1.3
119.08566	43.4
121.10136	22.2
123.11699	10.3
125.09664	1.3
127.03904	29.4
131.08539	2.1
133.10103	27.5
135.11664	13.2
145.02843	1.6
145.04929	12.0
145.10117	2.7
147.04367	1.6
147.11668	48.4
149.13219	1.2
153.01814	1.1
159.02872	3.2
159.11668	3.1
161.13237	17.6
163.03864	1.3
163.14798	13.1
175.14775	7.5
177.05406	2.6
185.69604	1.2
203.17932	100.0
204.18306	2.0
213.04007	1.8
215.17966	1.8
221.19031	7.0
231.04976	7.7
249.06055	5.7
270.34586	1.1
284.09656	1.5
315.08575	1.4
666.35291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94205	1.0
53.03933	2.3
55.01864	1.4
55.05499	8.1
57.03426	12.8
57.07062	1.0
59.04990	3.7
61.02923	1.2
62.79487	0.9
65.03934	1.1
67.05495	64.6
68.82553	0.8
69.03442	2.0
69.07047	2.8
71.04981	4.6
77.51699	0.8
79.05479	7.3
81.03407	49.7
81.07049	16.3
83.04947	2.6
83.08612	13.8
85.02888	2.7
85.06526	2.7
86.09679	1.1
91.05469	13.4
93.07034	7.0
95.04953	15.4
95.08601	5.9
95.27338	1.0
97.02882	2.7
97.06479	1.1
105.07009	7.5
107.04940	3.1
107.08574	3.6
109.02860	1.6
109.06480	2.6
109.10141	61.4
111.04450	1.6
111.08044	5.2
117.07030	1.5
119.04943	1.2
119.08565	12.2
121.06496	3.3
121.10138	3.8
123.08030	1.2
123.50288	1.0
125.09593	1.2
129.06987	4.0
131.08539	5.7
133.06468	2.3
133.10114	3.1
135.04420	1.2
137.09604	2.6
142.07748	1.8
145.02852	1.4
147.04413	2.0
147.08037	1.9
147.11670	3.4
149.09596	2.5
155.10651	3.2
157.08958	1.0
157.10081	5.8
173.11720	17.6
175.11195	4.7
176.85513	0.9
177.05441	3.0
192.00188	0.9
193.12210	16.3
211.13205	1.7
229.14320	93.7
249.14835	1.0
267.15881	82.7
268.16174	1.2
291.68903	1.0
329.20721	2.6
347.22174	1.4
360.58707	0.9
382.93866	1.1
403.24673	9.6
421.25787	100.0
439.26920	1.2
463.26877	2.2
529.27930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4328
Annotation	PAz-PC
Peak:m/z	Relative Intensity
54.74952	0.1
55.05489	0.3
56.05019	0.6
57.07057	0.2
58.06597	0.3
59.07375	0.2
60.08155	5.6
65.40662	0.1
67.05480	0.2
71.07365	2.6
71.08627	0.2
74.09692	0.2
76.73173	0.2
79.05479	0.3
81.07044	0.3
83.08585	0.2
85.09048	0.1
86.09694	28.6
87.10040	0.2
93.07014	0.2
97.10143	0.3
98.98453	2.5
104.10722	2.3
124.99985	17.3
125.09646	0.2
143.01054	0.2
170.73415	0.2
184.07315	100.0
185.07716	0.8
396.75812	0.2
496.34369	0.3
666.43317	5.9
667.43445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
57.03425	0.6
65.03918	0.9
67.05489	1.5
69.03422	0.7
71.52176	0.5
71.52588	0.6
75.47863	0.5
79.05481	1.7
81.03416	1.5
81.07012	1.0
81.29578	0.5
83.08582	0.6
85.02870	0.8
87.91026	0.4
89.03902	1.7
91.05463	5.4
92.05786	0.8
93.07050	1.4
95.04990	1.1
95.08624	0.6
97.02881	0.7
105.07009	1.2
107.08582	0.7
109.06522	0.7
109.10134	0.9
117.03340	3.2
118.03722	1.8
119.04929	5.0
119.08585	0.8
120.05264	1.7
120.74155	0.4
131.08582	1.0
133.10103	0.5
145.02826	9.2
146.03171	4.4
147.04391	22.3
147.11670	0.5
148.04733	9.3
149.02359	1.6
149.04951	2.5
149.06056	1.2
151.67114	0.5
163.04025	0.6
164.73589	0.5
177.05457	15.7
178.05801	7.4
179.05948	2.9
184.07318	1.2
193.04976	1.4
194.05342	0.6
243.08322	0.8
256.16141	0.7
260.45349	0.5
429.11707	0.9
445.25653	2.7
466.29025	1.1
474.14944	1.1
501.28165	2.2
629.41199	0.6
635.33698	0.9
663.33405	100.0
664.33496	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	663.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03278	1.0
53.03927	4.1
54.43461	0.9
55.01857	3.7
55.05508	15.8
57.03434	19.3
57.07075	7.8
61.02921	67.1
67.05501	22.7
69.03423	28.3
69.07061	22.9
69.35737	9.0
70.44337	0.9
71.01334	2.8
71.04982	3.8
71.08617	2.6
72.45148	0.9
73.02911	23.8
75.04487	1.8
79.05486	11.5
81.03409	19.9
81.06583	1.9
81.07047	26.6
83.01326	1.6
83.04966	3.6
83.08611	18.7
85.02896	79.0
85.10188	1.8
87.04453	4.2
91.03945	48.6
91.05466	3.9
93.07032	11.9
95.01389	0.9
95.04955	2.9
95.08601	25.3
97.02881	63.8
97.06524	4.1
97.10159	12.6
98.98478	1.4
99.04453	13.0
101.02377	7.7
103.03938	7.8
105.06988	2.2
107.08585	7.7
109.02877	11.9
109.06480	1.8
109.10137	11.7
111.04439	1.7
111.08075	2.2
111.11688	4.0
115.03900	4.9
116.34348	1.0
117.04166	1.0
117.05479	2.7
117.06985	1.3
119.08565	1.7
121.10125	15.7
123.08096	0.9
123.11711	3.8
125.09587	1.7
127.03905	32.1
127.04829	2.1
129.05475	6.4
131.08498	1.4
133.10141	1.7
135.11690	10.9
137.05937	1.4
139.11174	1.5
145.04938	21.7
147.06540	1.8
149.13271	4.4
151.14793	2.5
153.12677	1.1
155.07021	1.7
159.06528	3.2
159.11598	1.0
163.06026	4.5
163.14780	2.2
165.16406	1.3
171.06537	3.3
175.52826	1.1
177.16306	1.9
183.06523	12.8
191.17940	1.5
201.07526	11.2
219.08563	1.1
225.47360	1.0
247.24226	10.2
250.10022	1.0
257.19171	1.2
263.23776	1.3
265.25232	22.3
331.26392	1.1
337.27322	6.8
339.28900	100.0
340.29236	2.9
349.27286	1.5
367.28326	4.2
373.27261	3.2
381.29984	5.3
383.27350	1.3
391.28217	1.4
411.30722	1.1
423.31161	1.3
447.31024	3.8
465.31982	5.3
483.33142	13.6
501.34332	2.3
663.39917	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	663.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05482	1.2
57.03417	1.2
66.71764	0.7
67.05503	1.2
69.03419	2.4
69.35641	7.7
70.06580	2.1
71.04996	0.8
72.08146	0.7
75.05145	0.7
79.05492	1.3
81.03404	3.0
81.07056	1.4
82.03751	1.0
84.08125	0.8
85.02886	5.3
86.09691	1.1
91.05472	2.9
93.07059	1.2
95.04984	0.9
95.08595	1.3
97.02870	2.5
105.07072	0.9
107.04949	2.9
109.02863	2.8
111.04414	1.0
117.03367	1.5
119.04933	7.8
119.08524	0.8
120.08006	1.0
121.02863	8.8
121.06400	1.0
127.03930	2.0
129.10052	0.8
135.04404	3.1
139.03914	2.5
145.02835	3.6
147.04367	5.4
148.04846	0.9
149.05933	1.2
151.03902	1.4
153.01831	1.2
163.03900	9.5
165.01900	1.3
165.70276	0.8
175.03922	1.1
177.01822	1.9
177.05490	6.3
179.03426	1.5
189.01787	1.1
191.03366	0.8
195.02916	9.7
201.12459	0.8
203.03377	5.6
207.02841	4.1
217.05009	2.8
221.04477	3.6
225.03883	1.1
254.05785	1.2
267.06561	1.1
268.07291	3.1
279.06506	1.8
282.05179	1.5
283.05939	8.1
287.05444	1.2
295.05984	100.0
296.06552	7.9
297.07446	5.7
307.05991	5.3
309.07483	5.3
320.06641	1.4
321.07538	10.3
325.07037	52.9
326.07455	1.8
333.07486	1.1
335.09045	11.0
337.06921	2.9
339.12173	2.1
349.07022	21.0
361.07114	3.4
363.08356	2.4
379.08087	9.0
381.13321	12.7
391.08069	14.4
392.08282	1.2
409.09161	20.8
427.10214	44.1
428.11151	1.9
445.11188	9.6
457.11057	1.3
465.15369	2.0
483.16425	11.8
501.17603	32.3
502.17944	1.6
645.21289	2.8
663.22644	4.7
663.32220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03939	2.7
53.65785	0.8
54.68983	1.0
55.01861	2.7
55.05506	14.6
57.03429	16.5
57.07063	1.1
57.77460	0.8
61.02911	3.9
65.03941	2.8
66.00656	0.9
67.05499	40.8
69.03413	4.8
69.07059	13.4
69.32922	1.3
69.33257	8.7
71.01344	3.4
71.04996	5.5
79.05487	36.9
81.03410	46.0
81.07053	29.0
83.04975	15.0
83.08614	17.6
85.02899	15.6
85.06539	2.8
86.09695	3.4
89.03904	6.0
91.03953	2.0
91.05473	46.2
92.05778	3.0
93.07037	43.5
93.07640	1.3
95.04958	19.8
95.08595	8.7
97.02876	2.9
97.06518	11.7
97.10146	9.1
98.77697	0.8
99.04470	1.2
99.08076	2.2
103.03905	0.9
105.07021	16.2
106.07359	0.9
107.04961	5.6
107.08582	22.0
109.02859	2.8
109.06521	4.1
109.10152	5.7
111.04418	1.2
111.08080	6.7
113.05968	2.2
115.05456	1.1
117.03385	15.3
117.07025	4.7
118.03693	4.6
119.04929	23.0
119.08568	15.7
120.05286	6.2
120.08870	1.1
121.06487	1.6
121.10127	11.8
123.08052	1.2
123.11691	1.3
124.99983	0.9
125.09643	3.0
127.03939	1.5
129.07001	6.7
131.08566	8.5
133.06506	2.5
133.10126	15.2
135.04388	1.5
135.08101	1.2
135.11676	33.2
137.09593	2.4
142.07738	2.5
145.02838	32.1
145.10065	7.6
146.03177	10.8
147.04395	89.6
147.08058	2.2
147.11668	10.4
148.04733	29.4
149.04941	1.4
149.05986	5.3
149.09608	4.8
150.06274	1.7
157.10133	9.1
161.09563	1.2
163.11156	5.9
165.12769	1.2
175.11176	9.7
177.05453	64.1
178.05788	23.7
179.06013	1.4
181.12221	8.9
184.07344	4.6
186.05437	1.9
187.05746	1.2
193.12230	27.9
195.13791	1.6
199.13286	2.3
211.13258	43.8
212.13683	1.1
221.36456	0.8
237.52760	0.9
249.14822	1.7
253.14301	1.6
255.15881	90.9
256.16205	2.5
267.15906	22.6
269.17502	3.2
271.15369	2.1
285.13690	1.3
285.16931	27.8
289.52280	1.0
403.24503	1.1
417.18979	1.0
421.25748	3.1
447.27380	60.2
448.27643	3.0
465.28458	100.0
466.28973	4.8
471.21527	1.0
472.17654	1.0
609.32416	1.5
619.22455	1.1
620.23749	1.3
662.32050	3.7
663.33026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72081	0.2
63.02381	0.6
63.76786	0.2
65.03937	1.5
66.41689	0.2
67.01855	0.3
70.77624	0.6
78.04699	0.4
81.03409	0.4
81.99966	0.2
85.83823	0.2
89.03902	6.4
89.04424	0.4
91.05473	12.8
92.05820	0.3
102.60020	0.2
103.05392	0.3
106.04136	0.5
107.04966	0.3
109.02860	2.1
117.03367	18.0
119.04930	28.8
120.05294	0.6
124.05237	0.2
127.03927	0.5
134.03609	1.3
135.04391	1.0
145.02832	38.5
146.03174	0.8
147.04393	100.0
148.04750	1.6
149.05969	6.3
158.05980	0.4
162.03148	0.2
163.03856	0.3
177.05450	70.9
178.05742	1.4
186.05478	1.1
202.30312	0.2
273.07608	1.9
276.67938	0.2
285.07397	0.3
298.54382	0.2
303.08588	0.3
311.94690	0.3
638.09479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.22174	0.2
62.01597	0.2
63.02380	0.4
65.03921	1.2
78.04700	0.3
81.03410	0.4
89.03908	5.7
91.05470	12.2
92.05777	0.2
98.21570	0.4
103.05421	0.2
105.04530	0.2
106.04177	0.3
109.02865	2.6
110.14687	0.2
112.90391	0.2
117.03369	16.1
119.04929	27.1
120.05266	0.4
127.03911	0.6
134.03590	1.0
135.04398	1.0
145.02832	36.7
146.03166	0.9
147.04393	100.0
148.04724	2.6
149.05965	5.6
158.06018	0.5
163.03741	0.3
169.25279	0.2
177.05450	75.0
178.05807	1.6
186.05423	1.2
233.91786	0.2
273.07483	1.4
303.08673	0.3
475.29483	0.2
540.02509	0.2
565.01208	0.2
607.55524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
51.14303	0.2
53.92854	0.1
63.02352	0.3
65.03914	1.3
67.01852	0.3
69.53903	0.5
69.54330	0.7
77.17956	0.1
78.04688	0.2
81.03395	0.4
89.03339	0.3
89.03902	6.9
91.05468	12.8
92.05820	0.2
93.07065	0.1
95.04951	0.3
103.05460	0.3
103.62453	0.2
105.06984	0.2
106.04164	0.3
109.02870	1.4
117.03363	17.5
118.03710	0.5
119.04922	26.4
120.05229	0.4
124.05190	0.3
127.03924	0.9
134.03621	1.3
135.04408	1.6
145.02824	44.1
146.03122	0.8
147.04385	100.0
148.03799	0.2
148.04741	1.9
149.05957	6.1
158.05966	0.2
162.03128	0.3
163.03906	0.5
172.68799	0.2
177.05443	80.6
178.05760	1.6
186.05516	1.4
205.13216	0.2
241.08589	0.2
255.56163	0.2
273.07520	2.0
400.38925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.1
51.02378	0.1
51.30315	0.1
53.03934	0.1
62.01587	0.1
63.02338	0.5
65.03931	1.3
67.01859	0.1
67.54222	0.1
70.18408	0.4
78.04694	0.2
78.14071	0.1
81.03403	0.4
89.03336	0.2
89.03902	5.9
91.05470	12.2
92.05839	0.2
95.04952	0.1
103.05402	0.2
105.94139	0.1
106.04143	0.3
109.02857	2.3
117.03365	15.8
118.03671	0.1
119.04925	26.8
119.72588	0.2
120.05245	0.5
121.06497	0.1
124.05167	0.1
127.03887	0.6
134.03607	1.2
135.04422	1.1
145.02827	37.8
146.03195	0.6
147.04387	100.0
148.04732	1.9
149.05954	5.1
153.56104	0.1
158.05965	0.1
162.03110	0.1
163.03885	0.4
177.05446	69.3
178.05772	1.1
186.05490	1.1
207.86710	0.1
246.32086	0.1
259.09601	0.4
273.07578	1.4
303.08554	0.1
312.46271	0.1
321.74686	0.1
474.80719	0.1
538.54144	0.1
662.02228	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	659.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01701	1.0
53.03931	4.8
55.01858	4.7
55.05508	8.8
57.03429	19.4
57.07057	1.9
61.02919	81.4
65.03934	1.7
67.05496	36.9
69.03422	32.4
69.07064	6.8
69.26914	9.6
71.01347	3.6
71.04983	5.5
73.02908	25.7
75.04459	1.4
79.05485	23.3
81.03404	22.3
81.07045	37.5
83.01345	1.8
83.04964	4.6
83.08601	4.6
85.02892	100.0
85.06548	1.6
87.04446	2.4
91.03944	58.8
91.05460	14.2
93.07034	27.7
93.32909	1.0
95.04958	4.6
95.08591	29.7
97.02879	77.1
97.06505	1.6
97.10145	2.2
99.04447	13.9
101.02352	6.4
103.03929	10.3
105.07017	10.7
107.08576	16.4
109.02859	12.5
109.06509	1.3
109.10137	13.8
111.04427	4.6
111.08038	2.1
115.03902	8.2
117.05472	4.0
117.06994	4.5
119.08563	9.9
120.42619	1.0
121.06537	1.0
121.09313	1.9
121.10118	14.7
123.08015	1.3
123.11655	6.5
125.09567	1.1
127.03900	39.3
129.05458	6.4
129.07008	1.8
131.08545	9.7
133.10109	8.6
135.08043	1.3
135.11653	11.0
137.05887	1.2
137.09666	1.4
137.13268	2.1
139.03845	1.0
141.06924	1.3
143.08521	2.5
145.04939	25.2
145.10078	8.6
147.06581	1.1
147.11691	6.0
149.13268	7.0
157.10159	1.8
159.06499	1.2
159.11652	7.4
161.13203	7.3
163.05981	8.4
163.11148	1.4
163.14821	1.7
171.06532	1.7
171.11749	2.5
173.13188	6.6
175.14803	3.4
177.16315	1.1
183.06422	7.1
185.13197	2.2
187.14781	3.0
201.07510	5.9
243.20987	5.0
259.20575	3.0
261.22104	18.6
275.23508	1.1
277.21588	2.0
279.23105	1.2
291.23038	1.2
303.23141	1.9
315.22992	1.5
327.23224	2.3
333.24316	1.9
335.25754	74.2
336.26178	1.9
348.96237	1.1
351.23300	2.3
363.25226	3.7
369.24133	3.5
377.26892	1.4
443.27676	2.9
461.28903	2.1
479.30029	8.8
497.30948	1.8
617.19000	1.1
659.35779	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	661.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
53.00297	0.2
53.03935	0.6
55.01863	0.3
60.77071	0.2
63.02381	0.8
64.30432	0.2
65.03916	1.3
67.01852	1.8
69.03427	0.3
70.06575	0.4
71.04982	0.2
71.05862	0.5
72.08138	0.3
78.04697	0.3
79.05510	0.3
81.03404	1.7
85.02905	0.2
86.09688	0.5
87.10039	0.2
89.03909	7.9
91.05470	13.1
92.05797	0.3
93.07050	0.3
95.04961	0.3
97.02885	0.3
99.00811	0.2
102.35223	0.2
103.05429	0.5
105.03380	0.3
105.07011	0.2
106.04171	0.3
107.04934	0.7
109.02128	0.4
109.02865	6.7
109.03602	0.4
109.10076	0.2
110.67248	0.2
115.08639	0.2
117.03365	20.6
119.04926	28.3
120.05278	0.6
120.08134	0.3
121.02868	0.2
121.06522	0.3
123.04405	0.3
124.05136	0.3
124.48936	0.2
125.02328	0.3
127.03899	1.6
131.04861	0.3
133.02841	0.3
133.06438	0.2
134.03598	1.8
135.04405	1.5
137.05943	0.7
139.03868	0.3
145.02827	46.1
146.03175	0.6
147.04388	100.0
148.04727	2.6
149.04787	0.4
149.05966	6.7
151.03885	0.4
153.06978	0.3
158.05981	0.4
161.05920	0.4
162.03084	0.3
162.32291	0.2
163.03848	0.6
165.05472	0.3
167.07040	0.5
171.08014	0.2
174.06671	0.2
177.05446	85.8
178.05730	1.5
179.03346	0.3
181.05096	0.3
181.06490	1.2
181.08414	0.2
182.35472	0.2
183.08092	0.3
184.07376	0.2
186.05478	1.6
188.44701	0.2
191.07001	0.2
195.06516	0.2
195.08113	0.2
197.08028	0.6
199.07439	0.4
207.02855	3.4
207.07979	0.5
209.06104	0.3
209.08078	0.6
211.07501	0.4
213.09128	0.2
223.07564	0.2
227.06989	0.2
229.08453	0.2
233.05988	0.3
234.06642	0.3
235.07529	0.9
241.08505	3.0
242.09312	2.7
243.10150	0.4
252.07947	0.2
253.08565	0.2
255.06380	0.2
258.05313	0.4
259.09637	0.5
260.28378	0.2
263.07083	0.4
267.10101	0.7
270.05151	0.7
273.07480	1.7
285.07553	0.3
287.05374	0.5
293.08099	0.2
295.09537	0.8
301.03491	0.3
301.07187	0.5
302.04251	0.2
303.08707	0.2
311.09067	0.2
315.04950	2.5
316.05576	0.3
323.09070	0.3
329.06589	0.2
331.04068	0.4
331.08060	7.4
332.08307	0.3
342.33813	0.2
419.09695	1.2
449.12213	1.2
660.42993	0.2
661.19580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.00309	0.4
53.03950	0.7
55.01850	0.5
55.05495	0.3
57.03436	0.4
58.99575	1.3
59.98098	0.3
61.02922	0.7
63.02385	0.5
65.03938	1.1
67.01859	1.1
67.05509	0.9
69.03422	0.7
69.07055	0.5
69.37550	3.1
71.04977	0.3
79.05486	1.2
81.03408	1.3
81.07063	0.8
84.08125	0.4
85.02906	0.4
86.09708	0.6
86.99046	1.0
89.03912	4.2
91.04901	0.5
91.05475	9.7
92.05804	0.4
93.07037	1.0
95.04963	1.2
95.08646	0.4
97.02917	0.6
97.06503	0.4
99.04411	0.4
101.00614	0.5
103.05475	1.4
105.00089	0.6
105.03400	0.3
105.04448	0.3
105.07036	0.6
106.04163	0.6
107.04956	2.4
107.08586	0.7
109.02864	3.7
109.06529	2.6
109.10120	0.4
111.04430	0.3
117.03371	10.8
119.04932	14.4
120.05242	0.3
120.08115	0.4
121.06487	2.0
123.02613	1.0
123.04416	1.3
124.99989	0.5
127.03909	1.0
130.04102	0.4
131.01622	0.5
131.04936	1.8
132.05724	0.5
133.02852	4.1
133.06573	0.3
134.03607	0.9
135.04401	2.0
137.05966	3.8
139.03868	1.1
145.02835	23.9
146.03171	0.4
147.04399	49.8
148.04759	0.9
149.05981	4.0
150.82384	0.4
151.02109	1.7
151.03900	0.8
153.01833	0.9
153.05476	1.4
154.95445	0.3
155.07030	1.3
159.01016	0.7
160.05208	0.5
162.03198	0.6
163.03889	0.9
165.05481	4.8
166.06284	0.4
167.07033	7.6
176.04684	0.6
177.05457	47.0
178.02571	0.7
178.05846	0.5
179.01627	1.6
179.03168	0.6
180.07777	0.8
181.06950	0.5
181.08533	2.6
182.05775	1.0
183.08064	0.3
184.07277	1.6
186.05496	1.1
191.06998	6.3
192.07742	2.5
193.08565	1.2
195.93640	0.4
197.08072	10.3
197.65541	0.3
199.07530	0.4
207.02882	1.9
209.08046	5.0
213.05643	0.8
223.04155	1.0
227.06982	0.3
229.05191	0.4
235.07448	0.8
237.05769	0.7
239.07317	0.4
241.04898	0.7
241.08556	2.0
242.05670	2.2
242.09392	1.7
243.10184	0.6
254.05736	0.3
255.06702	0.6
258.05219	2.8
267.10095	0.5
269.04532	0.6
270.05219	8.5
271.05612	0.6
273.03931	1.9
273.07510	0.8
281.04797	1.1
283.06381	0.5
286.04718	1.2
287.05429	5.3
295.09457	0.4
299.05396	0.9
301.03458	2.4
301.07413	5.9
302.04214	3.2
312.05890	0.4
313.03436	1.0
313.07266	1.2
315.04956	39.8
316.05710	5.1
317.06055	0.3
323.05386	2.8
324.05792	4.1
325.06012	3.3
329.06705	0.7
331.08093	100.0
332.08456	3.2
401.17859	0.5
419.09702	1.3
426.09171	0.6
449.12057	0.6
479.12128	0.7
501.22916	0.6
641.34949	0.3
661.34155	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
63.44166	0.1
65.03928	0.7
67.05491	0.5
68.99783	0.4
69.03402	0.2
69.07040	0.2
70.12361	0.7
74.71687	0.2
78.04695	0.5
79.05483	1.2
81.03402	0.7
81.07059	0.8
81.07506	0.1
83.41917	0.2
85.02892	0.3
85.06452	0.2
91.04903	0.3
91.05472	5.6
93.07050	0.2
95.04958	0.6
95.08590	0.2
95.36125	0.2
95.90256	0.1
97.02888	0.3
98.21465	0.2
103.05437	0.2
106.04147	0.3
106.43127	0.2
107.04951	1.0
107.08614	0.2
109.02866	0.4
109.06510	0.2
109.10146	0.4
111.04439	0.2
117.03350	0.1
117.07066	0.2
119.04931	10.2
119.08598	0.2
121.10061	0.2
123.04423	1.5
124.05205	0.5
135.04395	0.5
137.06023	0.2
139.03908	1.0
145.02831	0.3
147.04395	27.1
148.04713	0.4
149.05949	0.3
151.03900	0.4
152.04668	0.4
153.01837	1.2
155.08501	0.1
163.03859	0.7
165.01805	0.2
165.06975	0.4
167.03349	0.2
167.07021	6.8
168.07324	0.2
173.11781	0.2
177.05475	0.7
181.04935	0.2
183.02856	0.4
184.07370	0.2
187.03949	0.4
193.06421	0.3
195.08032	0.2
197.05977	0.5
207.10214	0.7
211.02252	0.2
211.04082	0.2
211.07501	0.3
215.03410	0.3
221.05956	0.6
221.07953	0.2
224.66800	0.2
225.05489	0.8
229.04979	0.2
233.04398	1.4
234.06494	0.2
237.05429	0.4
239.06978	0.7
247.09679	0.2
249.05470	0.4
250.06339	0.4
251.07050	0.2
253.05031	1.0
255.06609	0.3
262.06210	0.3
265.04944	0.4
267.06519	2.4
270.05191	0.3
277.04987	0.9
281.04315	1.2
283.06015	0.2
287.05463	0.4
293.08047	0.3
294.05133	0.8
295.05978	2.8
297.03928	1.4
299.05499	0.6
299.08862	0.2
305.04309	0.2
306.05237	0.2
308.06754	0.2
309.03955	0.3
311.01862	0.4
311.05478	7.2
315.04904	1.0
322.04913	0.2
323.05466	100.0
324.05811	2.0
325.10660	0.2
326.04050	0.3
331.08105	2.4
340.09467	0.7
351.12192	0.2
357.07895	0.2
369.13599	0.2
373.07104	0.5
384.06573	0.3
385.07098	0.7
445.09262	0.2
449.12253	0.4
477.11761	6.8
478.12500	0.2
479.29550	0.2
593.56342	0.2
659.32379	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	658.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
57.59097	0.5
61.02916	0.5
67.05486	1.6
70.06582	50.1
71.04993	1.2
71.06535	1.1
72.08144	32.4
79.05470	1.8
81.03400	1.4
81.07042	2.0
84.08128	1.1
85.02892	0.6
85.07576	0.5
86.09695	100.0
87.09241	1.0
87.10003	0.9
88.07626	0.5
91.04989	0.6
91.05440	3.1
93.07010	1.7
95.04945	1.5
95.08593	1.1
96.08112	1.2
97.02862	1.1
97.07628	4.0
97.10118	0.7
98.06023	1.0
98.09670	2.2
103.05453	2.5
105.07004	2.3
106.58344	0.6
107.04948	0.9
111.04453	0.7
112.11226	1.8
113.07079	0.7
114.09156	0.7
114.10286	0.8
115.08677	57.5
116.07103	0.7
119.04925	2.8
119.08578	0.6
120.08085	77.1
121.10095	0.7
123.04419	1.8
124.11191	1.0
127.03918	1.0
129.07027	0.6
131.08626	0.6
135.04402	1.9
138.12802	1.3
139.03909	2.0
140.14334	3.5
141.10213	2.5
145.02808	1.2
146.09621	1.8
147.04393	6.9
151.03873	0.9
151.12267	1.0
154.15919	0.9
157.13345	19.0
163.03870	2.6
165.10260	2.2
165.27545	0.6
166.09842	0.6
167.11835	1.2
168.15034	1.0
169.13338	3.5
172.11206	1.5
174.12788	2.5
177.05461	2.2
179.11777	2.3
183.14957	2.4
185.11162	0.9
185.12843	20.6
185.16457	22.1
186.15863	0.7
188.14304	3.3
194.12910	0.6
196.14433	7.1
197.12836	1.1
207.10117	0.6
211.18091	1.5
213.12585	0.9
213.15948	21.6
214.15581	1.8
217.13304	7.5
219.14891	1.3
224.13820	0.8
225.19652	0.7
226.13496	0.6
228.10071	0.8
233.16473	7.7
239.17551	1.9
242.14937	0.6
244.14482	0.9
247.14450	1.6
253.19115	1.6
253.22906	1.2
259.18066	1.2
261.15921	6.9
262.15491	18.5
266.18375	0.8
272.13849	0.8
280.20175	0.6
284.19629	10.9
287.17563	2.8
287.20761	0.9
292.20313	1.0
298.21164	3.5
301.06985	0.9
310.21371	0.6
313.18811	0.8
315.20947	1.5
319.84595	0.7
323.05539	1.1
324.05640	0.9
327.24084	0.8
331.08176	2.1
332.19675	5.4
343.21152	3.2
352.26123	0.9
360.22888	1.6
361.22375	2.5
369.28555	6.7
375.23761	3.9
386.24326	1.2
397.27963	6.8
398.27985	0.7
400.25818	0.9
403.26996	1.0
410.53928	0.6
417.28546	1.8
431.26474	7.4
432.26929	0.7
445.28088	4.7
446.27512	5.0
456.29492	1.0
473.31201	0.7
474.30725	2.3
499.32672	2.5
516.35425	5.7
527.33148	1.0
539.35388	1.7
544.34924	10.2
545.34174	2.7
559.35962	7.2
630.43079	3.0
640.41779	16.6
641.40161	2.9
658.42773	73.2
659.33008	0.7
659.43207	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	658.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11208	0.8
53.03931	2.5
55.01850	2.0
55.05509	5.5
57.03435	10.6
57.07056	3.6
58.06569	1.1
61.02913	2.6
64.46783	0.8
64.89153	0.9
65.03935	1.5
66.06638	1.0
67.05125	1.5
67.05495	24.6
69.03416	1.1
69.07062	8.5
70.06562	3.4
70.29825	3.0
71.04987	2.6
71.08596	1.6
73.02901	1.2
74.41471	1.0
79.05487	15.9
81.02927	2.1
81.03407	38.5
81.07046	31.9
83.04965	3.9
83.08607	13.6
85.02885	3.5
85.06515	1.5
88.07613	3.4
91.03939	1.6
91.05466	14.1
93.06480	1.8
93.07030	22.9
95.04951	13.1
95.08595	9.3
97.02892	2.2
97.06536	5.4
97.10139	1.3
99.08072	1.5
102.09156	3.7
105.07019	8.0
107.04943	2.8
107.08576	11.5
109.06481	3.2
109.10146	2.9
111.05592	1.2
111.08051	4.7
113.05963	1.2
117.07001	4.6
119.08558	6.4
121.06482	1.9
121.10131	9.2
123.08044	1.4
123.11692	1.4
129.07011	4.0
130.98257	1.1
131.08546	7.0
133.06473	0.8
133.10098	5.0
135.08026	1.8
135.11687	4.4
139.61269	0.9
147.04333	1.2
147.08058	1.5
147.11670	3.8
149.02332	6.4
149.09618	2.7
149.13234	12.6
157.10109	4.8
159.11653	5.7
160.26788	0.9
165.12772	1.2
175.11142	5.2
177.12685	2.3
193.04916	7.3
193.12184	9.4
195.13794	4.6
237.07570	1.6
256.26358	8.0
267.15878	49.9
269.17441	62.3
270.17645	1.2
291.19406	1.7
299.25800	3.7
317.26846	2.1
341.06485	1.3
369.24014	1.0
385.09225	3.3
429.11835	3.8
435.27368	3.6
461.28915	100.0
462.29300	3.2
479.29926	1.6
503.29608	2.7
516.50201	1.0
658.35553	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	657.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.4
55.01860	11.7
55.05505	32.8
57.03432	36.5
59.05005	3.0
61.02920	81.0
65.03929	7.9
67.05499	72.8
69.03422	40.8
69.07060	18.6
70.03714	17.4
71.01326	5.7
71.04986	9.7
73.02914	28.4
74.12201	3.3
75.04485	3.4
76.69592	2.7
79.05480	54.6
81.03415	43.3
81.07043	76.0
83.04979	17.4
83.08608	17.4
85.02898	100.0
85.06577	4.0
91.03955	57.2
91.05471	64.2
93.07031	62.2
94.07410	3.0
94.11417	3.6
95.04947	17.1
95.08607	31.2
97.02879	72.7
97.06515	9.4
97.10166	12.0
99.04439	11.8
99.12437	3.2
101.02372	9.6
103.03936	4.7
103.05478	5.9
105.07021	59.4
107.04949	9.6
107.08569	40.1
109.02881	14.8
109.06500	8.3
109.10151	21.4
111.04423	7.9
111.08085	8.1
112.37563	3.1
115.03951	7.8
116.52544	3.7
117.06999	32.7
119.04937	4.2
119.08567	44.5
121.06490	7.4
121.10106	26.6
123.08081	8.3
123.11679	5.9
125.05849	3.2
125.09654	11.8
127.03909	34.6
128.06201	4.5
129.05457	4.8
129.06956	16.9
131.08556	39.2
132.08920	4.9
133.06461	4.1
133.10118	31.1
135.08012	6.3
135.11676	13.8
137.09608	4.5
141.06956	5.1
143.08537	16.3
145.04936	21.1
145.10089	20.8
147.04427	6.9
147.08063	6.4
147.11655	29.3
149.09569	8.2
149.13263	12.2
151.07492	3.2
154.07729	3.3
155.08522	8.6
157.10146	13.1
159.07971	5.2
159.11630	18.8
161.09647	4.2
161.13289	12.9
163.06108	4.9
163.11169	8.3
165.12717	5.5
167.08478	3.4
169.10130	8.8
171.11711	9.2
173.11781	5.3
173.13274	9.7
175.11227	7.2
175.14836	6.4
181.12283	4.7
183.06531	7.7
183.08055	4.3
183.11711	5.2
184.07178	4.0
185.09659	3.6
185.13235	7.3
187.11128	3.7
187.14876	4.9
189.11197	8.3
189.12784	6.5
193.12201	5.7
195.11569	5.7
197.13170	6.7
199.14815	3.6
211.13242	4.1
213.12704	4.3
215.14256	6.9
216.14790	5.1
217.12346	3.8
227.12683	11.5
229.14328	4.0
241.19501	8.3
253.19905	4.2
257.19049	4.6
259.20520	17.0
267.15912	25.6
277.21808	3.9
285.16821	7.5
301.21579	7.8
313.21600	8.0
315.22971	4.5
321.52789	3.4
325.21408	4.2
333.24243	32.1
334.24557	4.1
339.23114	6.7
349.21713	9.2
367.22693	9.0
375.25162	6.3
385.23682	6.6
403.24838	5.4
417.26349	7.0
423.26825	7.7
441.26181	23.4
442.26691	24.6
442.86078	3.9
459.27411	27.3
460.27795	25.7
477.28430	36.2
495.29172	16.3
639.33069	4.6
657.33887	9.8
657.43549	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	657.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.3
53.03930	8.2
53.93577	2.0
55.01853	8.8
55.05505	20.3
57.03198	2.4
57.03433	24.4
57.07074	2.5
61.02608	4.6
61.02922	90.1
65.03943	3.7
65.69643	2.0
66.75140	2.3
67.05499	43.2
69.03421	39.3
69.07058	12.8
70.49034	6.7
71.01331	5.7
71.04979	9.9
72.04320	1.9
73.02913	35.2
75.04479	2.4
78.08521	2.0
79.05486	51.8
81.03416	35.9
81.07052	46.8
83.01326	2.4
83.04962	9.9
83.08601	9.5
85.02898	100.0
85.06536	2.3
85.47800	2.1
86.03220	2.2
91.03516	2.3
91.03946	56.2
91.05473	52.2
93.07031	45.1
95.04950	15.7
95.08603	28.8
97.02886	67.2
97.06527	7.3
97.10155	7.8
99.04443	12.0
99.08094	2.9
101.02372	8.7
103.03932	5.9
103.05486	3.1
105.04485	2.5
105.07022	50.5
107.04938	7.3
107.08582	26.2
109.02856	13.4
109.06500	7.3
109.10165	16.3
111.04424	7.7
111.08083	4.1
115.03928	6.1
115.05403	3.5
117.05441	2.6
117.07014	22.3
119.08577	37.8
121.06503	5.7
121.10121	19.4
123.04385	2.6
123.08039	5.3
123.11691	3.0
125.05949	2.7
125.09617	5.2
127.03897	27.1
128.06168	3.6
129.05476	5.9
129.06992	17.7
130.29193	2.3
131.04880	2.3
131.08546	24.4
133.06459	3.0
133.10117	24.0
135.08017	4.6
135.11662	12.3
137.06013	2.5
141.06978	5.0
142.07707	3.0
143.08565	16.0
145.04935	15.6
145.06441	3.8
145.10132	23.5
147.04379	8.0
147.08043	2.7
147.11674	21.5
149.09602	6.5
149.13231	7.5
151.11136	2.3
155.08517	4.3
157.10129	13.8
159.08011	4.4
159.11671	18.7
161.09584	4.1
161.13243	10.9
163.06041	6.5
163.11153	6.0
163.14790	2.4
167.08594	4.1
169.10124	5.9
171.11694	13.7
173.09607	4.7
173.13220	11.5
175.11159	5.2
175.14781	4.9
177.05490	3.1
177.12755	4.0
181.10242	2.5
182.11005	3.1
183.08102	4.4
183.11684	6.1
185.09625	2.5
185.13184	7.3
187.11203	2.5
189.12738	2.7
193.10094	2.2
195.11693	3.2
197.09404	2.1
197.13263	7.4
199.11218	2.8
199.14847	3.3
201.12782	3.8
202.92696	2.1
207.13747	2.3
209.13275	4.6
211.14883	2.9
213.12737	3.6
225.12738	2.9
227.12682	5.0
241.19475	7.0
257.19186	3.8
259.20557	20.0
267.15942	8.5
275.20041	3.8
277.21640	4.1
285.21838	4.6
301.16687	2.4
301.21585	7.5
313.21625	2.9
313.58734	2.4
333.24219	33.5
334.24637	3.0
339.22458	2.6
349.21420	3.3
367.22556	7.5
375.25171	4.1
385.23825	4.9
387.24988	3.5
403.24634	3.0
429.26392	3.5
441.26331	13.7
442.26605	4.5
451.26352	2.2
459.27493	14.2
460.27847	6.3
477.28461	17.7
495.29562	11.6
527.63531	2.6
639.34137	2.8
657.34448	8.3
657.43555	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01866	0.3
55.05501	0.6
57.03423	0.2
65.03935	4.6
67.01854	0.2
67.05500	0.8
69.03416	0.4
69.07081	0.2
70.06597	0.3
70.14106	0.7
70.45007	0.2
71.01360	0.2
71.04985	0.2
79.05482	0.6
81.03408	1.4
81.07039	0.3
83.04975	0.6
83.08588	0.4
83.15387	0.2
85.02907	0.4
86.09692	0.2
91.05475	1.3
93.03394	2.5
93.07043	0.4
95.04951	0.9
95.08611	0.4
96.02098	0.8
97.02859	0.4
97.10116	0.2
99.04446	0.2
105.07051	0.4
107.04956	0.5
107.08570	0.3
109.02853	0.5
109.06524	0.2
109.62395	0.1
111.04430	3.3
119.04948	1.6
119.08562	0.2
121.02807	0.2
121.06485	0.3
123.04419	0.4
124.01561	0.4
124.05118	0.2
127.03899	0.4
133.06514	0.2
135.04404	0.2
139.03894	4.9
145.02849	0.4
145.06487	0.2
147.04405	3.3
147.11682	0.2
149.02351	0.5
149.05923	0.5
151.03902	0.6
153.01814	10.6
155.08507	0.2
162.06747	0.7
163.03868	0.2
163.07486	0.2
163.11200	0.2
165.05449	0.3
167.03380	0.8
167.07010	0.4
170.02095	0.3
171.02913	0.3
175.03821	0.2
177.05521	0.7
189.05547	0.2
193.12343	0.2
197.05867	0.2
201.05522	0.3
207.06482	0.2
213.05443	1.7
216.04153	1.6
227.06978	0.2
228.04358	0.2
229.04996	0.3
229.08672	0.3
230.05725	0.6
240.04202	0.2
241.04959	4.2
242.05710	1.1
243.02916	0.2
243.06468	1.1
253.05016	0.4
255.06575	0.7
256.03885	0.1
256.07373	0.5
257.04422	3.6
258.05243	1.9
259.06049	0.5
267.15872	0.3
269.04468	1.3
269.07074	0.2
270.05203	2.2
271.03015	0.2
271.05862	0.9
272.03476	0.4
272.06793	2.1
273.03918	0.9
273.07562	1.9
283.06064	1.3
284.03290	0.3
284.06638	0.6
285.03931	0.5
285.07495	0.4
286.04736	2.0
286.08353	2.3
287.05493	5.0
288.05701	0.2
299.05469	1.8
300.06232	1.1
301.03485	0.6
301.07080	2.0
302.04214	0.7
311.05307	0.4
313.03452	0.4
313.06992	3.0
314.04474	0.6
314.07813	16.3
315.04965	7.4
315.08640	22.8
316.05713	1.3
316.08972	0.5
329.06528	2.4
329.10001	0.2
330.07300	0.4
331.04456	0.2
331.08063	0.2
335.05521	0.3
338.07867	0.3
349.07068	0.3
363.04895	0.9
363.08899	0.2
364.05829	0.7
367.08167	0.6
392.05231	1.5
403.07974	0.4
405.05914	0.3
417.05798	0.4
419.07928	0.4
420.04565	1.4
421.09534	0.3
423.07132	0.3
431.07419	0.2
435.07086	13.2
436.07471	0.4
449.08804	1.2
459.27277	0.3
465.07855	0.4
466.09174	0.4
477.28320	0.5
481.11258	100.0
482.11548	4.1
495.13058	1.6
657.14380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94204	1.5
55.01855	4.5
55.05503	21.9
56.12157	1.3
57.03441	2.8
57.06012	1.2
61.02911	2.9
67.05497	22.6
69.03416	4.8
69.07065	7.2
69.07366	1.2
71.04980	2.9
71.52615	1.9
74.77915	1.3
79.05487	19.7
80.05823	1.7
81.03409	6.1
81.07055	16.9
83.04974	2.9
83.08607	11.4
85.02891	3.4
91.03971	1.9
91.05478	20.1
93.07027	10.5
95.04958	4.3
95.08581	7.2
97.02892	3.6
97.06511	2.9
97.10160	25.6
102.20908	1.3
103.05470	3.2
105.07013	17.9
107.04961	2.4
107.08583	15.5
109.06528	2.4
109.10132	5.1
115.05434	3.2
117.07010	17.2
119.04801	1.4
119.08585	11.3
121.06469	2.9
121.10143	3.4
123.08043	1.3
125.09614	22.4
128.06190	2.6
129.06975	10.3
131.04897	1.6
131.08571	17.7
133.06476	2.4
133.10118	3.2
135.08057	4.9
141.06950	5.2
143.08568	7.4
145.06450	5.7
145.10141	5.2
147.04420	2.1
147.08031	1.7
149.09627	2.5
149.13316	1.5
153.09085	3.4
155.08514	6.4
156.87723	1.5
157.06511	3.1
157.10069	3.1
159.08009	1.6
159.11713	1.5
163.11229	1.6
167.08499	3.1
169.06453	1.5
169.10141	4.3
171.08092	2.5
171.11552	2.8
181.10063	1.7
185.13162	1.8
187.14815	3.9
189.11162	8.4
195.08035	1.6
195.11658	1.9
197.13261	7.3
209.13240	1.9
213.12779	3.5
215.14255	13.6
227.12654	8.0
233.15324	3.5
239.14322	1.3
243.13695	1.3
243.61572	1.3
255.13831	1.5
257.15350	1.6
273.14880	3.1
287.05457	1.8
288.05750	1.5
316.05170	1.5
321.22354	1.6
339.22916	3.0
349.21631	5.1
367.22623	7.9
385.23370	6.6
403.24854	3.0
441.26300	23.8
459.27386	100.0
460.27667	3.7
477.22150	2.4
477.28378	30.8
478.29050	1.4
585.30652	2.0
603.31152	1.6
649.78064	1.4
657.34180	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	655.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
57.03430	3.1
57.07069	27.7
61.02914	7.7
64.93818	0.5
67.05490	10.0
69.03445	1.2
69.07056	6.0
69.97123	1.8
69.97530	1.1
71.04985	0.7
71.08247	1.2
71.08622	22.6
73.02911	2.7
74.46194	0.5
75.04449	1.9
79.05482	1.6
81.06593	1.0
81.07045	12.0
83.04971	0.6
83.08609	8.2
85.02895	7.6
85.06528	0.9
85.10174	14.2
88.95441	0.6
89.05997	0.9
91.03941	7.7
91.05461	1.3
93.07030	1.6
95.04942	0.6
95.08592	18.7
97.02879	4.7
97.10158	4.3
99.04410	0.7
99.11724	1.0
105.07013	1.4
109.10145	8.9
111.11705	1.4
119.08552	0.9
121.10121	0.8
123.11679	4.1
125.13265	0.8
127.03883	3.5
129.07054	0.6
133.10118	1.0
137.13249	2.3
137.89516	0.6
145.04942	4.1
145.10100	0.9
148.69237	0.5
163.06013	4.6
176.26756	0.5
221.22638	1.3
238.21893	0.6
239.23676	25.1
240.24022	0.8
257.24750	4.1
273.18457	0.7
291.19308	0.7
298.27603	0.7
313.27322	100.0
314.27612	2.4
331.28387	13.7
475.32629	1.9
528.80096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61480	0.9
53.03180	0.9
53.03939	1.9
55.01852	3.3
55.05504	26.4
57.03422	4.2
59.04983	1.2
61.02922	1.9
65.03932	1.4
67.05499	22.9
68.64016	0.8
69.03431	4.2
69.07063	6.1
71.04991	1.8
71.25856	1.7
79.05486	24.6
81.03411	3.9
81.06593	1.2
81.07046	18.5
83.04977	3.5
83.08611	15.9
85.02885	2.8
85.06527	1.2
91.03944	1.6
91.05471	19.9
92.66149	0.8
93.07025	10.3
93.80791	0.9
95.04962	3.8
95.08578	6.6
97.02890	2.1
97.06536	1.6
97.10157	28.8
99.08068	0.9
103.05449	11.9
105.07015	17.8
105.36999	0.8
106.07344	1.1
107.04935	3.4
107.08585	11.1
107.13308	1.0
109.02858	1.1
109.06506	2.4
109.10122	4.5
111.08072	2.4
115.05421	4.7
116.06222	1.0
117.07005	29.4
119.04931	1.6
119.07817	1.0
119.08574	11.4
121.06487	2.9
121.10131	2.1
123.04447	0.9
123.08035	1.6
125.09615	20.4
128.06229	3.3
129.06992	13.5
130.07733	1.2
131.04916	1.7
131.08548	22.0
133.06488	5.6
133.10068	4.3
135.08061	5.3
135.11624	1.1
137.09625	1.3
141.06995	6.4
141.59837	1.0
143.04851	1.8
143.08542	8.3
145.06482	8.3
145.10117	6.3
147.04404	3.1
147.08058	2.9
147.11632	1.0
149.09634	4.3
153.06966	1.8
153.09050	3.5
154.07726	1.3
155.08516	9.2
157.06473	2.4
157.10054	2.8
159.08078	4.0
159.11679	2.6
167.08543	3.9
168.09477	0.9
169.10098	5.6
171.08032	2.4
171.10284	1.5
171.11670	3.0
173.09824	1.0
175.11145	1.1
179.08630	0.9
180.09447	0.9
181.10164	2.0
183.11682	1.6
185.09760	0.9
185.13234	1.6
187.11205	1.0
187.14781	6.3
189.11194	10.2
195.11700	1.4
197.13263	8.2
205.10091	1.1
209.13271	1.8
213.12686	1.6
215.14279	33.2
215.16357	1.8
221.13284	1.5
223.11150	1.7
225.12688	1.4
227.12730	21.1
237.12814	1.2
241.12318	1.4
245.13847	2.2
255.13843	1.5
267.15884	1.1
269.15555	1.4
271.16937	2.8
287.16568	1.2
289.18048	1.5
339.23239	2.0
349.21637	4.9
360.85336	0.9
367.22681	13.2
385.23740	8.9
403.24576	2.6
423.25433	1.1
441.26321	50.0
442.26694	2.3
459.27356	100.0
460.27533	3.3
477.28351	12.7
558.79327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.6
53.03942	10.9
55.01864	6.6
55.05510	23.7
57.03428	14.8
57.07077	2.4
59.04989	2.2
61.02919	2.5
65.03932	6.1
67.05502	59.7
69.03426	17.9
69.07066	14.4
71.04990	42.7
71.52318	3.0
72.08144	1.4
73.66412	1.3
79.05489	38.7
81.03415	100.0
81.07052	86.7
83.04972	23.6
83.08615	21.7
85.02901	26.3
85.06516	10.3
85.07654	1.6
86.09711	5.3
87.04472	2.1
91.04907	3.5
91.05474	60.3
92.05799	1.5
93.07037	32.3
95.04967	29.7
95.08594	15.0
97.02892	17.0
97.06526	10.3
97.10162	6.6
99.04441	5.0
99.08096	2.6
103.05451	2.0
105.07024	42.4
107.04937	12.8
107.07966	2.1
107.08601	18.9
109.02879	16.4
109.06539	9.3
109.10164	11.2
111.04439	10.7
111.08072	10.1
113.06022	4.3
115.05489	3.4
117.07027	11.8
119.04935	6.8
119.08563	19.4
121.06513	5.7
121.10150	13.5
123.04414	3.7
123.08074	4.1
123.11696	12.3
125.06031	1.9
125.09631	4.2
127.03893	9.6
128.06155	2.5
129.05475	2.7
129.06992	12.7
130.07790	1.7
131.04904	1.7
131.08574	19.4
133.06487	19.4
133.10139	26.6
133.11128	2.6
135.04385	2.2
135.08012	3.1
135.11646	7.6
137.05928	8.1
137.09616	1.6
141.07042	2.5
142.07805	1.9
143.08557	2.7
145.06441	2.6
145.10156	6.8
147.04410	12.8
147.08038	4.0
147.11667	17.0
149.09618	6.1
149.13245	6.8
151.11119	7.9
155.08574	4.0
157.06462	3.3
157.10141	11.4
159.08005	1.7
159.11697	8.4
161.09669	2.5
162.15781	1.5
163.11198	2.7
165.05533	1.4
165.12772	4.3
169.10114	4.2
169.12212	2.7
171.11702	2.1
173.04472	10.2
173.09766	1.4
175.11169	10.9
177.12781	5.6
181.10193	1.7
183.11598	1.9
183.13818	4.4
187.07472	2.9
187.13255	13.6
191.10548	1.9
193.12239	29.6
193.13916	2.8
195.13792	6.5
201.14874	4.7
207.13829	2.2
207.32422	1.5
211.13278	46.5
213.14941	1.6
225.14871	3.0
227.12782	3.9
229.14313	2.5
249.14992	2.1
257.17514	2.9
258.05286	1.6
267.16003	9.3
269.17389	2.5
270.05203	5.1
277.14130	2.0
283.15424	2.2
285.16989	6.1
287.05554	4.7
295.09644	4.6
299.05679	3.4
299.18546	2.9
301.20038	1.8
302.04095	1.8
307.09564	2.1
315.04980	20.8
316.05539	3.4
321.16946	2.5
331.08093	60.2
332.08380	4.3
333.22162	1.6
339.18109	5.9
343.22635	2.4
351.17996	1.8
351.22845	1.7
395.20563	4.8
411.19922	1.9
427.23245	2.3
435.27365	10.5
443.27826	4.1
451.30984	2.6
453.28540	11.0
461.29007	11.4
467.30209	7.9
475.30344	2.0
477.28406	3.1
479.29669	4.5
491.13190	3.1
493.31165	2.6
495.29044	2.2
511.32639	10.4
545.31525	1.9
569.31085	2.4
601.33453	1.7
605.32886	2.7
623.33868	9.7
637.34644	2.2
655.36859	38.5
656.37177	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	655.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.00304	0.2
53.03940	0.5
55.01868	0.3
57.03407	0.2
63.02385	0.3
65.03925	1.8
67.05520	0.4
68.99780	0.3
69.03428	0.3
70.06591	0.3
70.12644	1.0
73.02928	0.3
77.03925	0.6
79.01847	0.3
81.03410	0.9
81.28017	0.2
85.02889	1.4
89.03898	1.0
91.05466	27.6
92.05777	0.3
95.04960	0.5
97.02870	0.4
103.05460	0.6
105.03387	0.8
107.04905	0.3
109.02864	0.6
117.03407	0.2
118.04148	0.6
119.04924	35.2
120.05241	0.5
121.02877	0.5
122.03637	0.4
127.03928	0.4
129.03342	0.8
131.04918	0.5
132.02054	1.2
133.02814	0.6
135.04381	1.0
136.04208	0.2
136.05150	1.0
137.02313	4.7
137.03264	0.2
141.01804	0.2
145.02835	0.8
147.04385	28.6
148.04733	0.5
149.02306	1.4
149.05894	0.2
150.03101	0.3
153.01776	0.5
157.03952	2.9
161.02347	0.6
163.03871	0.7
164.04695	1.1
165.01820	1.3
165.05377	0.2
167.03329	0.7
171.02832	0.5
175.03882	54.4
176.04271	1.0
177.01787	0.5
177.05429	0.3
179.03377	0.5
179.07004	2.0
183.02870	0.7
187.03853	0.2
192.04118	0.5
195.02859	0.9
203.03380	0.5
203.07278	0.2
207.06494	100.0
208.06801	1.6
213.05365	0.2
215.03355	0.4
217.04939	0.3
220.99036	0.2
226.06371	0.3
227.07024	0.7
229.04916	0.6
241.04889	0.3
243.06468	0.8
244.07388	0.2
254.05626	0.5
254.26274	0.3
257.04401	0.3
259.06039	0.9
271.05936	2.0
272.06717	3.4
283.05908	0.7
284.06860	0.4
286.04752	0.4
287.05515	1.8
299.05463	8.4
300.06238	12.2
301.06998	1.5
311.05447	4.7
313.06921	1.7
314.07825	0.6
315.08603	0.5
321.07568	0.2
323.05731	0.4
325.07034	0.6
327.04987	0.5
329.06494	65.3
330.06839	1.9
332.05109	0.3
339.04980	0.3
339.08698	0.6
341.06552	0.4
349.07108	0.6
353.06461	2.0
359.07565	0.4
367.08182	0.2
371.07373	0.3
377.06409	1.0
383.07434	0.5
395.07443	2.3
413.08734	1.3
431.09686	3.2
449.10715	4.2
475.10089	0.8
493.11508	0.3
619.14142	0.5
637.15533	1.2
655.16473	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1864
Annotation	Iristectorigenin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
55.01852	0.1
56.79570	0.1
57.74911	0.1
61.02898	0.1
69.03426	0.7
69.34100	0.1
70.06552	0.5
71.52702	0.1
72.08117	0.2
79.05479	0.1
81.03393	0.3
81.66342	0.1
84.03329	0.1
84.08124	0.1
85.02448	0.2
85.02896	2.1
86.09658	0.4
91.05451	0.2
95.04917	0.2
95.48074	0.1
97.02886	0.6
98.78905	0.1
105.07016	0.1
109.02840	0.3
110.07121	0.1
120.08100	0.2
120.93850	0.1
121.02818	0.2
127.03863	0.5
137.02325	0.3
137.95508	0.1
145.04890	0.3
147.04408	0.2
151.03830	0.1
153.01839	0.7
154.02547	0.2
163.03867	0.3
167.06918	0.2
171.02827	0.3
175.03955	0.1
177.05490	0.2
178.02533	0.3
184.23518	0.1
199.30020	0.1
205.04932	0.1
207.06476	0.3
209.08063	0.3
215.68623	0.1
229.04968	0.1
241.04907	0.2
242.05714	1.6
246.11525	0.1
258.05170	1.3
259.05881	0.1
269.04422	0.3
270.05209	7.2
271.05658	0.3
273.03961	1.0
274.04550	0.2
277.09631	0.1
282.80374	0.1
285.04132	0.1
286.04657	0.9
287.02191	0.2
287.05453	3.8
297.04230	0.1
297.66626	0.1
298.04880	0.2
299.05389	0.5
300.43637	0.1
301.03394	2.1
302.04181	2.9
313.03336	0.6
315.04947	29.5
316.05658	3.3
317.06476	0.7
329.06747	0.1
331.08075	100.0
332.04553	0.1
332.08386	2.6
347.07611	0.1
373.09058	0.2
493.13425	1.0
655.19128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05013	0.3
57.07068	0.6
58.05832	0.2
58.06595	6.1
63.07241	0.2
67.05491	0.3
69.03412	0.3
69.07064	1.8
69.76671	1.5
70.06584	0.4
71.20470	0.2
72.08146	3.1
73.06544	1.9
81.07068	0.5
83.04967	1.3
83.08627	0.3
84.08118	0.3
85.08983	0.2
86.09701	30.7
89.61946	0.2
97.10152	0.3
98.06023	0.4
98.09671	0.3
100.11250	100.0
101.06024	2.4
101.11578	0.9
119.08575	0.3
126.09128	0.3
128.10709	0.6
146.11758	2.8
154.12244	0.7
154.15895	4.2
157.09749	0.4
167.53819	0.3
168.13814	1.2
172.13356	1.6
186.14865	1.7
190.77391	0.3
196.13306	0.4
200.16359	1.3
206.19777	0.2
210.14954	0.5
210.66899	0.2
211.94057	0.3
214.14412	1.1
225.15965	0.6
228.15915	5.3
285.21722	6.1
287.23532	0.3
309.21796	0.7
313.21234	0.6
313.24786	8.2
327.22778	0.8
341.24341	13.6
381.27371	0.3
409.26950	1.2
426.33340	0.5
440.31024	0.3
454.32803	2.1
472.33792	4.6
498.35397	0.7
526.35016	0.4
540.36481	0.5
614.46930	0.3
625.45306	28.1
626.45514	1.3
653.44769	6.8
654.44647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62942	0.5
55.05497	2.9
56.05036	0.7
57.03415	1.3
63.52947	0.6
67.05495	7.2
69.07043	2.6
71.53664	1.1
73.35402	0.6
79.05481	6.1
81.03386	0.7
81.07050	7.3
82.06581	1.4
83.08594	0.9
86.09694	0.9
91.05466	2.4
93.07020	6.6
94.06588	0.8
94.83822	0.7
95.04964	1.6
95.08596	4.8
96.08118	1.0
98.98442	0.8
99.99496	0.8
105.06995	2.8
106.06551	2.1
107.05016	0.6
107.07349	5.2
107.08595	4.2
108.08114	6.6
109.10130	2.0
110.09627	1.0
116.95151	0.6
119.08578	1.7
120.08067	0.8
121.08846	1.5
121.10120	2.3
122.09647	2.0
123.10432	0.8
123.11664	0.8
124.01556	0.7
124.11192	2.6
124.99994	3.7
131.08530	0.8
133.10075	1.6
134.09637	6.4
135.10420	33.7
135.11624	2.0
135.30075	0.7
136.11191	2.7
137.09483	0.7
137.12009	0.8
143.55008	0.6
148.11194	1.5
149.12035	3.7
149.13141	1.0
150.12758	3.8
152.14362	3.9
159.11684	0.8
166.12259	0.7
167.09355	3.6
168.04173	0.6
176.14366	1.1
178.15887	53.1
179.16190	1.3
179.57552	0.7
180.17451	13.1
184.07368	1.6
196.16943	4.2
221.79117	0.7
222.08943	1.1
222.18521	5.8
240.19510	1.5
255.68825	0.8
276.13553	79.6
277.13757	1.0
278.15085	1.7
320.16171	100.0
321.16364	1.5
335.25766	5.6
592.37463	1.0
610.38312	4.0
636.39844	1.6
654.40979	7.4
682.56519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.2
61.02916	0.2
66.93572	0.1
69.03425	0.5
70.06576	0.2
70.86185	0.2
71.01341	0.1
73.02922	0.2
81.03410	0.3
85.02888	2.0
95.01327	0.2
97.02873	0.7
99.04453	0.1
109.02850	0.2
113.02378	0.2
127.03897	0.4
128.11002	0.1
141.01797	0.7
145.04929	0.4
153.01793	0.9
159.02878	0.1
162.15977	0.1
165.05487	0.1
167.03374	0.2
171.02841	0.1
186.17821	0.1
191.03381	0.3
192.04054	0.1
203.03360	0.1
217.04968	0.2
228.04146	0.1
271.06094	0.2
273.03833	0.2
274.04672	14.2
275.05035	0.2
285.04056	0.1
302.04153	29.9
303.04507	0.8
313.07019	0.2
317.06488	100.0
318.06866	1.9
329.06558	0.3
331.08044	0.2
359.07501	0.2
475.08325	0.1
493.09644	5.3
494.09912	0.2
544.08331	0.1
655.15015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40474	1.7
53.03931	6.7
55.01855	4.1
55.05503	35.1
57.03436	10.8
57.07070	5.3
59.04988	3.4
65.03947	4.2
67.05498	100.0
69.03426	23.5
69.07060	15.5
71.04993	10.2
71.26295	2.1
71.26619	2.6
73.02900	2.1
77.51102	1.9
79.05485	31.4
81.02921	3.3
81.03410	59.9
81.07047	55.7
83.04971	20.9
83.08619	13.7
85.02890	5.3
85.06538	3.7
91.05459	23.7
93.07038	31.1
95.04956	9.2
95.08601	40.8
97.02892	16.3
97.06518	5.2
97.10172	15.8
99.04460	4.2
105.07014	20.5
106.36662	1.8
107.04922	3.2
107.08580	24.9
109.02887	11.1
109.06516	7.5
109.10143	61.0
111.04427	12.5
111.08051	6.0
115.05402	2.6
117.06986	9.7
119.08578	17.8
121.06547	2.8
121.10130	15.0
123.08060	2.4
123.11700	8.6
123.31268	1.8
125.09629	15.9
127.03905	10.1
128.06241	2.4
129.05476	10.0
129.06992	7.5
131.08548	15.8
133.06458	3.3
133.10109	12.6
135.08026	6.0
135.11671	8.8
137.09633	4.9
139.11150	2.0
141.06953	2.3
142.07707	1.9
143.08562	7.8
144.91286	1.9
145.06424	3.7
145.10135	11.4
147.08061	3.3
147.11684	6.4
149.09599	3.3
149.13266	3.2
153.09059	3.4
153.70395	2.0
155.08559	2.3
155.10721	4.1
157.10115	5.4
159.11659	7.7
161.09615	2.8
161.13229	4.1
164.98470	2.2
167.08537	2.5
169.10188	2.7
171.08049	3.5
171.10223	1.9
171.11638	4.0
173.11746	19.7
173.13194	4.7
175.11226	2.0
175.14839	3.1
177.12808	2.0
183.11707	4.8
185.13271	3.3
189.11197	12.3
195.11774	2.1
201.12796	2.2
211.14880	2.9
213.12674	3.4
223.14886	2.3
227.12727	22.3
229.14328	30.0
245.13884	4.5
259.20538	4.6
261.22055	4.6
263.23514	2.3
277.21664	3.3
291.23337	2.4
297.13065	2.1
301.21716	3.5
335.25800	8.5
337.27219	12.2
351.23090	4.5
353.24759	2.1
369.24124	11.7
371.17032	6.7
373.18561	6.0
387.25388	5.7
434.86047	2.0
443.27844	3.2
461.28973	4.3
479.29938	4.1
487.33673	2.3
489.35757	6.8
505.34760	2.3
507.36322	3.7
597.37463	3.9
615.38678	6.1
633.39905	21.5
651.40564	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	655.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
57.03412	0.2
59.78815	0.1
65.03913	0.3
65.79651	0.1
67.01837	0.6
67.05486	0.2
68.99454	0.1
68.99774	0.7
69.03403	0.5
69.07083	0.1
69.20772	0.3
69.21183	1.0
70.06577	0.2
71.04938	0.1
73.02905	0.1
74.59740	0.1
79.05502	0.2
81.03411	1.1
85.02884	0.5
86.09708	0.3
89.03885	0.4
91.05470	4.5
97.02857	0.2
103.05453	0.2
107.04956	0.3
107.08523	0.2
109.02862	0.4
111.00697	0.1
117.03349	0.2
119.04926	6.7
123.04426	0.2
127.03886	0.4
129.01788	0.2
132.02034	0.4
133.02824	0.1
135.04404	2.1
136.05212	0.2
137.02333	1.0
137.05975	0.2
145.02783	0.3
147.04390	5.8
149.02235	0.2
153.00575	0.3
153.01813	6.0
157.04010	0.6
160.80220	0.1
161.02324	1.3
161.05927	0.2
163.03824	0.3
164.04675	0.3
171.02863	2.0
175.03883	11.3
176.04240	0.2
177.05421	0.4
179.03394	0.5
179.06979	0.6
183.04355	0.1
189.05397	0.2
201.05521	0.2
203.03384	0.3
207.06496	25.7
208.06880	0.4
213.05428	0.3
218.05739	0.1
219.06511	0.4
225.07596	0.2
229.04971	0.2
241.04932	1.3
242.05731	0.3
245.04361	0.3
257.04437	1.8
258.04965	0.2
259.06076	0.2
269.04312	0.4
270.05118	0.2
271.06003	0.3
285.03958	0.2
286.04730	0.5
287.05457	100.0
288.05798	2.4
297.03851	0.7
299.05521	0.6
300.06213	0.3
311.05417	0.3
317.06451	0.2
329.06503	0.8
351.10739	1.8
353.06403	0.2
369.11691	1.1
431.09381	0.2
435.10556	0.8
446.06201	0.2
449.10947	0.2
461.08603	0.3
479.09668	4.2
480.09839	0.3
655.16425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84742	3.9
53.03941	6.3
55.05506	27.5
57.03418	12.4
57.07072	9.8
62.20599	4.1
63.21367	3.9
67.05495	100.0
69.03408	22.0
69.07047	15.1
73.01391	4.5
79.05489	34.2
81.03399	44.9
81.07047	64.3
83.04964	23.3
83.08602	18.6
83.40368	5.1
85.02879	6.9
91.05449	30.7
93.07029	33.5
95.04983	9.2
95.08599	40.9
97.02860	15.5
97.06515	8.8
97.10135	11.3
98.05525	4.9
99.04450	6.0
103.09309	6.1
105.07009	19.3
105.41799	4.4
107.04939	5.4
107.08597	27.3
109.02850	10.0
109.06504	7.9
109.10142	58.8
111.04392	8.1
111.08054	5.7
117.07009	8.2
119.08589	15.1
121.10111	17.8
123.11732	4.6
125.09662	10.6
127.03918	9.6
129.05470	8.6
129.06967	10.0
131.08548	20.7
133.10112	17.4
135.08032	5.7
135.11671	13.3
139.11195	4.8
140.30290	5.1
143.08542	8.8
145.10141	13.8
147.11674	9.2
149.13280	9.2
155.08545	7.5
157.10078	5.0
159.11649	13.7
161.09610	4.9
169.10104	8.1
171.11697	5.8
173.09599	4.8
173.11720	20.3
173.13072	5.0
184.07307	10.5
189.11122	9.8
191.10437	4.5
195.13756	4.6
212.14943	4.8
220.84712	5.9
227.12622	9.2
229.14374	25.6
245.13687	6.2
261.22000	6.2
269.16058	4.4
303.99353	4.7
315.07129	4.6
335.25729	6.0
337.27377	9.0
339.99478	5.5
340.15012	4.8
351.23068	7.0
361.44427	4.7
369.24146	10.0
413.26602	6.2
489.35809	6.9
513.14709	4.8
559.36292	5.8
633.39587	15.0
651.42554	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	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13744	1.8
53.03929	7.8
55.01862	4.5
55.05507	31.5
56.96315	1.9
57.03435	10.8
57.07077	2.9
59.04957	2.0
65.03932	4.6
67.05499	100.0
69.03424	26.3
69.07058	14.6
69.99203	8.5
71.04978	7.5
73.02937	1.8
79.05486	32.8
81.03410	72.1
81.07047	63.0
83.04969	35.0
83.08604	16.0
85.02888	6.7
85.06535	4.3
85.27596	1.9
91.05474	27.3
93.06479	3.0
93.07036	38.4
95.04945	6.5
95.08600	44.2
97.02883	22.7
97.06516	5.6
97.10157	22.9
99.04451	4.8
99.08070	2.7
105.07021	17.4
107.04944	4.2
107.08586	24.1
109.02853	10.5
109.06506	4.2
109.10146	57.4
111.04433	10.1
111.08039	4.8
113.10490	1.6
117.06996	10.9
119.08568	19.5
121.06462	2.9
121.10131	17.0
123.08061	2.9
123.11693	9.5
125.09608	21.6
127.03908	13.1
127.07462	2.1
129.05466	17.8
129.06993	4.3
131.08559	15.3
133.10115	14.3
135.08023	5.8
135.11673	12.5
137.09572	4.2
137.13203	2.1
139.11110	2.9
141.07001	2.7
143.08524	8.2
143.10590	1.6
145.10101	12.3
147.08072	3.5
147.11681	10.9
149.09584	3.2
149.13258	5.4
151.11055	1.9
153.09090	2.5
155.08598	2.7
155.10597	2.7
156.30849	1.8
157.10100	5.5
159.08069	3.1
159.11678	7.9
161.09624	3.5
161.13225	6.0
163.14822	4.5
168.94115	1.6
169.10191	3.7
171.10226	3.4
171.11696	5.4
173.11708	17.5
173.13249	9.4
175.11180	3.2
175.14835	2.6
177.16521	1.9
183.11687	1.9
185.13205	5.7
187.11092	2.4
187.14799	3.2
189.11197	19.4
189.12712	2.6
195.11682	1.8
197.13365	2.0
199.14848	3.3
201.12782	2.6
209.11710	2.1
213.12791	2.1
215.14430	2.4
227.12744	22.2
229.14316	27.8
245.13809	7.5
259.20526	3.9
261.22076	8.5
263.23654	5.6
273.22177	2.0
277.21515	3.6
279.23373	1.9
289.21606	2.9
297.13562	2.4
299.14865	5.2
299.19974	1.8
301.21460	4.1
303.22946	2.0
315.23196	3.4
317.24496	2.9
319.22833	1.8
333.24258	2.7
335.25742	14.1
337.27350	21.7
351.23145	4.7
369.24249	9.9
371.17059	10.2
371.25629	2.4
373.18524	8.6
375.25085	2.5
387.25092	6.3
405.26376	4.4
443.27905	3.7
461.28821	3.9
479.29697	5.1
489.35599	7.3
507.36798	8.6
597.37616	6.8
615.38733	6.7
633.39960	22.1
651.40784	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	653.171
Annotation	Scutellarein 7,4'-dimethyl ether 6-sophoroside
Peak:m/z	Relative Intensity
50.04561	0.1
57.02156	0.1
64.24757	0.1
67.22430	0.1
69.03417	0.3
70.06574	0.5
71.52663	0.2
81.03397	0.2
85.02905	0.4
97.02886	0.2
112.91104	0.1
127.03947	0.1
139.03973	0.1
148.05106	0.2
151.03906	0.1
153.01854	0.3
167.03400	0.2
229.04909	2.0
236.25452	0.1
257.04388	4.0
272.06763	9.7
273.07211	0.4
283.06210	0.2
285.04028	0.8
299.05417	1.0
300.06247	35.6
301.06516	1.3
315.08575	100.0
316.08905	3.2
448.83679	0.1
624.33087	0.1
653.17096	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	646.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.26085	1.1
55.01864	1.5
55.05508	8.0
57.03427	14.0
57.07066	1.4
59.99490	1.0
61.02907	5.0
65.03917	1.3
67.05499	38.8
69.03404	3.0
69.07053	11.7
71.01344	2.1
71.04974	3.6
71.52512	1.7
73.02908	3.2
79.05075	2.0
79.05490	24.6
81.03400	4.7
81.06595	2.1
81.07050	35.4
83.04965	7.1
83.08588	4.2
85.02885	7.5
85.06522	3.2
90.74577	1.3
91.03933	4.3
91.05481	12.8
93.07031	37.1
95.04927	5.4
95.08606	12.5
97.02869	4.9
97.06523	10.0
97.10172	5.7
99.04367	1.3
105.07012	5.0
107.04945	2.2
107.08582	26.8
109.02906	1.5
109.06496	1.5
109.10147	5.6
111.08054	3.2
117.06986	5.6
119.04858	1.2
119.08541	4.5
121.10132	7.6
123.11631	1.4
125.09625	1.4
127.03931	2.1
131.08551	4.3
133.10107	5.1
134.10435	1.2
135.08038	1.7
135.11676	25.7
138.97945	1.2
145.10120	5.9
147.11710	1.3
149.13249	12.4
159.11642	5.9
163.11188	2.0
177.12727	2.6
181.12251	4.1
195.13794	4.5
214.99368	1.2
217.35570	1.2
255.15875	37.4
269.17435	28.8
295.30389	1.2
316.02356	1.3
321.24353	1.4
322.24539	3.6
397.13916	1.4
449.28940	100.0
450.29214	3.3
470.41962	1.4
546.83069	1.4
547.09821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74300	0.3
56.05030	0.6
57.07055	0.3
58.06593	0.7
60.08158	5.5
67.05499	0.6
68.78580	0.3
71.07368	3.4
81.07039	0.4
86.09698	30.5
91.05498	0.4
95.08600	0.3
98.20805	0.7
98.98457	3.0
104.10727	2.6
123.36351	0.3
124.99990	19.8
143.01048	0.4
144.72844	0.4
166.02742	0.3
184.07323	100.0
229.36147	0.3
257.61020	0.3
284.76648	0.3
331.44366	0.4
650.43945	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	651.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.0
55.01855	5.5
55.05505	35.3
57.03426	10.7
57.07063	7.6
57.11398	2.7
65.03934	3.3
67.05499	100.0
69.03421	30.0
69.07068	13.4
69.99862	2.6
71.01328	4.3
71.04978	8.6
71.08608	3.3
71.26514	5.6
79.05481	37.9
81.03409	52.8
81.07043	70.7
83.04969	26.3
83.08179	3.9
83.08593	21.1
85.02937	6.6
86.09715	3.3
91.05469	25.0
93.02204	3.0
93.07030	35.7
95.04948	10.9
95.08593	46.2
97.02874	19.5
97.06536	4.8
97.10148	13.1
99.04475	7.5
105.07009	22.8
105.07478	2.1
107.08587	22.9
109.02862	12.0
109.06500	5.5
109.10149	57.7
111.04415	8.9
111.08054	3.7
115.05443	2.9
117.06998	12.0
119.08566	18.1
121.06450	3.8
121.10129	19.8
123.08070	3.0
123.11681	4.6
124.99969	3.1
125.09628	10.5
127.03909	12.6
129.05441	14.1
129.06984	6.4
131.08517	16.5
133.06464	3.7
133.10110	9.5
135.08022	5.9
135.11700	7.7
137.09641	6.2
143.08498	6.2
145.10072	12.7
147.08069	2.5
147.11684	11.0
149.09615	3.9
149.13347	5.9
153.09033	3.4
157.10135	5.2
159.11679	8.6
161.13246	6.4
163.11156	3.9
171.11703	2.9
173.11713	23.8
173.13197	5.5
175.14738	3.7
183.11642	4.5
184.07306	8.0
185.13310	4.3
187.11186	2.9
187.14790	3.7
189.11198	13.9
199.14804	4.1
227.12698	14.2
229.14320	20.2
245.13853	4.0
261.22107	7.7
263.23831	3.1
299.14972	3.3
301.21576	4.5
303.23257	3.6
327.23129	5.2
335.25848	8.7
337.27322	15.0
357.24008	3.5
369.24121	8.2
371.16928	6.4
373.18372	4.9
387.25189	6.5
405.25851	3.1
415.15051	3.1
461.28693	3.3
479.30087	5.6
489.36151	4.1
507.36710	5.7
566.45227	3.1
597.37354	7.4
615.39001	6.0
633.39728	17.6
651.41376	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	641.17
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
51.14129	0.1
53.03931	0.4
55.01863	0.4
55.05508	0.2
57.03414	0.6
61.02898	0.5
65.03921	0.2
68.99809	0.2
69.03421	1.8
70.06585	0.9
71.01328	0.2
71.04977	0.9
71.52507	0.3
72.08134	0.3
73.02911	14.1
79.05502	0.2
81.03411	2.1
81.47913	0.2
83.01310	0.2
83.57706	0.1
84.04486	0.2
84.08139	0.3
85.02898	12.2
86.09692	0.2
87.04451	1.1
91.03954	0.3
91.05473	0.2
92.02615	0.7
93.03399	1.0
95.04946	0.3
97.02879	2.4
99.00803	0.2
99.04442	2.1
105.06975	0.1
109.02869	1.4
111.00790	0.3
117.05454	0.3
121.02883	0.8
126.03130	0.2
127.03905	7.0
132.64464	0.2
137.02307	0.3
137.05940	0.2
139.03923	0.9
145.04938	4.2
151.03897	0.7
153.01816	6.0
163.05891	0.2
163.07500	0.1
165.01805	0.5
166.02547	0.2
167.06999	0.1
177.05415	0.7
183.02898	0.3
193.12180	0.2
201.05450	0.6
203.03400	0.4
207.06465	0.2
217.04967	0.6
218.05727	0.4
228.04097	0.9
229.04950	2.7
231.02797	0.2
243.06526	0.2
245.04414	1.1
246.05190	1.5
256.03500	0.2
257.04401	2.0
260.03180	0.4
273.03922	1.6
274.04691	4.1
284.03110	0.4
285.03906	4.0
285.16885	0.2
286.04425	0.3
287.02011	0.3
287.05307	0.4
289.09174	0.4
301.03516	0.2
302.04184	11.8
303.04919	2.6
303.07886	0.2
317.06519	100.0
318.06885	2.2
333.06058	0.2
359.07571	0.4
425.08820	0.2
470.41055	0.2
479.11496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01873	8.6
55.05509	15.4
55.77944	1.0
57.03433	22.2
57.07054	2.5
62.12179	1.0
65.03926	4.6
67.05499	64.4
68.10831	1.2
68.65363	1.2
69.03421	2.8
69.07056	9.6
71.04966	2.5
71.42979	1.8
79.05484	42.2
81.03403	3.4
81.07050	55.7
81.07531	2.7
83.04958	4.9
83.08619	7.0
85.02899	1.9
85.06540	10.8
91.05473	31.1
93.07030	39.2
95.04958	46.8
95.08596	26.7
97.06519	6.0
97.10134	3.0
99.04392	1.8
99.08125	1.6
105.07027	22.6
107.04949	8.0
107.08582	22.6
109.06506	65.0
109.10144	11.2
111.04450	2.7
111.08073	3.0
113.05992	28.8
116.06155	1.3
117.07011	14.4
119.04975	1.4
119.08560	17.9
121.06481	6.8
121.10139	11.1
123.08042	5.3
123.11680	3.2
125.09586	1.8
128.06227	1.3
129.07005	7.6
131.08556	19.7
133.06493	3.5
133.10124	10.1
135.08041	40.0
135.11681	9.7
137.09615	1.5
141.06975	1.9
143.08553	8.8
145.10092	14.8
147.08017	7.1
147.11650	4.9
149.09599	4.7
149.13239	3.1
157.10117	6.8
159.08020	2.2
159.11690	6.5
161.09613	8.9
161.13264	1.6
163.11180	3.2
165.09042	1.5
169.10103	1.7
171.11671	4.3
173.13237	4.4
175.11189	2.8
177.12730	2.1
185.13239	2.7
187.14772	1.4
189.11276	1.5
189.12863	1.5
195.13780	2.3
199.14864	3.1
201.12779	2.2
211.14792	2.0
217.15877	11.9
219.13866	1.6
226.88455	1.2
227.17905	1.7
233.15314	2.3
237.16542	1.5
245.18947	3.6
255.17386	4.4
261.22128	1.9
273.18460	37.0
274.18878	1.3
275.20123	1.4
291.19510	100.0
292.20026	2.3
309.20517	2.7
335.25769	52.2
336.26111	1.8
347.22159	6.9
365.23337	9.4
466.27859	1.4
545.37946	1.9
568.20380	1.3
607.43512	6.0
625.44452	25.1
634.51233	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
53.83122	0.1
55.01868	0.1
55.05506	0.3
65.03940	0.2
65.62903	0.1
67.05497	0.7
67.37029	0.1
68.99795	0.2
69.03398	0.2
69.07063	0.2
69.38513	0.4
69.38946	0.4
71.04970	0.2
78.04691	0.4
79.01858	0.1
79.05483	0.9
81.03406	1.0
81.07044	0.7
83.04967	0.3
83.08607	0.2
85.02889	0.3
86.09688	0.4
91.05473	2.8
93.07037	0.6
95.04954	0.6
95.08596	0.2
97.02867	0.2
97.06512	0.3
105.07002	0.2
106.04161	0.3
107.04947	1.0
107.08556	0.1
109.02859	0.2
109.06525	0.1
109.10107	0.3
117.06954	0.2
119.04929	4.1
119.08561	0.2
121.10107	0.1
123.04433	0.9
124.05204	0.5
125.05966	0.1
127.03873	0.1
129.06975	0.1
131.08534	0.1
132.96315	0.1
133.10115	0.3
134.28954	0.1
135.11623	0.1
137.05994	0.2
141.06917	0.1
147.04391	11.4
148.04739	0.1
151.03865	0.2
152.04646	0.3
153.01823	0.6
153.06955	0.2
157.10143	0.1
157.13536	0.1
165.07002	0.3
167.07024	5.8
171.04341	0.2
175.11188	0.2
177.12767	0.1
181.06438	0.2
187.03896	0.3
193.06494	0.3
193.12257	0.3
197.06033	0.2
207.04466	0.1
211.07568	0.3
211.13257	0.2
213.05392	0.2
215.03352	0.2
221.05956	0.8
225.05386	0.6
227.07008	0.2
233.04422	1.2
237.05501	0.2
239.06960	0.6
243.15822	0.1
249.05446	0.4
250.06392	0.2
253.04930	0.7
254.05685	0.1
262.06195	0.2
265.04916	0.2
266.05841	0.2
267.06491	2.1
267.15906	0.1
269.17474	0.2
277.04929	0.6
278.05743	0.3
281.04495	0.9
285.16995	0.1
294.05392	0.6
295.05984	3.0
297.03848	1.1
298.04501	0.1
305.04181	0.2
306.05249	0.3
309.03946	0.2
310.08185	0.1
311.05478	4.8
312.05975	0.1
312.09460	0.1
322.04510	0.1
323.05457	100.0
324.05765	1.8
325.10767	0.2
326.04105	0.2
373.06909	0.3
384.06122	0.2
385.07065	0.4
401.06287	0.2
402.08014	0.1
413.06454	0.3
430.06873	0.2
445.09286	0.2
461.28656	0.2
477.11792	5.5
479.30029	0.2
587.32373	0.1
623.33685	0.2
641.31860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1709
Annotation	Rhamnetin 3-galactosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
50.51284	0.4
50.55814	0.4
53.03876	0.6
53.06761	0.4
55.01797	0.8
55.02039	0.5
57.03329	2.1
57.03635	0.7
61.02814	2.4
68.99720	0.7
69.03312	6.2
69.03719	1.0
70.06467	1.3
70.66275	0.8
70.66611	0.6
71.04874	7.4
71.05309	1.2
72.08054	0.5
73.02807	1.1
78.17464	0.4
81.03290	2.9
83.04884	0.5
84.08045	0.6
85.02776	29.6
85.03342	2.9
85.03619	1.2
87.04366	0.9
91.03812	1.4
92.02534	0.6
93.03327	0.9
95.04878	0.5
97.02756	7.5
99.04321	1.2
107.04852	0.7
109.02858	2.9
111.00709	1.0
121.02756	1.1
123.04236	0.5
127.03903	5.8
129.05469	2.7
137.02194	1.2
139.03871	2.2
139.52750	0.5
145.04951	7.1
147.04318	0.6
147.06392	0.7
151.03894	2.9
153.01808	9.2
163.03781	0.6
163.05914	1.1
165.01695	1.5
167.03221	1.4
177.05334	1.3
179.03296	0.8
189.05363	0.6
190.25536	0.4
193.04884	0.6
195.90256	0.5
201.05379	0.9
203.03275	0.9
217.04843	1.6
219.02733	1.5
228.04141	1.0
229.05023	3.1
233.04391	0.7
237.54770	0.4
242.05710	0.5
244.03575	1.1
245.04460	3.0
246.05148	1.6
257.04434	4.1
258.05099	1.5
259.05661	1.2
260.05560	0.5
261.03885	0.8
271.06021	0.6
273.03857	3.3
274.04599	3.1
277.07050	0.9
285.03860	5.0
286.04691	4.0
287.05157	3.2
288.05234	2.1
289.03177	1.0
290.04053	0.8
297.03796	0.7
301.03409	3.6
301.07019	6.9
302.04144	10.1
302.07425	6.1
303.04694	1.3
303.07605	6.0
317.06522	100.0
318.03687	6.2
318.06876	1.4
329.06485	0.7
333.06021	74.1
334.06415	1.3
347.42706	0.5
359.07281	0.7
461.09390	0.7
477.10364	0.6
479.09790	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	641.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80834	0.6
55.05490	1.2
57.03426	1.0
65.03919	1.2
65.04894	0.6
67.05489	2.8
69.07054	1.2
71.52251	0.8
76.53638	0.7
79.05473	2.5
81.03381	1.6
81.07056	3.9
83.08610	0.8
90.73270	0.7
91.05456	6.4
93.07020	3.3
95.04958	1.7
95.08606	1.0
103.05464	2.4
104.06291	0.9
105.07030	4.0
107.04939	1.7
107.08578	1.8
109.06467	0.8
109.10152	1.0
111.04358	0.7
115.05474	0.8
117.07001	1.2
118.04174	1.0
119.04922	7.4
119.08585	0.9
121.06484	1.1
121.10131	1.1
129.06952	0.8
131.04932	4.5
132.05688	4.4
133.06491	4.1
133.10185	0.9
135.04420	0.7
137.05933	1.3
137.79739	0.8
143.06062	0.7
143.08644	0.8
146.03595	1.8
147.04391	22.7
149.05946	1.0
153.01825	3.5
160.05193	1.4
161.05948	4.8
163.03864	1.0
167.07045	3.0
177.05518	2.8
178.06291	1.6
191.07013	2.2
193.08545	0.9
203.03374	10.5
213.05466	1.1
219.06543	0.7
229.04887	9.3
241.05003	1.9
242.05626	3.2
244.77498	0.8
257.04416	77.2
258.05154	5.1
275.20087	1.7
283.06027	1.3
285.03979	2.9
286.04712	8.9
287.05481	6.7
295.05975	1.5
297.03900	4.7
323.05371	1.7
419.07660	0.9
445.09238	1.7
447.07611	0.8
477.11700	7.4
509.29828	0.6
641.16449	100.0
642.16632	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	641.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
68.99817	0.3
70.06575	1.4
71.52979	0.3
72.08129	0.3
79.05488	0.6
79.50182	0.3
80.80949	0.3
81.03406	0.7
81.07022	0.4
84.08122	0.3
85.02861	0.9
85.38531	0.3
86.09698	0.5
89.03861	0.3
91.05474	0.9
95.04937	0.4
95.08595	0.3
99.04423	0.3
104.82452	0.3
107.08554	0.3
109.02824	0.5
117.03378	0.5
120.08111	0.3
121.02902	0.4
123.04376	0.8
127.03885	0.6
133.02824	0.4
133.18715	0.3
134.03622	0.3
135.04413	0.6
136.05170	3.2
137.02344	0.4
137.05972	1.4
145.02809	0.6
147.04402	0.9
149.02315	0.5
149.05923	0.4
149.11469	0.3
150.03113	0.8
150.06717	0.5
151.03874	0.4
153.01822	4.5
162.03070	0.3
163.03946	0.4
163.11357	0.3
175.03975	0.5
177.01793	0.3
177.05449	1.0
197.06042	0.3
203.03291	1.8
213.05414	0.7
225.05486	0.4
229.04948	2.7
231.10152	0.6
241.04800	1.6
242.05704	9.3
253.05066	0.7
254.05719	0.4
257.04410	24.4
258.05124	4.2
258.64282	0.3
269.04431	1.7
270.05173	3.6
271.05997	4.8
281.04297	0.4
285.03949	2.7
286.04666	10.6
287.05450	12.0
288.05899	0.3
297.03897	12.4
298.04321	0.4
305.08038	0.6
308.06693	0.5
310.04596	0.6
311.05508	0.6
315.04984	0.9
317.06607	0.6
333.07706	0.4
334.08362	0.8
344.06754	0.4
345.07584	1.6
361.07117	1.9
362.07773	0.6
372.06396	0.4
373.07031	4.3
374.07779	0.6
375.08505	0.9
377.06454	0.4
389.06546	4.2
390.07193	0.9
391.08026	1.9
401.06561	0.8
403.08041	0.8
417.06091	0.7
418.06711	3.0
419.07523	1.5
420.08334	0.7
432.99860	0.3
433.09189	0.8
435.10727	10.9
446.06299	6.2
451.10913	0.5
461.08615	11.8
479.09674	100.0
480.10086	2.8
641.15002	0.8
641.24243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02538	0.4
51.02359	0.6
53.03913	0.9
55.01836	0.8
55.05474	0.6
65.03898	0.9
67.05495	2.4
68.99759	1.1
69.03398	0.6
69.07043	1.1
70.18121	1.1
70.18513	0.8
78.04664	1.2
79.05486	3.9
81.03362	1.3
81.07043	3.0
83.04917	0.5
83.08572	0.9
89.03899	1.0
90.04642	1.1
91.05467	9.3
93.07043	2.3
95.04900	1.3
95.08591	2.2
97.06522	0.9
102.04691	2.2
103.05452	9.2
104.06242	5.2
105.03368	0.7
105.04477	0.6
105.06329	0.5
105.07017	10.3
106.04137	0.6
107.04899	1.8
107.08548	1.6
109.06499	0.5
109.10091	1.1
115.05447	3.6
117.03325	2.0
117.06976	0.7
118.04164	3.3
119.04129	0.7
119.04923	12.3
119.08511	1.6
121.02776	0.6
121.06456	2.0
121.10123	0.9
123.04410	0.7
125.09516	0.5
129.06985	0.7
130.04134	3.5
131.04912	30.6
131.08505	0.6
132.05698	29.3
133.05656	0.5
133.06487	7.5
133.10109	0.7
135.11618	0.6
137.05959	0.8
143.05949	0.6
145.06439	0.9
145.10075	0.9
146.03610	4.7
147.04390	57.1
148.05054	1.4
149.05908	2.1
149.09543	0.7
153.01805	9.1
157.10001	0.5
159.04338	1.0
159.11678	0.9
160.03957	0.6
160.05193	8.7
161.02365	0.8
161.05962	19.1
162.03061	1.5
162.06662	1.6
163.07603	1.0
166.06224	0.8
167.07080	2.6
173.05890	1.0
176.04660	2.9
177.05458	5.5
178.06224	4.4
181.08615	4.1
181.62201	0.5
186.42851	0.5
186.57155	0.4
191.06989	6.3
192.07780	5.9
193.08586	5.3
201.05357	0.6
203.03355	13.3
209.07855	0.7
213.05374	2.0
216.04140	7.8
229.04930	15.8
239.07013	0.5
241.04872	1.8
242.05702	10.9
244.03589	0.7
253.04922	1.5
257.04416	92.9
258.05188	21.3
259.05789	1.2
262.08380	2.6
269.04437	2.3
269.54733	0.5
270.05188	1.3
271.05997	1.2
272.03104	1.9
272.06497	0.9
275.20001	1.9
283.06119	0.7
285.03903	10.8
286.04691	35.6
287.05453	42.1
288.05811	0.8
295.06046	0.8
297.03915	2.9
300.06259	2.9
301.06967	0.6
311.05484	1.6
311.12878	0.7
315.04987	1.1
323.05466	6.0
327.04840	0.7
339.09760	1.2
349.23746	0.7
356.06979	0.5
356.12457	2.4
357.07593	0.6
359.09076	0.6
384.06067	1.0
385.06451	0.6
385.10638	0.9
387.08408	0.7
399.08545	1.0
402.07541	0.6
403.08472	0.6
413.06177	0.6
417.09650	1.9
419.07077	1.0
427.08289	0.6
445.09097	10.7
446.09543	0.7
462.09311	1.7
477.11755	51.8
478.12234	1.7
495.12991	3.2
534.02252	0.5
574.88483	0.6
623.42926	1.0
625.98444	0.7
641.16461	100.0
642.17120	4.4
663.72217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1342
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.03928	0.4
55.01863	0.4
55.29382	0.1
57.03423	0.6
61.02928	1.0
67.01815	0.2
68.99773	0.6
69.03424	2.8
71.01366	0.2
71.04974	0.3
71.51449	0.3
73.02910	0.3
77.38469	0.1
81.03403	1.4
83.01314	0.2
85.02899	6.8
87.04474	0.2
91.03928	0.4
93.03391	0.4
93.68417	0.1
95.04913	0.1
97.02883	2.4
99.04428	0.4
109.02872	1.0
111.00794	1.0
121.02837	1.1
123.04405	0.2
127.03912	1.5
137.01370	0.2
137.02339	3.2
137.03339	0.1
145.04959	1.1
146.65080	0.1
149.02339	0.6
153.01813	3.5
155.04845	0.2
163.03937	0.7
165.01834	2.1
166.02635	0.2
173.06004	0.4
183.02864	0.5
183.04416	0.3
187.03848	0.3
195.11443	0.2
201.05437	1.7
211.03877	0.2
213.05469	0.1
215.03197	0.2
215.16624	0.1
219.02922	0.2
219.06572	0.3
229.04955	4.0
247.05898	0.7
257.04413	2.5
274.04794	0.8
275.05264	0.2
277.57059	0.2
285.03909	1.5
287.05530	0.7
288.05875	0.4
289.05988	0.4
303.04953	100.0
304.05301	3.3
430.11075	0.1
456.32587	0.2
479.08170	17.3
480.08585	0.9
598.66486	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37935	0.2
55.05503	1.9
56.01749	0.2
56.05010	0.4
57.07064	0.8
58.06309	0.4
58.06589	6.6
60.12676	0.2
60.77934	0.2
67.05498	0.5
69.07036	0.4
70.06569	0.5
71.53078	0.3
72.08144	11.6
73.06549	1.9
79.05471	0.4
81.07037	0.7
83.04948	1.7
84.08134	0.8
85.08877	0.3
86.06099	0.3
86.09693	19.5
87.09998	0.2
90.81703	0.2
91.05453	0.4
93.06998	0.2
95.08593	0.4
98.06047	0.6
98.09672	0.2
100.11240	100.0
101.05994	2.4
101.11572	1.3
105.06989	0.5
109.10095	0.3
119.08582	0.4
128.10690	0.6
129.44151	0.2
138.17781	0.2
140.14311	3.6
143.08240	0.3
146.11734	2.3
154.12244	1.5
154.15961	0.6
172.13284	2.7
182.11694	0.4
200.12759	0.3
200.16472	1.2
210.14868	0.3
211.14375	0.5
214.14369	0.8
228.15903	6.8
235.78381	0.2
245.18591	0.3
249.19624	0.3
263.37622	0.2
285.21689	6.2
285.24814	0.3
290.50192	0.2
299.23227	8.0
300.23520	0.3
309.21750	0.2
313.21234	0.9
327.22726	14.3
328.23181	0.4
339.26270	0.2
367.25931	0.4
384.91434	0.2
395.25534	0.9
397.52661	0.2
412.31744	0.5
413.26950	0.3
427.28375	0.6
440.31177	2.5
458.32172	5.0
484.33640	1.1
510.73935	0.2
511.11154	0.2
512.33362	0.6
526.34796	0.4
540.36359	0.4
611.43689	31.6
612.44073	1.7
639.43298	8.1
640.43567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1338
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
50.74167	0.1
53.03932	0.2
55.01848	0.2
57.03403	0.2
61.02900	0.4
67.01839	0.1
68.99783	0.4
69.03419	1.0
70.06563	0.5
71.01347	0.2
71.52351	0.3
73.02873	0.3
81.03405	0.8
83.01361	0.2
84.08186	0.2
85.02894	3.7
86.09696	0.3
89.03900	0.2
90.56802	0.1
95.01314	0.7
97.02887	1.2
99.04424	0.3
103.03889	0.1
107.04899	0.2
109.02818	0.4
113.02313	0.4
117.03370	0.3
121.02836	0.3
123.00768	1.8
123.04432	0.2
125.02315	0.2
127.03867	1.0
135.04402	2.0
136.04559	0.2
137.02309	1.5
141.01801	1.6
145.04930	0.7
149.05920	0.2
151.03870	0.3
153.01811	2.8
154.73077	0.2
155.04924	0.3
159.02853	0.2
161.02267	0.2
163.03922	0.2
165.01801	0.3
169.01306	2.3
173.05937	0.3
177.05508	0.2
184.89325	0.2
187.03882	0.2
195.02805	0.2
201.05411	0.5
205.05008	0.3
213.27060	0.2
229.04987	1.3
245.04335	0.2
247.06061	0.5
257.04388	3.2
259.05945	0.5
261.03940	0.4
275.05460	1.4
285.03894	2.0
287.05438	2.1
302.03983	0.3
303.04932	100.0
304.05310	2.9
345.05960	0.2
479.08096	4.9
571.14795	0.2
641.13019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
53.43559	1.3
55.01858	7.0
55.05500	18.0
57.03433	10.0
64.53136	1.5
65.03938	2.9
67.05504	29.1
68.56769	1.4
69.03411	16.0
69.07066	8.4
69.76712	3.5
69.77122	6.3
70.03708	1.8
70.06567	3.5
71.01357	4.6
71.04971	6.8
71.58589	1.5
79.05488	29.1
81.03410	100.0
81.07050	33.8
82.03729	1.7
83.04970	21.0
83.08603	18.4
85.02899	23.4
85.06541	3.3
86.09689	2.3
91.05468	33.2
93.07031	23.2
95.04961	24.5
95.08585	12.1
97.02881	15.9
97.06532	5.3
97.10133	7.2
99.04457	4.9
103.05444	2.3
105.07024	25.9
107.04957	9.7
107.08581	13.4
109.02872	19.9
109.06514	5.8
109.10163	7.4
111.04415	12.8
111.08060	10.3
111.96163	1.5
113.05956	2.1
115.05450	3.3
117.03377	5.4
117.06998	4.2
119.04897	3.2
119.08566	25.1
121.06503	5.8
121.10141	12.8
123.04417	4.2
123.08046	3.2
123.11737	3.5
125.09634	5.0
127.03891	11.7
128.06230	2.1
129.05486	3.0
129.07013	10.1
131.04915	3.2
131.08560	13.1
133.06487	6.0
133.10104	9.7
135.04428	3.6
135.08075	3.0
135.11674	5.4
137.05913	2.0
137.09595	2.6
141.06909	1.8
142.07808	1.7
143.08513	1.9
144.25981	1.4
145.02843	14.0
145.06483	3.3
145.10138	7.5
147.04419	3.9
147.08011	2.8
147.11658	20.3
149.05959	5.2
149.09612	7.6
151.03868	2.4
151.11198	1.6
153.01852	3.8
153.12704	2.1
155.08488	1.4
157.10135	14.7
159.11679	3.2
161.05978	3.7
162.06749	8.7
163.07504	1.9
163.11205	6.6
165.09140	1.4
165.12762	5.2
171.07938	1.7
171.11751	2.5
173.04521	6.7
173.05751	1.6
173.09491	1.8
175.03918	2.3
175.11171	14.5
177.05484	19.4
178.05864	1.6
181.04999	1.5
181.12173	3.3
189.05428	4.1
189.11189	2.7
189.12749	1.6
191.10637	4.2
193.12227	43.7
199.11295	1.5
203.07028	3.3
204.07796	2.5
209.11656	2.4
211.13269	66.4
215.07077	3.0
218.12131	1.4
227.12726	8.9
231.06496	2.1
232.07292	4.2
233.15186	1.6
243.06711	2.0
249.14847	2.4
260.06772	35.3
261.07312	2.5
267.15906	18.9
271.06030	2.6
273.07516	2.2
273.14935	2.5
283.15494	3.5
285.16983	16.7
287.05472	65.2
288.05933	4.5
289.14331	1.6
291.08618	1.7
299.05496	2.1
301.06821	3.6
301.14325	4.4
315.12570	1.4
317.06363	2.2
319.15399	2.1
335.07855	2.0
337.16162	3.1
349.21451	1.9
353.08774	2.9
355.17639	7.4
367.22687	4.1
385.23468	4.3
393.18951	2.6
403.24637	2.5
411.20016	5.6
429.20972	2.6
441.25873	1.8
459.27469	14.1
477.28574	17.7
495.29468	14.2
585.30414	2.4
603.31360	3.3
621.32568	14.3
639.33612	45.0
640.33594	2.4
648.02045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01872	6.6
55.05505	19.5
57.03434	9.5
57.07073	0.9
57.39883	0.9
59.04991	1.1
60.29966	0.8
61.02905	1.2
65.03931	1.8
66.05397	0.8
67.05498	26.1
69.03422	14.5
69.07058	10.5
69.37186	7.9
71.01332	1.7
71.04979	7.7
73.02897	0.9
73.06516	0.9
79.05485	25.2
81.03409	100.0
81.07046	29.6
83.04973	22.2
83.08615	21.3
85.02898	25.3
85.06538	2.0
91.05473	34.7
93.07030	19.3
95.04956	28.3
95.08582	10.6
97.02885	15.1
97.06520	6.2
97.10149	6.4
99.04462	5.1
99.08081	1.3
103.05486	1.4
105.07021	23.1
107.04942	9.1
107.08595	11.1
109.02857	14.9
109.06496	6.1
109.10146	4.3
111.04433	13.0
111.08059	10.4
115.05477	2.6
117.07021	5.2
119.08569	20.1
121.06505	3.2
121.10136	10.0
123.04426	2.5
123.08085	3.0
123.11726	1.7
125.06010	1.3
125.09633	5.3
127.03907	10.3
128.06184	1.5
129.05458	2.2
129.06995	11.4
131.04921	1.6
131.08545	11.9
133.06479	3.2
133.10121	10.0
135.04407	1.5
135.08015	1.5
135.11691	5.0
137.05943	1.1
137.09601	1.8
141.06970	1.2
142.07782	2.4
143.08531	2.7
145.06506	2.8
145.10123	4.7
147.04393	4.8
147.08047	5.0
147.11671	18.1
149.05923	1.6
149.09601	5.5
149.13231	0.9
151.03918	1.6
151.11229	1.0
153.12762	3.0
155.08517	1.8
157.06448	1.7
157.10117	12.8
159.08112	0.9
161.05977	1.9
161.09590	1.1
163.11168	6.8
165.12781	3.0
171.11639	1.9
173.04486	1.7
173.09613	1.5
175.07678	1.1
175.11168	11.2
177.05635	1.2
177.12801	1.1
181.10063	1.1
181.12236	4.8
182.07045	0.9
189.11171	1.5
191.10710	4.1
191.56796	0.9
193.12224	40.4
199.11224	1.4
209.11684	2.2
211.13268	62.6
227.12744	5.9
229.14421	1.3
235.13416	1.6
249.14661	2.1
267.15909	18.0
273.14838	3.9
283.15439	2.4
285.16995	10.5
301.14124	4.9
309.16968	1.6
313.16528	1.3
319.15198	1.9
337.16565	2.3
355.17459	7.6
367.22382	2.0
375.18137	1.3
379.55017	1.0
385.23737	3.7
393.19156	1.4
403.24924	1.2
411.20010	7.1
429.21396	3.3
431.28128	1.1
459.27417	11.3
477.28348	11.5
493.27075	1.0
494.26025	0.9
495.29483	15.2
511.28983	1.3
553.17017	0.9
573.29718	1.0
585.30627	3.0
603.31415	2.0
612.78186	0.9
621.32776	9.4
630.36719	1.0
639.33673	40.0
640.34027	2.0
645.44281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18433	0.1
51.30172	0.1
57.03438	0.2
58.36275	0.1
61.02924	0.2
69.03417	0.7
70.70564	0.3
70.70909	0.2
71.01380	0.2
71.01819	0.1
73.02907	0.2
81.03439	0.2
85.02432	0.2
85.02899	2.1
95.01326	0.2
97.02882	0.9
103.03970	0.1
109.02834	0.2
109.90424	0.2
127.03904	0.4
131.03360	0.2
141.01790	0.7
145.05000	0.5
149.05957	0.3
151.03871	0.2
153.01826	1.0
171.02879	0.3
172.87611	0.1
175.03874	0.2
191.69728	0.2
229.04973	0.4
257.04434	0.3
258.05225	11.1
259.05762	0.4
279.05063	0.1
286.04694	32.1
287.05121	0.9
301.07034	100.0
302.07349	2.5
343.08163	0.2
376.42133	0.2
383.31769	0.2
459.09021	0.1
472.74088	0.1
477.10248	5.0
478.10175	0.2
493.64444	0.1
614.17566	0.2
634.36353	0.2
639.15686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03203	0.1
53.76076	0.1
57.03428	0.5
57.21981	0.1
61.02924	0.1
68.99770	0.1
69.03396	0.4
70.06584	0.6
71.52506	0.2
72.08128	0.1
73.02908	0.9
74.05416	0.1
81.03391	0.1
83.04928	0.1
84.04497	0.2
84.08125	0.3
85.02888	0.6
86.09673	0.2
91.05465	0.1
97.02884	0.4
109.02873	0.2
115.03881	0.3
116.74052	0.1
120.08034	0.1
121.02866	0.1
127.03872	0.3
129.10214	0.2
133.10126	0.1
141.01834	0.2
145.02826	0.2
145.04907	0.2
151.03883	0.1
153.01810	0.6
154.02531	0.2
163.03891	0.2
177.05464	0.4
178.02596	0.4
179.07072	0.1
213.05440	0.1
219.24725	0.1
241.04964	0.3
242.05710	1.8
245.11774	0.1
255.02905	0.2
258.05215	1.5
269.04434	0.4
270.05219	7.5
271.05597	0.3
273.03891	1.2
285.03912	0.2
286.01862	0.2
286.04709	1.6
287.05453	4.5
288.05997	0.2
293.68884	0.1
298.04633	0.2
299.05484	0.7
301.03418	1.8
301.07040	1.4
302.04172	2.5
303.04858	0.3
313.03384	0.4
315.04953	30.7
316.05667	3.8
317.06433	0.4
331.08081	100.0
332.08459	2.5
333.06268	0.4
507.11264	1.6
639.15619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01849	4.3
55.05507	19.5
56.10556	2.2
57.03422	6.1
59.04992	2.6
65.03925	4.6
65.99958	2.0
67.05495	100.0
69.03418	30.6
69.07063	12.4
69.07366	1.7
69.76916	3.9
69.77330	8.7
71.01339	2.2
71.04966	5.9
79.05483	28.2
81.03407	18.9
81.06596	2.7
81.07043	38.3
83.04967	7.0
83.08612	10.1
85.02878	5.9
85.06490	2.4
91.05457	30.7
93.07027	34.3
95.04959	12.8
95.08598	31.7
97.02882	3.2
97.06491	5.4
97.10143	5.2
99.04409	4.7
99.08149	1.9
105.04530	2.1
105.07025	21.8
107.04886	2.5
107.08588	20.8
109.02831	3.5
109.06499	5.2
109.10149	57.0
111.04414	5.3
111.08067	5.5
115.05457	2.6
117.06992	14.7
119.08572	20.7
121.06582	3.4
121.10113	12.1
123.08071	3.2
123.11662	2.8
125.06105	1.8
125.09605	6.5
127.03878	2.4
128.06235	3.2
129.06979	8.9
131.04926	2.2
131.08554	17.4
133.10112	12.6
133.10971	2.1
135.08047	4.6
135.11685	9.1
137.05980	2.7
137.09586	5.4
137.97226	2.2
141.06955	4.2
143.06992	1.8
143.08521	8.0
145.06432	3.3
145.10135	11.4
147.08015	5.2
147.11652	10.0
149.09578	4.4
149.13239	2.2
155.08559	4.6
157.06494	2.0
157.10123	9.4
159.08153	3.0
159.11688	12.1
161.09570	4.3
161.13222	3.8
163.11084	3.5
167.08565	3.0
169.10034	3.9
171.07957	3.2
171.11658	7.4
173.09535	3.6
173.11711	18.5
173.13232	5.8
175.11078	2.2
177.12737	2.4
181.10109	3.1
183.11671	4.4
185.09576	2.4
185.13214	3.7
189.11107	2.9
191.14244	3.0
197.13242	4.8
199.14780	4.2
205.12070	2.7
211.14789	2.5
225.12773	2.8
227.12729	2.4
229.14317	21.1
234.27415	1.9
245.13965	2.7
259.20651	4.2
277.21793	2.8
283.20499	2.9
285.22046	2.6
301.21622	8.6
303.23340	2.5
315.23257	3.7
317.24673	2.7
319.22607	3.2
327.23068	2.9
345.24118	2.4
351.22983	5.5
369.24158	13.4
387.25122	7.0
405.26447	3.0
427.70496	2.6
443.27899	5.2
448.95871	2.5
461.29135	4.1
489.35822	2.9
585.37579	3.9
597.37427	8.9
615.39099	12.0
633.39948	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53879	0.2
53.00328	0.2
53.03945	0.2
55.01857	0.2
55.05505	2.1
55.56752	0.2
57.03438	0.2
57.07070	0.7
61.02919	0.3
67.05496	1.7
69.03420	0.7
69.07060	5.8
69.07419	0.4
69.20950	1.5
69.21370	0.5
70.06583	0.5
72.08144	0.2
79.05484	0.6
81.03416	0.4
81.07049	2.1
83.08601	1.5
84.41650	0.2
85.02890	2.1
85.06564	0.3
87.00866	0.3
91.05469	2.3
93.07024	1.8
95.04980	0.2
95.08597	5.8
95.09177	0.4
97.02877	0.7
105.07024	6.9
107.08575	2.8
109.02885	0.3
109.06506	0.4
109.10151	5.9
116.07017	0.2
117.06989	0.7
119.08572	29.2
121.10144	1.8
123.08068	0.4
123.11687	0.3
127.03886	0.7
131.08553	0.9
133.10118	27.8
134.10924	0.2
135.11661	2.3
136.07570	0.2
137.09601	2.1
145.04967	0.4
145.10095	1.3
147.11673	4.6
149.13249	1.0
151.14789	0.7
159.11574	0.2
160.12477	1.3
163.46078	0.2
173.13284	0.9
175.14807	100.0
176.15161	1.4
177.16327	0.5
191.67947	0.2
193.15868	16.2
194.16249	0.2
247.11847	0.2
286.04675	0.5
287.05469	4.5
301.07043	1.1
313.71310	0.2
315.08609	0.6
329.06335	0.3
345.09674	1.2
449.29330	0.2
463.08710	1.7
639.11810	0.2
657.80969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15394	0.5
67.05482	1.2
69.07060	0.5
79.05504	0.6
81.07043	1.2
86.09671	0.5
90.87146	0.4
91.05496	0.5
93.07030	0.6
95.08566	0.7
98.98462	1.7
118.06512	1.3
125.00000	6.3
125.00876	0.6
132.08089	0.5
132.68018	0.4
144.08083	8.6
158.09625	3.8
159.10416	1.2
160.11186	0.6
172.11140	2.0
176.14328	10.9
184.07356	1.5
202.15884	88.8
203.16214	1.6
220.16940	9.5
300.13559	100.0
301.14008	1.2
618.38983	1.0
636.40106	3.7
637.26422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07075	6.0
58.06585	1.5
67.05500	1.6
69.45045	1.2
69.45379	5.8
70.06586	16.9
71.08627	1.5
83.83900	0.7
88.07619	19.0
91.05476	0.9
95.04963	0.7
102.09167	13.9
119.04890	0.8
147.04391	2.8
149.02321	37.4
169.22456	0.7
175.03827	1.0
177.05412	1.2
184.20566	1.1
193.04933	48.6
219.06470	0.8
225.05475	0.9
228.23203	46.3
237.07545	12.4
269.04526	1.4
272.25919	1.9
280.86557	0.8
297.03931	1.8
313.06976	4.0
341.06516	9.9
359.07611	7.0
381.11279	0.8
385.09097	19.1
429.11761	29.5
511.07681	0.9
612.31415	1.1
630.32635	100.0
631.33020	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	633.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.1
55.01851	4.7
55.05500	21.1
55.79431	2.1
57.03426	8.3
57.07057	1.9
59.04281	1.8
59.04984	3.6
63.72057	1.6
65.03934	3.3
65.73303	1.6
67.05495	100.0
69.03416	37.7
69.07059	15.8
69.26044	6.7
69.26475	10.0
71.04975	4.8
79.05479	30.7
81.02988	2.6
81.03408	24.5
81.06593	2.8
81.07043	46.7
83.04970	8.3
83.08605	12.0
85.02895	4.3
85.06512	2.5
91.05465	38.7
93.07026	41.7
95.04952	12.6
95.08588	32.9
97.02870	6.1
97.06524	4.1
97.10132	6.4
99.04430	3.6
105.07011	27.1
107.04907	5.4
107.08571	25.9
109.02850	5.3
109.06496	7.7
109.10145	70.3
111.04420	6.6
111.08031	4.7
115.05455	2.7
117.06988	16.4
119.08567	27.3
121.06503	3.1
121.10117	20.8
123.08057	4.2
123.11685	1.9
125.09589	6.2
127.03877	3.7
129.05482	2.7
129.06966	6.9
131.08545	17.0
133.06439	5.4
133.10081	11.3
135.08025	4.6
135.11629	9.0
137.09579	6.4
139.11215	3.1
141.06961	2.5
142.07733	2.7
143.08560	8.4
145.06401	4.3
145.10088	16.0
147.08063	2.7
147.11684	7.1
149.09538	5.0
149.13155	4.8
155.08511	4.2
155.10622	1.9
157.10075	8.8
159.08025	3.4
159.11656	9.5
161.09564	4.3
161.13260	4.7
163.11169	3.8
163.14764	2.5
169.10139	4.2
171.11719	7.9
173.11693	20.1
173.13226	7.3
175.11127	4.8
175.14804	1.7
177.12790	2.6
179.14325	2.5
183.07951	1.9
183.11612	3.5
185.09642	2.1
185.13206	5.7
187.14792	5.6
189.11177	5.3
189.12726	3.3
195.11624	2.8
197.13223	5.0
199.11272	3.3
199.14857	2.8
201.16338	2.1
203.14229	1.9
207.13757	2.1
209.13193	3.0
211.14842	2.8
213.12828	2.7
215.14265	2.5
227.12564	2.6
229.14278	18.2
242.53903	1.7
245.13838	2.8
259.20639	2.0
261.22125	3.9
273.22128	2.2
277.21646	2.6
284.61438	1.8
289.21384	1.8
299.14719	3.3
301.21454	5.7
313.21417	1.7
315.23254	2.0
319.22485	3.3
323.23520	2.7
327.22946	3.3
341.24579	3.1
351.23071	6.3
353.24673	2.5
355.17346	3.7
369.24243	14.6
387.25323	4.7
405.26208	2.6
443.27612	3.4
461.28885	6.5
489.35535	3.0
524.07416	1.8
585.37018	2.2
597.37463	5.9
615.38818	8.3
633.39972	47.9
634.40143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03934	7.4
55.01863	16.6
55.05502	35.0
57.03435	10.2
57.07060	5.0
65.03924	4.8
67.05495	91.1
69.03440	1.7
69.07055	36.4
70.24151	6.3
71.04983	5.0
71.66766	1.4
79.05481	77.6
81.03411	2.2
81.07043	100.0
82.07397	1.7
83.04984	8.0
83.08607	14.5
85.06535	4.6
88.40496	1.5
91.05465	59.6
93.07030	68.6
94.07417	1.9
95.04951	13.7
95.08595	63.7
97.06521	21.8
97.10155	10.2
99.08083	3.7
101.05935	1.7
105.07014	51.9
105.07689	3.1
107.04945	13.5
107.08577	40.1
107.92080	1.6
108.08988	1.6
109.06488	10.5
109.10143	24.9
111.08090	5.0
115.05470	2.3
117.06985	21.5
119.08559	46.2
119.09370	3.3
121.06509	3.5
121.10120	35.4
121.43623	1.4
122.10470	2.1
123.08076	7.1
123.11676	10.4
125.09617	5.0
126.69739	1.5
128.06221	3.2
129.06998	8.6
131.08566	27.0
133.06435	2.0
133.10091	29.7
133.10953	2.2
134.10408	1.6
135.08073	7.3
135.11670	19.1
137.09592	5.3
137.13161	2.5
139.11176	2.9
141.06987	2.9
143.08533	11.6
145.10110	28.3
147.08066	2.1
147.11659	26.7
149.09618	18.4
149.13223	11.7
151.11148	3.1
155.08582	6.5
157.10135	8.9
159.11679	19.8
161.09604	1.6
161.13208	9.8
163.11131	10.5
163.14821	3.1
165.09077	2.7
165.12759	4.4
169.10144	7.4
171.11626	8.1
173.13255	14.7
175.11221	2.8
175.14844	4.4
177.12759	3.5
183.11676	8.5
185.11656	1.8
185.13342	5.9
187.14854	6.1
189.12799	2.1
189.16484	2.0
191.14255	2.2
195.11720	2.2
195.70775	1.8
197.13290	4.7
199.11385	1.9
199.14835	6.7
209.13245	3.2
211.14786	2.7
213.16429	3.8
215.17912	2.3
217.15833	1.8
219.17470	2.8
223.14795	2.2
227.12689	4.2
229.19537	2.9
233.18932	1.7
239.18004	5.2
241.19653	2.9
243.21216	3.2
247.20628	7.0
257.18933	8.3
259.20517	3.7
261.22150	6.9
267.15790	2.6
275.20023	62.3
277.21646	5.5
293.21167	7.3
317.24585	1.8
333.24249	2.8
335.25739	36.3
336.26184	1.9
339.15390	1.8
349.23605	26.0
371.25854	1.6
372.37457	1.5
441.33887	2.1
515.37347	4.6
517.40601	1.9
529.38690	2.5
535.41638	6.3
553.42255	4.6
555.40515	5.0
591.43988	3.7
609.44995	44.8
627.46094	61.0
628.45447	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.5
55.01870	19.5
55.05505	42.5
57.03438	18.5
57.07058	6.5
59.04999	2.2
65.03929	4.9
67.05498	98.4
69.03412	5.1
69.07064	36.8
70.97681	2.5
70.98010	4.3
71.04977	7.3
71.08615	4.3
79.05486	68.3
81.03406	2.4
81.07048	100.0
81.07536	4.9
83.04974	10.2
83.08608	22.4
85.06535	5.8
91.04899	4.5
91.05473	64.4
93.07038	72.9
93.07635	3.5
95.04966	9.4
95.07985	3.6
95.08598	71.4
97.06517	29.4
97.10149	18.2
99.08103	7.5
105.07020	58.0
106.07361	2.4
107.04948	14.5
107.08587	57.5
109.06512	7.8
109.10149	38.7
111.08086	5.4
117.06995	30.9
119.08572	44.2
119.14438	2.0
121.06478	4.6
121.10117	34.1
123.08076	6.5
123.11701	13.4
125.09612	11.0
129.06975	16.0
131.08548	41.7
133.06505	2.8
133.10118	37.5
135.08067	5.5
135.11684	19.4
137.09605	4.9
137.13223	2.3
141.06961	6.3
142.07794	3.3
143.08540	22.5
144.09270	2.4
144.10577	2.2
144.55005	3.2
145.10101	41.6
146.10417	3.2
147.08052	3.3
147.11649	25.9
149.09615	26.5
149.13203	12.0
151.11208	5.6
154.07666	2.4
155.08530	10.7
157.10098	21.5
159.11696	26.6
161.09602	4.5
161.13226	13.7
163.11188	9.6
163.14871	3.8
165.12732	2.6
167.08553	3.6
169.10132	16.9
171.10229	3.9
171.11638	21.5
173.11865	3.6
173.13245	17.3
175.11235	3.4
175.14830	6.1
177.12712	4.4
181.10123	8.2
183.11664	16.7
185.13307	16.6
187.11165	3.1
187.14828	12.3
189.11235	6.1
191.14316	3.4
193.10110	2.5
195.11734	6.6
197.13326	10.5
199.14708	10.1
201.16389	4.6
203.14343	4.1
209.13292	3.2
211.14806	7.3
213.16185	4.4
215.18011	3.0
219.17442	9.7
223.14833	4.6
225.16393	4.2
227.12764	8.7
237.16357	3.0
239.17996	7.7
241.19499	6.0
247.20784	3.9
257.19073	9.1
259.20645	7.5
261.22256	3.8
275.20056	49.8
277.21625	4.0
293.21173	6.4
325.25366	3.1
333.24411	4.7
335.25830	36.6
337.25464	2.8
341.24777	2.4
349.23798	21.7
357.14734	2.3
367.30029	4.1
411.32571	2.5
441.33588	2.7
449.85434	2.3
506.13528	2.5
515.36774	5.6
517.40387	7.2
527.37219	3.2
529.39105	2.7
535.41528	9.5
553.42938	4.1
555.40283	15.8
591.43903	4.5
609.45062	83.3
610.45288	6.7
627.46088	84.9
628.46637	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31065	0.2
50.36757	0.2
53.03920	0.6
55.01844	0.8
55.77145	0.2
57.03434	1.1
61.02912	2.3
65.03918	0.2
67.01829	0.2
68.99771	0.6
69.03419	5.1
70.70858	0.7
71.01380	0.2
71.04984	1.2
73.02894	0.7
81.03407	2.1
83.01313	0.3
85.02892	21.5
87.04443	0.5
91.03934	1.1
97.02873	5.6
99.04421	1.2
109.02850	2.4
111.00767	0.9
121.02844	1.0
127.03893	4.5
135.04346	0.3
137.02319	3.0
145.04935	5.7
149.02330	0.4
153.01813	3.6
154.02229	0.2
159.69611	0.2
163.03842	0.6
163.05956	0.9
165.01811	1.9
166.02637	0.4
171.02872	0.4
173.05991	0.4
183.02808	0.7
201.05406	1.4
216.80412	0.2
229.04915	3.7
230.26134	0.2
240.69994	0.2
245.04462	0.3
247.05930	0.6
257.04404	2.7
273.03949	0.3
274.04630	0.8
274.42175	0.2
275.05466	0.2
285.03806	1.2
286.04724	0.4
287.05429	6.3
288.05807	4.7
289.06036	4.9
301.07010	0.7
303.04929	100.0
304.05286	2.2
315.04785	0.4
319.04401	4.6
327.05017	0.3
345.05960	1.0
447.08978	0.4
451.11581	0.5
465.09863	1.0
627.14587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01854	10.8
55.05505	30.6
57.03429	12.8
57.07063	5.2
58.80204	2.7
65.03931	5.7
67.05495	81.7
69.03397	3.3
69.07059	32.5
69.84401	11.8
71.04978	3.5
79.05482	69.8
79.99056	2.2
81.03409	5.2
81.07042	100.0
83.04958	9.1
83.08586	15.5
85.06539	4.1
91.05466	54.7
93.07032	68.8
95.04959	10.9
95.08594	62.5
97.06526	9.4
97.10124	3.9
99.08068	4.2
105.07008	51.5
107.04942	6.6
107.08569	37.4
109.06500	10.7
109.10141	26.0
111.08110	3.0
117.06983	20.1
119.08565	49.8
121.06482	4.6
121.10129	28.4
123.08054	6.8
123.11687	9.5
129.06982	6.5
130.07779	3.3
131.08548	30.5
133.10104	29.5
135.08049	3.6
135.11676	15.9
137.09587	5.0
141.06926	3.0
143.08553	7.7
145.10115	22.6
147.11661	21.6
149.09636	11.7
149.13254	8.4
151.11140	3.6
155.08459	3.0
156.80772	2.4
157.10088	6.6
157.24692	2.9
159.11667	18.3
161.13235	7.0
163.11139	4.9
163.14796	3.4
165.12744	3.7
169.10103	5.8
171.11656	7.8
173.13272	12.1
175.11320	2.7
183.11603	4.4
185.13268	4.4
187.14761	3.4
189.12733	3.3
191.14331	3.1
195.11617	2.7
199.14912	3.7
201.16364	6.1
203.14328	4.9
219.17392	43.3
238.42171	2.4
239.17900	2.9
242.54584	3.0
247.20537	4.7
254.85849	2.5
257.18997	8.7
259.20401	3.8
261.22211	2.6
267.36102	2.9
275.20010	46.3
276.20465	2.7
293.21152	4.8
335.25742	54.4
349.23654	23.1
351.24551	3.1
384.81857	3.0
513.38898	3.2
529.38544	3.6
535.41992	3.2
609.44971	36.2
627.46057	31.9
628.46344	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	625.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.4
55.05506	20.2
57.03428	6.9
57.07059	5.1
61.02907	3.1
67.05494	43.4
68.05783	3.1
69.07065	17.2
70.71454	9.5
71.04991	5.3
73.06483	3.3
79.05480	30.8
81.03409	5.0
81.07040	47.4
83.04987	4.8
83.08611	7.4
91.05476	36.3
93.07027	31.4
95.04948	5.9
95.08597	30.1
97.06528	6.1
97.10159	5.8
100.52988	2.9
105.07024	37.6
107.04939	6.8
107.08575	22.3
109.06558	6.1
109.10143	15.2
111.08109	5.2
117.06979	15.3
118.47891	2.8
119.08569	25.2
120.07861	2.8
121.06512	6.4
121.10123	12.9
123.11701	5.1
123.27278	3.0
129.06978	12.4
131.08563	24.9
133.06512	3.9
133.10095	23.2
135.04459	3.4
135.11665	11.6
141.06950	6.5
142.07780	3.7
143.08606	16.0
145.10103	26.9
147.11658	11.4
153.01846	3.8
155.08510	10.5
157.10135	13.2
159.11665	17.9
161.13176	4.5
163.11153	4.6
167.08569	4.1
169.10078	11.0
171.11676	7.1
173.13243	7.5
181.10095	4.9
183.11653	11.2
185.13232	5.5
187.14713	5.0
195.11705	4.8
197.13176	8.3
199.14810	3.7
201.12741	4.5
207.11765	3.7
209.13251	5.0
211.14690	5.7
221.13324	4.1
223.14792	6.6
231.20599	3.2
237.61351	3.2
239.17775	3.9
275.20013	6.5
277.71503	3.3
287.02313	5.1
287.05481	88.8
288.05731	6.8
353.24637	12.1
371.25684	15.3
389.26761	13.9
419.72217	3.9
428.30807	5.0
445.29440	100.0
463.08807	6.1
463.30435	29.0
489.87091	3.6
513.35663	4.7
533.40009	3.9
607.43231	12.6
625.35394	5.3
625.44580	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	625.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.7
53.03942	3.9
55.01867	6.5
55.05503	16.2
57.03430	17.9
57.07029	2.1
63.60438	0.4
65.03935	4.2
67.05497	59.0
67.05832	2.0
67.06006	1.5
68.05791	0.9
69.03424	3.0
69.07058	13.5
71.04982	3.6
72.04588	0.5
73.57993	0.5
77.03872	0.9
79.05484	49.4
80.05788	0.8
81.03410	3.4
81.07047	46.0
83.04968	6.9
83.08614	5.8
85.02840	0.5
85.06534	14.5
91.05471	36.1
92.05774	0.7
93.07034	44.1
95.04955	38.9
95.08595	29.4
97.02846	1.1
97.06038	0.5
97.06519	5.6
97.10166	3.4
99.08095	0.7
103.05416	1.7
105.04465	2.1
105.07022	24.2
107.04952	8.3
107.08581	25.3
108.08858	0.6
109.06506	53.3
109.10139	10.2
110.06808	0.8
111.04388	0.9
111.08063	3.4
113.05992	36.2
113.09609	0.7
115.05455	2.5
116.06227	1.0
117.07009	14.0
118.06437	0.6
119.04890	0.8
119.06085	0.5
119.08571	17.5
121.05784	0.5
121.06490	5.7
121.10128	13.8
123.08047	4.7
123.11699	2.7
125.06013	0.7
125.09587	2.2
128.06194	2.4
129.06987	7.5
130.07742	1.0
131.07623	1.1
131.08556	18.8
133.06485	2.4
133.10117	12.8
135.08035	34.0
135.10715	0.8
135.11670	12.4
137.05884	0.8
137.09631	2.9
141.06924	1.7
142.07718	1.2
143.08539	7.7
145.06464	1.6
145.10097	13.6
146.10390	0.5
147.08049	5.3
147.11662	6.6
149.09604	4.2
149.13242	4.8
151.11127	1.2
153.09096	0.7
155.08485	2.1
156.09312	0.8
157.10094	7.4
159.08072	3.0
159.11678	8.9
161.09607	6.7
161.13252	3.2
163.11150	3.3
163.14771	0.5
165.09079	2.1
165.12656	0.8
167.08528	1.0
169.10080	2.3
171.11627	5.4
173.09575	1.6
173.13252	4.7
175.11153	4.4
175.14771	1.1
177.12784	3.2
179.14339	1.1
181.10130	1.2
183.11633	2.5
185.09573	1.6
185.13263	3.6
187.11131	1.8
187.14771	1.5
189.12698	1.4
189.16351	1.3
191.14316	0.9
195.11647	1.7
195.13727	1.9
197.13217	1.6
199.11182	1.3
199.14819	4.3
201.12718	1.8
201.16333	0.8
205.12129	0.6
207.11606	0.6
209.13301	0.9
211.14818	0.7
213.16335	0.8
215.14224	0.9
217.15860	13.8
217.19189	0.6
219.13719	1.5
223.13097	2.3
227.17874	2.1
229.15710	0.6
231.17278	0.6
233.15312	2.2
237.16278	1.7
241.14243	0.7
245.18993	3.4
255.17424	4.3
259.20428	0.9
261.22125	2.1
263.20093	0.9
273.18460	36.5
274.18637	0.7
275.20093	1.3
279.15897	0.8
287.05518	1.1
291.19507	100.0
292.19833	3.3
309.20615	1.6
315.23196	0.5
329.21118	0.8
333.24249	1.0
335.25775	10.6
347.22156	6.8
349.23700	0.7
365.23242	1.6
407.29337	0.5
479.45352	0.5
515.39124	0.7
533.39447	0.9
553.39130	0.7
567.40607	1.3
607.43469	4.2
625.44507	42.5
626.45514	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01850	0.4
57.03431	0.6
61.02921	1.2
63.13227	0.1
65.03910	0.1
68.69365	0.1
68.99776	0.6
69.03081	0.2
69.03420	2.2
69.22881	0.3
69.23291	1.0
71.04968	0.3
73.02891	0.5
81.03406	1.1
83.01267	0.2
84.06316	0.1
85.02893	6.4
87.04438	0.2
91.03925	0.2
92.49341	0.1
93.03409	0.1
94.45203	0.1
95.04917	0.2
97.02290	0.2
97.02874	2.2
99.04425	0.4
109.02859	1.0
111.00775	0.8
119.29140	0.1
120.87614	0.1
121.02856	0.7
122.20116	0.1
127.03893	1.3
135.04405	0.1
137.02310	3.6
145.04915	1.2
149.02319	0.6
153.01799	3.5
157.06485	0.1
161.05946	0.3
161.83977	0.1
163.03897	0.7
165.01814	1.8
166.02518	0.2
170.91698	0.1
173.05974	0.4
183.02850	0.9
183.04405	0.3
186.16058	0.1
187.03874	0.2
191.03412	0.3
194.02145	0.1
195.02838	0.3
201.05444	1.6
211.03809	0.1
215.03242	0.2
219.02847	0.1
219.06490	0.2
228.04153	0.3
229.04936	4.3
230.05107	0.1
247.06030	0.8
249.74120	0.1
257.04410	2.6
274.04636	0.9
275.05374	0.3
285.03864	1.5
287.05524	0.7
288.05750	0.6
289.06046	0.5
303.04929	100.0
304.05283	2.8
315.04944	0.2
465.10211	6.5
466.10446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.11367	3.1
55.01876	3.4
55.05505	18.3
57.03428	6.7
59.04969	2.8
61.81515	2.5
67.05496	45.0
69.03423	3.7
69.07071	15.0
70.01090	7.2
70.01508	8.5
71.04996	5.4
79.05486	30.8
80.42267	3.0
81.03428	6.0
81.07049	44.7
83.05003	4.6
83.08630	7.3
85.06557	4.9
91.05480	39.0
93.07038	35.5
95.04974	6.9
95.08588	25.9
97.02954	3.9
97.06533	7.2
98.20847	4.5
105.07018	37.0
105.07606	3.7
107.04993	4.6
107.08588	21.7
109.02893	2.8
109.06579	5.0
109.10160	10.5
117.06979	14.5
119.08582	22.6
121.10166	7.9
123.11737	5.4
125.09658	4.6
128.06241	4.9
129.07002	14.8
131.08563	32.9
133.10127	14.4
135.11725	3.0
141.07034	7.1
143.08543	15.1
145.10132	20.0
147.11699	8.3
149.09637	6.3
155.08598	8.4
157.10165	8.3
159.11729	12.0
167.08565	5.8
169.10130	9.5
171.11682	8.5
173.13245	6.9
181.10114	6.9
183.11659	3.3
185.13318	5.4
197.13248	8.6
199.14810	6.5
209.13281	3.8
287.05496	45.0
287.16299	3.2
288.05844	5.5
343.26212	4.6
353.24832	10.4
371.25839	13.0
386.50363	3.3
386.93314	2.8
389.26813	12.3
397.09665	3.1
397.66052	3.3
420.59537	3.1
445.29446	100.0
450.02020	3.5
463.30679	43.7
604.94641	3.4
607.43597	8.9
625.35162	4.0
625.44812	24.9
637.83057	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	625.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87643	3.9
53.03942	5.4
53.09565	4.0
55.05494	17.8
57.03410	6.8
67.05491	39.4
69.07050	13.4
69.20073	4.4
69.87218	24.6
79.05483	28.5
79.95179	4.1
81.03410	9.0
81.07053	34.4
83.04944	6.1
83.08611	10.8
85.02896	4.9
91.05464	36.3
93.07043	28.4
95.04958	6.5
95.08583	24.4
99.41698	4.4
105.07014	28.1
106.69586	4.2
107.04964	6.9
107.08575	17.4
109.06522	9.8
109.10162	12.6
117.07010	17.8
119.08582	26.1
121.06493	5.0
121.10131	8.5
129.06982	14.8
131.08527	27.4
133.10103	16.4
135.11674	6.6
143.08542	12.9
145.10083	24.3
147.11658	9.1
155.08568	6.1
157.10092	13.6
159.11679	11.7
159.51741	4.8
169.10127	11.9
171.11694	4.9
183.11667	7.1
197.13216	4.9
199.14853	4.3
207.59084	4.5
249.90828	4.7
275.19864	5.8
287.05444	43.6
325.25269	5.3
353.24646	11.6
371.25723	18.8
389.26843	8.4
445.29410	100.0
463.30493	31.6
523.99231	5.3
625.43604	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	625.1756
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.68740	0.1
53.03936	0.3
55.01870	0.2
55.05499	0.3
57.03430	2.3
59.04991	0.1
61.02921	0.9
67.05527	0.1
67.49677	0.1
69.03145	0.1
69.03427	1.3
69.68894	0.8
70.06573	0.2
71.01340	0.1
71.04984	13.2
73.02905	0.5
75.04462	0.6
81.03406	0.7
83.01306	0.1
83.04971	0.8
85.02895	17.9
87.00455	0.1
87.04457	0.5
92.02620	0.5
93.03396	0.6
97.02879	1.5
99.04453	0.4
100.11236	0.3
103.04001	0.1
106.28336	0.1
109.02879	0.5
111.00776	0.1
111.04429	0.5
121.02892	0.8
126.03114	0.3
127.03910	0.8
128.07077	0.1
129.05469	3.6
137.02284	0.2
137.05795	0.1
139.03891	0.9
145.04959	0.8
147.06516	1.2
151.03915	1.0
153.01814	5.2
163.03957	0.2
165.01866	0.4
173.05951	0.1
177.05449	0.4
182.15408	0.3
190.02596	0.1
200.04591	0.2
201.05476	0.3
203.03244	0.2
210.14888	0.2
217.04967	0.4
218.05728	0.4
228.04120	0.9
229.04973	2.6
231.02812	0.3
241.66219	0.1
245.04388	0.7
246.05174	1.4
257.04425	2.4
258.05261	0.2
260.03156	0.2
261.07474	0.3
271.05847	0.1
273.03885	1.5
274.04681	3.7
274.07559	0.2
284.03104	0.5
285.03922	4.1
286.04611	0.3
287.05466	2.7
288.06149	0.2
301.03735	0.2
301.07068	0.7
302.04178	10.9
303.04602	0.2
317.06512	100.0
318.06918	1.5
329.06741	0.2
359.07343	0.4
361.09100	0.1
463.08685	0.1
479.11575	0.3
625.16522	0.1
625.42517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
55.01858	0.5
55.05501	0.3
56.38888	0.2
57.03436	1.5
60.28236	0.2
61.02912	0.5
69.03418	1.2
70.66089	0.3
70.66434	0.7
70.68046	0.2
71.04986	9.1
73.02905	0.7
73.14184	0.2
75.04454	0.7
81.03414	0.8
83.01343	0.5
83.04983	0.5
85.02899	13.2
87.04446	0.6
95.04972	0.5
97.02885	1.2
97.39547	0.3
99.04440	0.3
109.02873	0.7
121.02845	0.7
123.04382	0.3
125.02331	0.4
127.03872	1.1
129.05476	3.1
137.02315	2.2
145.04930	1.0
147.06496	1.0
149.02374	0.3
151.03865	1.0
153.01801	0.4
163.03877	0.8
167.03363	3.4
177.05492	0.4
179.03386	2.0
187.07484	0.3
197.04398	0.4
209.04340	0.3
215.06973	1.3
223.80417	0.2
231.10628	0.3
243.06532	2.9
261.07605	0.8
271.06049	2.2
286.04568	0.6
287.05511	4.2
288.06241	0.3
297.03970	0.3
299.05539	1.1
301.04047	0.3
301.07013	1.7
315.04871	0.6
317.06516	100.0
318.06906	2.3
319.07181	1.1
331.08029	1.0
449.08966	0.5
479.12094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.139
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
67.01854	0.3
68.99781	0.4
69.03410	0.4
73.02919	0.1
77.49948	0.1
81.03417	0.1
85.02888	1.3
89.03904	0.1
95.01326	0.2
97.02863	0.5
107.04919	0.1
109.02856	0.2
117.03365	0.2
127.03889	0.2
129.01799	0.1
135.04413	1.2
137.02287	0.4
141.01770	0.4
145.04953	0.3
153.01811	4.1
161.02303	0.4
171.02896	0.6
171.04082	0.1
179.03352	0.3
185.05803	0.1
199.03882	0.1
213.05298	0.1
219.06544	0.2
241.04936	0.5
248.75027	0.1
249.17683	0.1
259.05862	0.2
263.05798	0.1
269.04456	0.3
287.05457	100.0
288.05826	2.9
299.05692	0.1
301.07202	0.1
317.02634	0.1
329.06577	0.2
449.10812	2.1
463.08636	5.6
464.08795	0.3
625.13794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1757
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
50.48754	0.1
51.25636	0.1
57.03386	0.1
61.02889	0.1
63.17280	0.1
69.03419	0.7
70.06549	0.2
71.04944	0.2
71.53031	0.2
73.02876	0.2
76.52660	0.1
79.05449	0.1
81.03391	0.2
81.06984	0.2
84.04446	0.1
84.08099	0.1
85.02898	1.0
85.07593	0.2
86.09628	0.1
87.04428	0.2
97.02879	0.6
99.04401	0.1
106.51524	0.1
109.02853	0.2
115.03881	0.2
120.08058	0.2
121.02850	0.1
127.03835	0.2
133.04909	0.2
137.02278	0.2
139.03691	0.1
145.04803	0.2
147.04311	0.1
151.03886	1.0
153.01801	0.9
154.02536	0.2
163.03818	0.1
167.06978	0.2
171.02773	0.2
177.05484	0.2
178.02577	0.5
179.06990	0.2
181.04951	0.2
192.15842	0.1
205.04913	0.3
213.05251	0.1
241.04858	0.2
242.05708	1.7
244.09430	0.1
253.04880	0.2
258.05170	1.6
269.04498	0.2
270.05188	7.2
271.05698	0.3
273.03934	1.0
285.04034	0.1
286.04733	0.9
287.05438	6.9
288.05771	0.2
297.04175	0.1
298.04703	0.2
299.05453	0.7
299.08752	0.1
301.03366	1.8
301.06940	0.5
302.04126	2.6
303.04327	0.1
313.03427	0.8
315.04926	30.8
316.05661	3.9
317.06543	0.9
318.06863	0.6
319.07101	0.5
331.08057	100.0
332.08405	1.6
449.08795	0.2
456.45297	0.1
463.08319	0.2
493.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01865	2.4
55.05508	18.2
57.03423	7.5
57.95831	1.7
61.02922	29.5
65.03914	2.2
65.39259	1.8
67.05498	47.7
69.03423	8.9
69.07070	15.4
69.47325	9.4
69.47752	6.0
69.52943	1.7
71.04975	3.8
73.02895	9.7
79.05488	37.2
81.03417	13.1
81.07045	48.4
83.04961	4.9
83.08608	12.1
85.02897	26.3
85.06539	3.3
91.03942	19.1
91.05473	52.8
93.07029	33.8
95.04956	7.4
95.08601	28.6
97.02888	17.3
97.06527	8.4
97.10152	6.1
99.04425	2.8
99.07040	1.9
103.05468	2.6
105.07024	42.2
107.04957	9.3
107.08572	18.3
109.02879	2.7
109.06506	5.2
109.10149	9.8
111.08034	4.8
115.05451	5.3
117.06997	32.3
119.04971	2.5
119.08560	20.6
119.52622	2.0
120.88067	2.2
121.06493	5.5
121.10143	12.1
123.08080	4.6
125.09641	3.3
127.03932	5.4
128.06219	5.6
129.07004	41.4
131.08554	46.3
133.06488	7.1
133.10123	12.5
135.01498	2.0
135.08066	5.5
135.11685	5.6
139.11174	2.0
141.06978	15.6
142.07748	4.0
143.08554	34.7
145.06462	8.6
145.10104	20.9
147.08023	6.8
147.11681	6.4
149.09618	8.5
151.11214	2.3
153.06958	4.7
154.07729	4.5
155.08522	30.0
157.06499	3.2
157.10110	16.7
159.08052	5.4
159.11681	14.0
161.09628	4.7
163.11156	7.0
165.07048	2.5
166.07732	2.6
167.08601	12.1
168.09299	2.2
169.10094	18.3
171.11655	16.4
173.09587	5.1
173.13309	3.6
175.11247	2.7
177.12706	5.3
179.08543	6.1
181.10109	17.7
183.11700	12.7
185.09557	3.4
185.13263	8.5
187.11229	4.7
187.14787	2.9
193.10155	5.6
193.12192	3.7
195.11717	17.6
197.09686	3.2
197.13248	8.4
199.11076	4.9
199.14861	4.3
201.12804	3.1
205.10095	2.4
207.11679	6.0
207.13542	2.1
208.12379	2.8
209.13263	12.0
211.11259	3.0
211.13148	3.3
211.14890	5.0
213.12833	3.4
213.16338	3.4
215.14360	9.3
221.13249	14.2
223.14796	8.0
225.12764	4.3
225.16357	2.4
227.14313	4.1
229.14241	3.5
235.14864	8.9
237.16350	2.6
239.14262	6.9
243.17583	2.2
253.15845	8.5
257.15329	6.2
267.17429	3.9
271.16907	4.7
289.17914	2.3
315.20966	4.1
323.23590	10.0
333.22134	17.3
341.24805	9.6
351.23138	55.7
369.24222	36.7
387.25201	21.4
407.25778	3.9
415.28510	2.8
425.26736	9.9
443.27875	100.0
444.28146	8.0
461.28983	67.5
462.29605	4.0
623.34430	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1389
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
53.03944	0.1
57.03421	0.2
67.01858	0.5
68.99789	0.4
69.03414	0.5
69.05194	0.1
70.97334	0.3
74.67697	0.1
82.40140	0.1
85.02896	1.9
89.03913	0.1
95.01328	0.2
97.02888	0.6
99.04441	0.1
109.02876	0.1
113.02357	0.2
117.03325	0.1
127.03920	0.4
129.01813	0.2
135.04398	1.4
137.02316	0.6
141.01822	0.6
145.04958	0.4
153.01814	4.1
159.02911	0.1
160.77797	0.1
161.02315	0.5
168.30759	0.1
171.02881	0.7
179.03409	0.3
180.03746	0.1
199.03789	0.1
213.05466	0.1
214.75563	0.1
219.06490	0.2
241.04903	0.5
245.04459	0.2
258.11948	0.1
263.05344	0.1
269.04440	0.4
287.05460	100.0
288.05765	1.9
299.05847	0.1
329.06598	0.1
398.73196	0.1
463.08661	5.0
625.13910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1604
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
50.31729	0.2
53.03929	0.8
55.01849	0.5
55.05506	0.4
57.03420	0.9
61.02902	0.3
66.41130	0.2
69.03425	1.9
70.06578	0.5
70.70409	0.6
71.01370	0.3
71.04969	1.0
73.02912	16.0
78.86905	0.2
81.03078	0.2
81.03422	2.4
83.03481	0.2
84.08080	0.2
85.02898	12.3
86.09679	0.4
87.04452	1.0
91.05471	0.3
92.02599	1.0
93.03388	0.8
97.02882	3.1
99.00826	0.4
99.04439	3.0
109.02870	1.9
111.04450	0.3
121.02831	1.0
126.03138	0.4
127.03903	11.7
137.02335	0.5
139.03882	0.9
145.04947	4.4
147.04208	0.2
151.03838	0.6
153.01813	6.4
153.03014	0.4
165.01784	0.6
177.05336	0.3
189.90434	0.2
201.05472	0.5
203.03311	0.3
217.04964	0.7
218.05721	0.4
228.04216	1.1
229.04950	3.2
231.02711	0.4
234.49907	0.2
234.52428	0.3
245.04431	0.8
246.05251	1.7
247.34769	0.2
256.03711	0.3
257.04422	2.2
260.03214	0.4
261.07568	0.4
273.03870	1.7
274.04660	3.5
284.03360	0.3
285.03903	3.8
302.04190	11.9
303.04681	0.4
317.06525	100.0
318.06845	2.7
329.06589	0.3
351.05444	0.3
359.07474	0.6
449.79483	0.3
494.33844	0.4
622.38556	1.7
623.23840	0.3
623.38940	1.5
626.61603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11164	0.4
53.03934	1.4
55.01860	0.5
57.03421	0.8
68.99813	0.5
69.03411	1.2
69.37833	3.5
70.06572	0.7
71.04964	1.0
73.02912	5.9
79.01823	0.4
81.03402	2.9
84.08144	0.4
85.02899	12.2
86.09725	0.7
91.05491	0.5
97.02884	1.8
99.04449	6.8
103.03934	7.6
105.07048	0.5
109.02883	3.6
121.02856	0.7
123.04476	0.4
125.02396	0.4
127.03904	7.9
137.02364	0.6
139.03862	0.6
141.01758	0.6
145.04921	4.0
147.04411	0.6
151.03891	0.7
153.01811	3.3
163.03923	0.8
163.06036	0.6
165.01781	2.8
165.05473	1.1
167.03377	5.6
170.95885	0.4
171.02939	0.5
177.01842	1.6
177.05544	0.6
180.15399	0.4
181.43396	0.4
183.02896	1.6
184.63925	0.3
187.03833	0.6
187.06017	0.6
191.03357	1.0
192.04210	0.8
195.02867	2.9
201.05435	0.6
203.03081	0.4
213.05594	0.4
217.04988	0.8
219.02917	0.6
227.03323	0.4
229.04929	1.3
231.06476	0.7
233.04463	0.9
241.04897	0.5
243.02895	0.8
246.05359	0.9
247.08217	0.6
257.04596	0.7
257.08386	0.4
259.06104	0.8
261.03995	0.5
269.04446	1.2
270.05219	1.6
273.03934	0.9
274.04678	2.5
281.04404	0.6
285.04013	1.3
285.07651	1.2
285.32349	0.4
286.04706	1.3
287.05566	1.2
288.06177	1.6
289.06839	0.4
297.04071	0.4
298.04623	2.6
299.05527	0.6
300.06012	0.5
301.07111	1.1
302.04199	4.9
302.07837	1.9
303.04996	1.6
311.05246	0.5
312.06223	0.7
313.07135	0.9
314.04196	4.8
315.04715	1.9
316.05826	4.8
317.06531	41.3
318.07053	0.7
325.06979	0.6
326.04318	4.5
326.07791	0.7
327.05118	3.6
327.08740	0.7
328.05722	1.7
329.06522	19.9
330.07297	8.9
340.05835	1.5
341.06540	21.7
343.08157	2.2
344.05234	14.1
345.05991	0.5
351.08450	0.5
353.06558	1.4
354.07217	1.8
355.08334	1.8
356.05237	0.7
357.06161	1.2
359.07584	100.0
360.07803	2.2
362.06140	0.6
368.05289	1.1
369.05698	0.8
369.09683	1.4
371.07568	1.5
379.08093	1.6
381.06213	0.5
383.07574	13.6
389.08673	0.9
395.07370	0.4
397.09033	0.8
401.08640	0.7
407.07471	2.8
413.08539	1.1
425.08591	6.3
443.09564	4.3
461.10776	7.8
525.13818	0.8
543.15125	2.5
562.04248	0.5
569.13428	2.1
587.14001	4.4
605.15015	11.3
623.15320	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64341	1.2
71.44352	2.2
118.37384	1.1
141.00668	1.2
156.43387	1.1
156.44821	1.3
180.83942	1.1
388.16837	1.9
389.17661	3.8
390.18579	1.9
401.17850	3.3
402.18539	2.8
403.19540	6.9
404.20050	3.8
405.20941	2.5
417.16937	4.2
417.21307	3.6
418.21735	1.5
419.22412	10.6
420.22803	1.5
430.17422	2.2
431.18118	8.7
432.19513	1.5
443.18362	2.0
444.18829	1.5
445.20096	9.3
446.20883	9.2
447.21671	15.4
459.17419	1.7
459.22174	3.4
473.19119	1.4
474.20367	16.4
475.21231	21.2
487.21695	5.5
501.22943	3.6
505.26315	2.5
533.25568	15.3
534.25513	1.4
561.24890	87.8
562.25140	4.9
593.27557	2.9
598.89240	1.6
621.27002	100.0
622.27332	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	621.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.01862	8.3
55.05506	41.2
57.03417	6.7
61.02911	8.5
62.36303	1.7
62.44733	2.0
65.03927	4.0
67.05502	38.0
69.03423	25.4
69.07058	13.7
70.72769	5.7
71.04974	4.8
73.02892	2.9
79.05482	41.7
81.03407	29.8
81.07047	35.5
82.17610	1.8
83.04976	9.4
83.08608	25.9
85.02899	14.5
85.06571	3.3
91.03963	2.3
91.05466	39.3
93.07034	24.0
93.91273	1.9
95.04952	7.4
95.08589	13.3
97.02886	15.7
97.06509	2.1
97.10159	35.1
99.04440	4.1
103.05461	13.3
105.07011	24.1
107.04938	8.3
107.08575	26.5
109.02872	9.7
109.06506	4.9
109.10138	8.9
111.04446	4.9
111.08040	2.8
115.05464	11.1
117.07007	40.7
119.08572	15.3
121.06498	4.3
121.10110	4.7
121.60052	2.0
123.08047	4.0
125.09626	31.4
127.03901	7.3
128.06232	4.2
129.06990	24.5
131.04921	2.9
131.08539	28.0
133.06483	9.2
133.10139	7.5
135.08012	10.3
135.11665	2.3
141.06996	12.7
142.07756	2.7
143.08517	11.4
145.06500	14.6
145.10091	14.3
147.04433	2.0
147.08023	5.0
147.11639	2.2
149.09578	3.4
153.06976	3.1
153.09084	2.4
154.07768	2.3
155.08546	14.4
157.06483	6.4
157.10132	7.2
157.15671	1.8
159.08015	7.3
159.11722	5.7
163.11189	4.2
165.06920	2.6
166.07761	1.9
167.08563	4.9
169.10146	8.5
171.08012	3.2
171.11662	6.5
173.04427	9.4
173.09537	2.1
173.13271	2.7
179.08539	3.3
181.10139	4.9
183.08040	2.4
183.11674	3.9
185.09650	2.1
185.13217	4.8
185.22586	1.9
187.11220	4.4
187.14813	11.3
189.11203	18.6
193.10165	2.5
195.08075	1.9
195.11766	3.2
195.13808	2.9
197.09628	4.7
197.13280	15.0
199.11179	4.8
209.11586	3.7
209.13382	2.6
211.11261	2.8
213.12694	6.1
215.14287	52.4
219.11809	2.6
221.13191	2.6
223.14883	2.2
225.12672	3.4
227.12726	20.0
229.42276	2.0
231.13934	3.2
233.15388	3.7
236.51808	2.3
239.14380	3.8
241.12291	4.5
245.13675	4.5
255.17477	2.1
269.15338	5.2
271.16785	2.4
298.53836	2.2
323.16354	3.7
339.23312	5.4
349.21588	11.6
367.22751	28.0
385.23697	26.2
403.24576	6.3
422.33270	2.3
441.26364	67.6
459.27386	100.0
477.28448	7.9
514.07855	2.6
549.29132	2.8
567.29407	6.0
585.30255	4.8
603.31219	6.7
621.32587	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	621.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90207	0.4
53.03927	0.9
55.01852	2.2
55.05493	1.2
57.03431	0.5
65.03942	0.6
67.05474	2.1
68.99777	1.6
69.03378	1.3
69.07044	0.5
71.52827	0.6
79.05474	1.9
81.03405	5.0
81.07055	2.4
83.04953	0.9
83.08588	0.9
84.81348	0.4
85.02879	1.9
91.05471	2.5
93.07027	1.4
95.04967	2.6
95.08604	0.9
97.02892	1.4
99.00819	0.5
105.07005	0.9
107.04942	0.7
109.02861	1.3
109.06481	0.6
110.35663	0.5
111.04409	2.1
111.08009	0.6
115.05384	0.5
119.04997	0.5
119.08558	0.8
121.02847	0.8
121.06429	0.5
121.10102	0.5
123.04407	9.9
123.07964	0.4
123.76597	0.4
127.03902	0.7
129.06937	0.5
131.08530	0.7
133.06441	0.6
135.04370	1.6
137.02321	2.3
139.03888	38.1
141.01799	7.2
145.10002	0.6
147.04370	1.4
147.11711	0.6
149.02306	1.3
149.09537	0.8
151.03925	2.6
153.01869	0.6
153.05396	0.5
161.05968	4.2
161.37564	0.5
163.03903	0.9
163.11259	0.6
165.01819	51.5
173.25554	0.4
175.03853	2.0
179.03377	9.1
183.02873	56.5
184.03265	0.8
187.07582	0.5
189.05446	1.3
193.12233	0.7
195.02864	8.4
197.05962	0.8
201.05408	0.7
211.13213	0.8
215.07034	0.6
221.08044	1.8
225.05298	0.7
229.04987	2.9
243.06479	2.5
245.04486	1.9
247.06073	1.5
253.04749	0.8
257.04465	2.0
271.06015	8.4
273.14874	0.6
283.06290	0.7
287.05527	0.9
289.07169	1.1
296.00656	0.5
299.05481	11.7
301.14392	0.5
317.06522	100.0
318.06830	0.8
327.12280	0.7
355.11697	1.3
363.23212	0.5
373.12790	22.5
374.13098	0.5
438.01904	0.6
447.38937	0.7
459.27466	0.7
474.89548	0.5
603.31683	0.9
621.32971	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	621.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19187	0.5
55.51991	0.6
70.06569	1.2
71.52558	0.9
84.08149	0.6
84.11220	0.5
85.02865	0.6
123.04435	0.7
135.04401	0.5
139.03856	0.9
145.02849	0.8
147.04349	0.6
153.05475	1.1
163.03873	1.8
167.52985	0.5
201.15126	0.6
233.72676	0.6
364.35590	0.6
379.11383	0.6
411.14108	6.2
427.13492	1.0
459.15979	2.8
471.25894	0.6
537.55133	0.5
573.19446	0.7
621.21448	100.0
622.21838	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	621.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57841	0.6
62.21899	0.6
70.06587	2.5
71.53291	0.8
72.08139	0.8
77.39875	0.6
81.03440	0.7
82.47578	0.6
83.01102	0.7
84.04470	0.7
84.08138	1.1
85.02901	0.9
86.09673	1.7
88.75829	0.5
91.05473	0.7
95.01064	2.2
96.01876	1.3
106.04197	1.4
107.04945	1.2
110.07214	0.7
113.02168	1.7
120.08083	0.7
121.06518	1.3
127.03932	0.9
143.11574	0.7
147.04462	1.0
149.06023	1.5
163.03851	1.0
177.05484	1.4
181.08549	0.8
185.04233	2.6
199.22273	0.6
201.03676	6.0
203.05258	6.6
217.04822	2.0
232.07028	19.5
232.09157	1.2
233.07823	6.0
287.05676	0.8
298.97208	0.7
411.14041	11.3
441.15085	0.8
621.21497	100.0
622.21960	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	621.2699
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.12407	0.2
69.84860	1.2
88.59650	0.2
94.88363	0.2
98.20850	0.2
99.30424	0.2
119.61376	0.2
126.20393	0.2
147.11806	0.2
155.74182	0.2
160.93840	0.2
183.09189	0.3
196.66696	0.2
197.10822	0.3
209.10789	0.4
210.53166	0.2
219.09248	0.2
300.14774	0.3
306.45996	0.2
310.13504	0.2
312.15036	0.3
338.12857	0.3
338.16714	0.3
362.16245	0.3
374.15454	0.7
375.16077	1.0
376.17215	0.3
387.16299	0.9
388.16849	1.0
389.17603	3.5
390.18405	1.3
391.19193	0.8
401.17734	1.0
402.14111	0.5
402.19101	1.3
403.19449	5.3
404.20010	2.3
405.20709	2.8
406.21579	0.3
413.17551	0.3
415.14709	0.3
415.19260	0.9
416.16251	1.3
416.20264	0.9
417.17020	3.8
417.21082	2.5
418.17581	0.8
418.21533	0.9
419.22433	7.6
420.23132	0.6
429.16959	0.7
429.21628	0.4
430.17200	1.6
431.18015	7.2
432.18906	2.9
433.19864	2.5
441.16922	0.3
443.18588	0.6
444.19562	0.9
445.20142	6.5
446.20941	6.5
447.21768	9.7
448.22626	0.3
457.20361	0.5
458.21173	0.2
459.22864	2.6
460.18661	0.6
460.23099	0.6
461.19333	1.4
463.21417	0.6
473.19040	0.9
473.23581	1.1
474.20309	5.8
475.21179	7.1
476.21603	0.5
477.22775	0.6
478.23752	0.5
487.21240	3.7
488.22025	1.1
491.20026	1.1
501.22992	1.5
505.25751	1.3
518.23401	0.7
519.20532	0.8
529.22308	0.5
533.25476	13.2
534.25952	0.3
545.61340	0.2
546.22504	0.4
561.24915	19.1
562.25391	0.9
565.27771	0.4
589.24066	0.8
593.27399	3.8
621.26978	100.0
622.27026	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	620.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01876	1.4
55.05500	7.1
57.03180	1.0
57.03435	7.9
57.07064	1.4
58.89023	0.7
59.04988	2.7
61.02911	3.2
65.03927	1.0
67.05495	58.1
68.05824	1.3
69.03404	1.5
69.07050	5.7
69.51173	0.7
69.97395	3.5
71.04979	4.3
79.05482	13.3
81.03406	2.9
81.07046	31.3
83.04961	3.5
83.08609	9.5
85.02901	3.9
85.06538	3.6
86.09701	1.2
87.04454	0.9
90.17036	0.7
91.03927	1.3
91.05473	9.7
93.07036	22.4
93.07632	1.1
94.07379	0.9
95.04962	2.9
95.08604	9.9
97.02887	3.1
97.06501	4.1
97.10133	1.0
103.71783	0.8
105.06995	3.2
107.04927	0.9
107.08571	11.7
109.02833	1.1
109.06520	1.0
109.10143	46.6
111.08054	4.4
117.07001	3.9
119.08564	4.7
121.10110	7.6
123.11710	1.0
127.03833	1.4
131.08571	4.3
133.10115	5.3
135.08015	1.9
135.11676	4.6
137.09610	2.1
145.10066	0.9
146.02936	0.8
147.04427	1.8
147.11647	1.0
149.02327	2.2
149.13243	12.1
151.11124	0.8
155.10684	1.7
159.11670	4.2
163.11177	1.3
173.11722	12.3
177.12688	1.8
192.13541	0.7
193.05023	1.0
195.13794	4.7
227.12842	2.4
229.14317	38.1
268.93030	0.7
269.17432	36.6
270.17960	0.9
331.65659	0.8
360.34763	0.8
423.27353	100.0
424.27609	4.5
459.27798	0.9
621.15588	0.9
621.32599	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	621.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.1
66.99803	1.8
70.06573	6.6
70.92293	3.1
70.92660	5.6
71.80414	2.1
72.08139	3.2
73.02903	2.8
78.25229	1.9
78.41210	2.1
81.03410	5.3
84.04482	1.8
85.02883	6.8
86.09708	2.8
88.58875	1.7
91.05478	4.9
91.82888	1.8
94.88984	2.2
95.04921	3.1
107.04976	9.6
109.02859	4.0
111.04469	1.8
115.05434	3.4
117.07019	4.9
119.04913	7.2
120.08089	2.7
121.02850	6.6
121.06501	2.1
123.04465	3.7
124.69307	1.9
127.03928	2.1
131.04987	2.8
135.04369	3.6
139.03920	3.2
144.05705	7.4
145.06490	11.9
147.04387	35.6
149.02261	2.7
155.05978	3.3
161.02386	3.3
161.05963	4.2
163.03896	3.0
167.03416	2.2
171.04417	4.7
177.01820	7.3
177.05457	5.6
179.03325	4.3
189.01808	11.2
189.05504	2.8
190.02652	2.8
191.03368	10.9
194.02039	3.0
195.02873	14.2
201.05367	4.1
203.03447	13.2
204.04070	4.2
205.04904	2.6
207.02893	14.1
208.03680	2.8
215.03346	3.1
217.04984	6.5
219.02870	9.0
221.04491	6.3
229.04991	6.8
233.04457	4.9
243.02826	3.6
243.32065	1.9
245.04314	2.5
247.06061	4.8
255.02748	2.9
257.04480	4.0
273.03848	3.0
294.08704	3.9
302.05594	2.8
303.05048	2.3
305.08194	4.5
307.09747	5.8
309.07593	9.3
319.09723	3.1
320.06717	7.1
321.07568	71.8
322.08405	5.6
323.09073	9.4
331.09760	3.1
333.07550	47.8
333.11478	3.0
334.08112	7.4
335.09198	13.6
339.08322	4.3
343.09274	3.0
345.07568	6.6
346.08078	2.3
347.09094	27.0
347.15854	2.3
348.09836	7.2
349.10638	5.4
351.08612	100.0
359.09137	10.6
361.07144	1.9
361.10800	15.6
362.07800	2.7
363.08600	65.1
365.10193	3.4
371.09149	4.9
372.09473	2.4
373.10623	11.3
375.08585	29.1
377.10114	24.6
381.09637	18.7
387.08463	16.2
389.10178	6.9
391.11795	13.5
393.09515	5.4
399.08630	7.7
400.08783	2.6
401.10284	11.5
405.09671	57.4
411.08615	3.6
415.11655	3.3
417.09616	29.4
419.11298	4.1
429.09659	24.2
435.10666	44.6
435.16132	3.9
441.09277	2.4
443.11353	3.4
447.10767	32.0
453.11786	41.8
459.10757	3.0
465.11880	35.6
471.11526	8.8
483.12830	82.9
489.11621	6.6
501.13742	22.1
507.12827	33.0
513.11609	3.1
519.12653	6.4
525.13849	17.9
531.12500	8.2
537.14038	19.7
549.14075	26.3
555.14929	8.5
567.14825	32.2
585.15924	24.8
603.17041	11.6
621.21082	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	620.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63867	3.2
53.03942	8.0
55.01862	11.8
55.05496	11.3
57.03409	9.0
61.48780	2.9
62.48336	2.9
64.52099	2.8
65.03928	4.0
67.05500	39.3
69.03420	32.9
69.07056	7.1
71.04961	4.7
71.52539	3.7
73.02886	5.7
79.05489	28.3
81.03410	14.8
81.07043	35.6
82.06538	3.1
83.04935	4.1
83.08606	6.1
85.02898	42.4
91.05465	23.7
93.07036	30.7
94.06519	5.4
95.04964	7.0
95.08600	28.5
97.02873	14.1
97.06521	5.2
99.04426	4.9
105.07014	26.6
107.08585	21.0
108.08109	6.8
109.02863	7.4
109.10132	10.4
117.07003	10.3
119.08574	16.7
121.06530	3.1
121.10135	16.4
122.09666	4.9
123.04354	3.0
123.07990	3.4
123.11691	9.2
127.03874	28.9
127.99065	2.8
129.07002	6.2
131.08543	14.3
133.10127	13.0
135.11665	10.2
136.11221	7.3
143.08516	7.7
145.04927	11.4
145.06375	2.9
145.10133	11.1
147.11700	8.9
148.59859	3.9
149.02332	16.3
149.09644	4.9
149.13246	8.5
155.08504	3.2
157.10115	7.0
159.11652	7.4
161.13269	4.7
168.50095	3.8
171.11650	6.0
173.13191	8.6
192.08286	3.3
193.04916	5.1
243.21167	6.1
261.22177	11.8
302.24692	23.3
303.23111	5.5
313.21347	3.7
317.64893	3.2
320.25839	12.0
335.25989	3.5
369.24139	14.3
387.25293	12.7
394.29465	100.0
395.29907	4.1
405.26324	13.6
423.27487	5.9
522.34283	10.5
602.29572	15.0
620.22687	21.4
620.31470	9.5
621.14478	5.0
621.23071	5.3
630.49280	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	618.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20929	1.8
55.01875	2.5
65.03937	2.1
68.99792	5.6
70.06567	3.5
72.08157	2.2
81.03423	2.5
84.08092	2.5
88.60764	1.8
91.05488	3.0
103.56953	2.2
104.33862	1.9
107.04947	5.3
109.02912	4.0
111.00808	5.0
111.04404	6.3
118.06515	2.2
119.04942	9.5
119.98389	2.0
123.04420	71.3
127.03902	100.0
131.04971	2.7
135.04404	34.9
137.02309	3.2
139.03883	48.9
143.78963	2.1
147.04384	23.0
149.02313	3.3
150.03148	3.2
151.03931	11.4
159.04427	3.4
162.05536	7.5
163.03883	35.6
164.07050	3.4
165.05513	13.1
166.04982	3.4
167.03421	7.2
173.06047	2.2
174.05510	3.4
175.03906	5.6
176.04651	2.1
177.05447	2.8
178.04941	2.4
179.03435	5.5
181.04976	2.3
186.85519	1.9
187.03891	8.3
189.05437	2.7
191.03381	11.8
193.04930	3.4
197.06000	7.7
201.05467	8.1
202.04988	6.7
203.03384	8.1
203.07016	2.5
213.05482	4.1
215.03543	2.8
228.06543	2.9
229.04941	6.5
233.04503	2.8
241.04956	3.1
243.06464	5.2
245.04541	8.3
247.06013	19.3
255.06471	2.3
257.04523	9.8
259.06036	6.8
269.04437	6.0
271.06033	16.8
272.05881	2.7
275.05518	9.2
283.06000	9.3
286.07297	4.5
287.05426	5.0
289.07031	11.2
291.08649	8.6
299.05521	3.9
301.06943	3.4
310.07156	3.9
314.06671	3.9
322.07153	4.2
326.06543	6.2
328.08160	6.2
330.09714	4.1
338.06430	3.2
340.08035	2.6
391.08112	2.4
403.07614	2.3
406.34232	2.2
408.07843	2.6
409.09180	6.5
448.10208	16.5
466.11346	7.7
474.11880	3.4
618.12866	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.4
55.05507	35.3
57.07086	6.6
58.71965	4.7
60.08162	10.6
63.74699	4.1
67.05497	48.1
69.03416	18.5
69.07056	18.5
70.87566	7.9
70.87912	10.3
79.05482	34.6
81.07056	48.0
83.04974	17.8
83.08611	63.9
85.06519	6.8
86.09717	9.1
87.04434	5.5
91.05459	43.8
93.07029	67.8
95.04958	38.1
95.08606	37.6
97.06506	23.8
97.10146	5.5
97.11714	4.8
104.10732	64.2
105.07017	100.0
107.05015	4.9
107.08573	65.6
109.06506	16.0
109.10148	31.6
111.08064	6.6
113.09659	10.4
115.05397	7.3
117.06998	27.3
119.08572	86.4
121.06467	9.1
121.10114	53.9
123.08060	19.4
123.11657	5.9
125.09615	21.5
128.06194	18.2
129.07002	22.9
130.07722	11.6
131.08559	44.9
132.09338	4.9
133.10106	57.4
135.08031	15.6
135.11667	9.8
137.09596	7.1
139.11142	13.5
141.06955	7.8
142.07750	26.3
143.08551	49.5
144.09344	14.0
145.06494	10.0
145.10118	66.9
147.08070	14.2
147.11716	24.0
149.09601	15.3
151.07454	5.2
155.08559	26.2
155.10646	19.2
156.09309	14.3
157.10121	56.1
158.10855	6.8
159.08020	14.5
159.11641	32.3
160.08803	11.2
161.09627	12.7
163.11171	8.2
167.08566	10.7
167.10617	23.4
169.10141	29.0
170.10881	9.4
171.10297	9.4
171.11673	34.6
173.13239	24.8
175.11142	10.6
175.14786	9.1
179.08556	11.1
180.09271	5.3
181.10114	12.8
181.12169	26.5
182.10913	15.9
183.11679	35.4
184.07155	4.9
184.12503	7.7
185.09608	8.1
185.13239	24.3
187.11104	7.0
187.14769	12.0
189.12688	6.9
191.14297	6.8
193.10164	12.3
194.10909	10.6
195.11728	29.4
196.12389	14.7
197.13235	34.5
198.96719	9.2
199.14777	10.2
203.14297	8.8
205.10052	6.7
207.11667	13.2
207.13699	6.2
209.13269	22.5
209.15091	6.2
211.14839	19.1
213.12747	9.0
213.16350	8.7
215.14308	25.5
216.14639	5.3
216.97781	10.1
219.11728	7.1
221.13272	15.9
221.15363	32.5
223.14882	12.0
225.12717	8.0
225.14713	11.5
231.11703	5.9
233.15343	41.3
235.14780	14.8
237.16446	12.6
241.15889	6.0
246.13847	6.3
247.14799	9.8
249.16322	9.5
251.17900	7.6
253.15800	5.5
255.17334	34.0
259.14798	6.1
261.16269	5.8
267.17484	7.2
275.17761	6.7
281.19101	10.3
283.01840	14.6
283.20731	6.0
284.20670	5.3
307.20456	6.4
337.20349	7.3
365.24686	9.1
383.25717	20.8
414.29373	5.9
502.25620	7.1
558.28625	10.4
600.40588	9.3
618.22784	17.6
618.42456	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	616.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01862	3.4
57.59809	1.2
61.33939	1.5
65.03918	3.4
70.06571	5.4
71.52258	1.3
71.52651	2.6
72.08170	1.5
73.84257	1.1
75.04457	3.7
78.04682	3.1
79.05473	1.6
81.03384	1.4
84.04473	2.5
84.08109	1.9
85.02890	6.2
86.09687	2.6
87.46990	1.5
89.03872	2.4
91.05477	12.3
93.03416	11.4
93.07027	5.5
95.04962	6.4
97.06489	2.9
101.42944	1.4
101.94884	1.3
103.05451	5.3
105.07008	3.1
106.03478	2.2
106.04164	29.6
106.54832	1.5
107.04953	2.2
109.06514	1.5
119.04941	1.3
121.06493	29.1
123.04417	3.0
125.05966	6.2
131.04855	1.6
133.06425	1.6
134.03632	4.0
135.04373	1.8
137.05971	4.1
139.07526	3.5
145.02794	1.5
147.04445	2.3
148.05167	3.4
149.05977	41.7
151.07513	2.1
153.05447	1.5
153.09120	9.8
161.05989	3.5
163.03925	1.8
163.07489	2.8
165.05502	1.9
167.07004	3.6
170.32253	1.5
172.66267	1.3
177.05464	25.4
181.08595	19.0
191.06929	2.0
193.08580	3.1
209.08070	100.0
210.08508	2.8
351.79889	1.6
387.14450	2.8
440.89032	1.3
509.64676	1.4
535.99652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27468	12.1
56.96554	40.8
69.03429	19.1
85.02898	19.5
93.79518	14.3
94.25098	12.4
95.04955	17.4
98.97594	52.4
107.04975	17.0
112.89581	15.3
116.98621	52.1
117.37739	11.5
119.01917	18.3
119.04915	14.6
123.04427	52.4
124.27700	12.2
127.03880	72.9
128.98547	12.9
131.01901	12.9
134.99724	23.2
135.04419	30.0
139.03929	38.7
143.00121	15.7
146.99704	15.6
151.03867	15.8
158.99673	20.4
161.01285	26.7
161.02951	25.5
163.03911	51.1
166.55168	13.3
173.02925	21.6
177.00774	24.5
177.05469	18.2
181.05093	18.2
185.02910	30.5
187.36220	12.1
189.00784	22.4
201.00826	20.0
203.03990	20.4
204.97630	14.2
219.01768	21.6
237.00769	30.0
237.02914	34.1
245.04961	54.9
246.04997	20.3
255.01904	17.6
261.02893	30.2
272.59763	12.1
275.06033	14.2
279.03891	23.2
348.57941	12.8
377.00433	13.4
517.50293	14.2
531.43561	13.2
597.98987	14.2
617.10474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.2
58.06583	0.6
61.02916	3.1
68.05019	10.5
69.03412	0.6
70.06583	100.0
70.13933	0.2
70.98476	0.4
70.98813	0.2
71.06908	0.7
72.08136	0.6
73.02908	1.3
81.03436	0.2
83.72116	0.2
84.04479	0.4
84.08130	1.1
85.02897	2.9
86.06055	42.1
86.09694	20.1
87.06420	0.3
91.03944	2.3
96.04474	0.8
97.02885	1.5
98.06041	8.1
99.04427	0.2
100.07597	0.8
101.02332	0.4
101.10078	0.2
106.20854	0.2
109.02873	0.2
110.06001	0.2
112.07591	2.1
114.05523	1.8
115.03908	0.2
118.13740	0.2
120.08126	0.8
126.05496	3.8
127.03900	0.8
128.07072	3.0
128.10689	1.1
129.10199	0.6
132.06654	0.2
132.10182	0.9
138.19707	0.2
140.07060	1.5
142.04988	1.0
145.04932	0.4
153.13826	0.3
155.15407	0.6
157.09671	0.4
163.06001	0.3
166.08635	0.4
167.15469	0.6
169.09587	0.2
181.13344	0.6
183.11340	0.7
183.14905	16.3
199.14406	2.1
211.10889	1.1
211.14389	23.6
212.14732	0.4
223.10890	0.2
225.15945	0.5
227.13889	1.0
229.11864	0.2
229.15408	0.2
230.13712	0.2
232.40053	0.2
245.14934	40.9
246.15283	0.5
248.11339	0.9
253.15439	0.5
268.12946	0.2
287.15948	1.8
324.19150	0.7
326.20755	0.3
342.20200	12.2
371.18146	0.7
407.20187	19.5
408.20389	0.4
455.28571	18.6
456.29037	0.4
486.24411	0.3
497.29794	1.5
504.25436	14.3
505.25946	0.4
617.33881	6.1
618.34680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1127
Annotation	Crisamicin C
Peak:m/z	Relative Intensity
55.01860	0.6
55.05483	0.6
59.89821	0.4
63.70603	0.4
65.03922	1.8
67.01833	1.1
67.05485	1.0
68.99790	1.4
69.03388	0.5
69.60481	2.1
69.60897	0.9
79.05479	1.2
81.03405	1.2
81.07045	0.7
82.04221	0.6
85.02897	0.9
86.09686	0.6
91.05478	1.3
93.03423	0.6
95.04996	0.8
95.08618	0.5
98.20854	0.7
105.07018	0.7
107.04904	0.5
107.08591	0.7
108.02110	0.4
109.02830	0.7
110.03625	0.6
111.00792	0.4
116.52335	0.4
117.07004	0.5
119.04982	0.7
121.02890	1.2
125.05952	0.5
127.03916	0.7
137.02354	1.3
140.04655	1.4
147.04424	1.1
149.02293	1.0
151.03864	0.6
153.00568	0.9
153.01811	16.9
154.24402	0.4
155.07065	0.5
157.04967	0.8
161.05962	0.5
163.03879	1.0
167.03374	5.8
171.02892	1.5
171.06525	1.0
175.03809	0.5
179.07005	1.3
181.04941	9.4
181.06538	0.5
183.04483	0.6
187.03885	0.9
197.06073	0.5
205.05002	0.8
211.03902	1.1
213.05418	2.1
229.04956	1.0
237.05670	0.5
239.03378	2.0
240.04134	1.0
241.04993	0.8
243.02831	0.9
251.03517	0.4
253.04893	1.0
257.04465	1.6
258.05176	0.5
267.02936	2.2
279.02972	0.8
281.04483	1.5
281.18195	0.4
284.03195	4.3
285.03943	3.6
286.04788	0.5
287.05490	0.8
293.01041	0.4
293.04541	0.8
297.03897	1.6
298.04715	0.6
301.07086	0.5
305.04434	0.6
308.07025	0.5
311.01935	1.7
311.05261	0.5
315.05185	0.5
319.05920	0.5
321.03851	0.8
323.05530	1.2
325.03482	0.5
327.05032	1.4
330.07318	1.6
331.08008	1.5
335.01831	1.8
349.03452	0.7
351.04996	1.0
353.02991	1.2
363.05002	1.3
374.07596	0.6
377.02707	1.0
392.05286	2.2
393.06046	2.5
395.04285	0.6
402.07224	3.1
405.05817	1.0
419.03848	6.9
421.09229	0.6
433.05539	0.8
434.06406	0.8
437.04800	1.0
447.07285	0.7
448.07770	1.0
463.10275	6.6
489.08151	1.4
523.23138	0.7
537.08295	1.5
554.08533	1.7
571.08398	0.5
572.75885	0.5
583.08124	0.8
597.26550	0.7
599.08234	1.4
615.11267	100.0
616.11639	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15263	1.1
70.06572	1.1
71.21442	2.3
79.05475	3.7
83.47072	1.1
83.57700	1.0
86.07021	1.1
97.52035	1.1
107.04945	10.2
123.04444	2.2
124.05191	1.6
129.06970	1.7
131.08569	1.8
133.02885	1.2
137.05946	1.2
139.03909	1.6
141.07005	1.8
145.06483	1.4
154.08759	1.1
156.05721	3.9
159.08076	4.1
163.03928	2.7
167.07034	28.3
169.06494	2.5
173.05994	2.8
186.06822	1.3
187.07549	2.7
191.08569	1.8
205.08580	5.0
205.10286	1.4
208.05066	1.5
217.08525	12.6
218.07292	2.2
219.08031	6.5
219.10158	2.8
220.08775	2.4
221.06033	1.8
229.08678	2.1
231.08017	3.2
233.06039	1.3
233.09587	3.2
235.07574	1.8
235.11153	1.3
236.08336	3.3
245.09616	2.0
247.07527	7.0
247.09717	2.4
248.08281	6.7
249.09081	1.9
251.10637	3.3
254.05798	1.7
256.07425	1.6
259.07483	2.4
260.08383	1.6
261.09085	4.5
262.09909	2.2
263.07101	3.1
263.10767	7.3
264.07816	4.9
265.08588	4.9
267.06573	2.1
269.08151	4.8
271.09619	2.3
275.07059	4.1
276.07822	3.9
277.08640	2.5
279.10144	7.9
280.10736	2.1
282.08817	4.4
285.07214	1.3
290.09430	3.9
291.10056	10.1
292.07278	2.7
292.10602	1.3
293.08102	6.5
296.10452	2.1
305.08356	1.6
305.11731	1.6
307.09567	8.2
308.10391	4.2
309.07513	1.6
310.08197	2.8
311.12769	2.3
315.08545	19.8
319.09537	3.7
321.07541	2.5
322.08252	2.0
322.11987	1.5
323.09061	2.0
323.12747	5.2
330.10944	36.0
331.11572	2.9
336.09869	3.3
337.10684	4.7
338.07617	1.4
339.12146	5.2
340.12918	1.6
343.11920	5.6
350.11606	2.5
351.12207	10.5
353.10446	5.7
356.12311	2.9
368.12424	10.7
369.13422	5.6
371.14832	9.3
383.14862	100.0
384.15210	3.4
401.15918	48.2
402.16110	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	613.4814
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	2.6
55.05501	31.9
56.15740	1.6
57.03423	7.0
62.16420	1.5
65.03934	3.8
67.05499	78.1
69.07061	26.6
69.83894	7.5
71.04973	2.8
71.08630	2.1
76.72011	1.6
79.05483	45.1
81.03391	1.6
81.07045	83.2
83.04967	3.1
83.08623	16.0
85.06542	3.3
91.05473	29.8
93.07031	53.2
95.04973	4.1
95.08600	67.0
97.06516	4.7
97.10157	7.9
99.08063	3.1
105.07016	36.3
107.08583	35.7
109.10133	34.3
117.06989	13.9
119.08561	36.5
121.10126	27.6
121.10934	2.5
123.11674	11.5
129.06996	7.5
131.08560	28.1
133.10120	27.2
135.11696	17.6
137.13258	3.7
139.11195	2.2
142.07840	1.9
143.08539	10.3
145.10115	24.5
147.11671	20.8
149.13254	11.9
155.08546	4.3
157.10094	8.7
159.11665	18.1
161.13240	15.0
163.14839	5.4
169.10132	4.0
171.11693	7.7
173.13264	16.0
175.14821	7.6
177.16418	2.8
183.11734	2.2
185.13239	8.2
187.14815	7.1
189.16374	2.4
197.13194	4.4
199.14861	5.6
201.16409	4.2
203.00610	1.9
211.14844	1.9
213.16405	4.2
215.17825	2.3
217.19580	1.8
225.16406	1.8
229.19479	2.6
241.19548	4.6
243.21207	2.7
259.20563	8.3
261.22037	9.7
287.23724	2.5
301.25018	2.1
303.20041	1.9
313.25232	2.8
333.24191	6.4
335.25739	16.0
337.27267	9.1
521.43604	7.8
539.44281	3.1
543.40930	2.7
595.47107	10.7
613.48175	100.0
614.48352	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	614.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.05500	0.6
57.07076	6.2
58.06594	2.3
61.76365	0.4
64.45357	0.5
65.03921	0.8
65.08580	0.4
67.05496	0.8
69.04998	0.4
70.06588	18.6
71.08617	2.2
71.52525	0.6
73.64488	0.4
74.06091	0.6
79.05484	0.6
81.07050	0.6
83.46877	0.4
84.08102	0.5
85.02863	0.4
85.10181	0.9
88.07622	22.1
91.05474	0.5
95.80829	0.4
98.09666	0.4
102.08482	0.7
102.09171	14.9
105.07027	0.9
107.08575	0.6
109.10178	0.4
111.69966	0.4
121.02817	0.6
130.74304	0.4
147.04488	0.7
149.02328	46.8
149.03300	1.7
150.02699	0.7
151.04178	0.4
157.10013	0.4
175.03908	1.1
190.82404	0.4
193.04947	50.3
194.05313	0.9
203.50861	0.4
212.23787	0.5
219.06534	0.7
225.05396	1.0
256.26324	45.4
257.26761	2.0
269.04486	1.6
297.03931	2.9
313.07083	2.7
341.06525	10.7
342.06882	0.6
359.07584	6.6
385.09131	48.7
386.09427	2.7
596.32300	1.1
614.33167	100.0
615.33417	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01862	1.4
55.05510	14.3
57.03432	4.8
57.07061	2.6
62.65971	1.0
65.03944	2.2
67.05498	36.9
69.07063	11.1
69.92077	1.1
71.04971	1.8
79.05487	26.6
81.03419	1.1
81.06293	1.2
81.07051	29.9
81.10992	1.0
83.04935	1.1
83.08607	5.7
85.06525	1.1
91.05469	26.1
93.07036	27.1
95.04961	3.3
95.08600	24.9
97.06506	1.7
97.10159	3.1
105.04517	1.2
105.06319	1.2
105.07019	25.1
107.08574	16.3
109.06478	1.4
109.10145	9.6
117.07001	9.8
119.08574	19.7
121.10148	9.8
123.11715	3.6
125.09682	1.4
128.06204	1.5
129.06964	7.9
130.07751	1.5
131.08545	17.4
133.10101	13.8
135.11681	7.7
137.13237	1.0
141.07030	1.6
142.07802	1.2
143.08543	11.5
145.10109	14.5
147.11673	13.7
149.13242	5.0
155.08527	5.9
157.10127	8.3
159.11670	10.2
160.83939	1.1
161.13239	7.3
163.14883	2.3
167.08650	1.4
168.09340	1.2
169.10101	5.2
171.11662	9.7
173.13275	7.3
175.14856	4.6
181.10138	3.2
183.11639	4.8
185.13200	5.7
187.14851	3.4
195.11775	1.6
197.13283	4.5
199.14825	3.9
201.16391	3.2
209.13214	1.4
211.14832	1.7
213.16428	2.4
215.17863	1.4
223.14734	1.2
227.18179	1.1
229.19522	1.7
231.21077	1.6
237.16164	1.3
239.17982	2.0
241.15721	1.2
241.19597	7.0
257.19043	3.4
259.20554	14.2
261.22180	1.9
275.20178	1.1
297.22067	1.4
333.24109	10.2
333.27060	0.9
335.25732	13.2
367.30005	1.2
402.12009	1.0
441.33759	1.3
475.33716	1.1
501.41162	1.8
515.37207	1.4
519.42072	5.6
537.43195	3.7
541.38763	1.2
593.45398	6.9
611.46631	100.0
612.47302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01857	1.6
55.05504	16.4
55.12971	0.7
55.70721	0.6
57.03437	5.3
57.07051	2.8
65.03920	2.7
67.05497	44.9
69.07062	16.8
70.78176	2.5
71.04978	1.2
71.08604	1.0
77.24852	0.6
79.05482	34.1
81.07047	43.8
83.04971	1.7
83.08610	7.3
85.06533	2.4
87.01511	0.8
91.05468	28.7
93.07031	36.3
95.04967	4.0
95.07983	1.7
95.08596	35.1
97.06519	2.7
97.10139	3.0
99.08070	1.1
105.04531	0.7
105.07018	32.9
107.08574	19.8
107.15922	0.8
109.06535	1.5
109.10142	15.4
111.08042	1.7
115.05441	1.4
117.07001	13.5
119.08565	26.8
121.09326	1.3
121.10133	17.4
121.10821	0.7
123.08038	1.2
123.11674	4.4
125.09664	0.9
128.06215	2.3
129.06981	9.5
130.07716	0.9
131.08548	23.5
133.10112	19.9
135.08084	1.0
135.11671	11.9
137.13266	1.8
139.11142	1.1
141.06964	2.7
141.24738	0.7
142.07765	2.3
143.08559	12.3
144.09317	1.3
145.10095	23.2
147.08051	1.0
147.11676	15.5
149.13223	5.8
151.11179	0.8
153.27696	0.7
155.08551	6.4
156.09280	1.2
157.10101	12.6
159.11665	16.1
161.13239	12.4
163.14822	2.9
167.08559	1.7
169.10081	7.4
171.11664	12.0
173.13243	12.3
175.14795	6.3
177.12723	1.0
181.10117	3.1
183.11687	5.6
185.13214	11.5
187.14799	5.6
195.11713	2.8
197.13249	4.8
199.14825	7.4
201.16389	4.1
203.17975	1.1
209.13257	3.0
211.14877	3.5
212.32256	0.8
213.14621	1.0
213.16341	4.0
215.17978	2.1
223.14844	2.2
225.16371	2.5
227.17941	1.9
229.19554	1.4
231.20972	1.1
237.16382	1.6
239.18021	2.3
241.19647	8.1
243.21057	1.5
245.18941	1.1
257.18954	4.4
259.20560	15.5
261.22043	3.5
285.22284	1.2
297.22037	1.4
315.23260	2.0
317.24786	0.9
325.25327	1.5
327.26691	0.9
329.24634	0.9
333.24210	9.6
335.25815	14.8
337.27414	1.0
339.26849	1.2
353.28235	1.0
367.26114	1.0
367.30093	1.0
393.31967	0.9
395.33359	1.2
423.32419	0.8
489.34924	0.9
501.41235	1.8
503.37088	1.1
519.41919	6.4
527.37958	1.3
529.39581	0.9
537.43262	4.0
541.38849	2.3
542.39587	1.0
593.45557	9.2
611.46588	100.0
612.46661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.21752	0.9
53.03931	2.5
55.01872	1.5
55.05507	15.6
57.03426	5.0
57.07058	3.9
57.48740	0.8
61.68282	1.0
65.03931	3.1
67.05492	53.3
69.07063	17.9
71.04979	2.2
71.08612	1.3
72.13026	0.9
79.05013	1.2
79.05477	26.3
81.07042	52.1
81.20854	1.1
83.04967	1.1
83.08595	11.0
85.06505	1.0
91.05464	22.5
93.07034	36.9
95.04955	1.7
95.08591	44.1
97.06499	3.5
97.10156	3.9
99.08073	1.5
105.07012	23.4
107.08576	21.8
109.10130	24.4
111.08050	1.3
111.11765	1.0
115.05375	1.1
117.07014	9.1
119.08566	22.4
121.10124	18.8
123.11676	10.7
128.06213	1.2
129.07031	4.5
131.08546	18.0
133.10103	18.7
135.11659	14.9
137.13228	3.9
143.08530	6.0
145.10110	19.7
147.11664	15.1
149.13229	8.7
151.11177	1.1
151.14810	1.4
155.08519	2.5
157.10092	5.4
159.11662	14.1
159.12862	1.5
161.13245	12.0
163.14781	4.7
169.10162	2.4
171.11670	8.7
173.13219	12.6
175.14764	6.4
177.12611	1.2
183.11723	2.3
185.13225	5.4
185.82062	1.0
186.13960	1.1
187.14743	6.9
189.16350	2.9
196.80559	1.0
197.13222	1.5
199.14816	5.4
201.16374	4.6
203.18002	2.7
211.14894	1.6
213.16376	2.3
215.17993	2.8
217.19493	1.5
225.16528	1.2
227.18027	1.4
229.19513	1.1
231.20941	1.1
239.18015	1.6
241.19489	3.1
243.21080	1.6
257.19186	1.2
259.20535	8.2
261.22131	8.5
263.23761	1.2
273.22171	1.1
275.23624	1.7
277.21490	1.3
285.22156	1.4
287.23550	1.4
299.23834	1.3
301.25378	1.4
313.25171	1.2
317.24796	2.3
319.26569	1.1
323.26086	1.3
333.23929	5.4
335.25772	16.9
337.27304	9.9
347.25891	1.3
349.27588	1.5
355.30148	1.3
361.27527	1.2
387.28958	1.2
424.83636	1.1
489.35794	2.7
503.36942	2.2
515.37488	1.2
521.43451	6.0
529.38739	2.0
539.44519	4.0
543.40253	1.4
578.93713	1.1
585.45068	1.1
595.47144	11.1
613.48132	100.0
614.48889	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	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01847	0.9
55.05505	11.4
57.03420	2.2
57.07066	3.3
65.03935	1.9
67.05500	23.4
69.07063	12.2
70.78839	1.1
70.79171	1.6
71.04973	1.1
71.08609	1.8
71.43694	0.8
79.05481	15.3
81.07047	23.8
83.04980	1.5
83.08598	6.6
91.05459	13.3
93.07036	15.3
95.04962	1.8
95.08589	15.3
95.21947	0.9
97.06519	2.0
97.10183	2.3
99.08077	0.9
105.07014	13.2
107.08572	9.3
109.10135	8.9
111.08139	0.8
115.05471	0.9
117.07005	7.8
119.08569	12.1
121.10136	7.0
123.08058	1.1
123.11689	2.0
125.09594	1.9
128.06221	2.5
129.06987	8.8
131.08539	14.0
133.10114	8.1
135.08139	0.8
135.11708	3.5
137.05960	1.0
137.13266	1.2
141.06976	2.6
142.07846	1.5
143.08534	11.0
145.10103	11.6
147.11673	5.0
149.13278	2.7
151.14905	0.9
153.06932	0.9
155.08575	5.8
157.10124	8.8
159.11671	9.6
160.27162	0.8
161.13289	3.8
163.14807	1.7
165.16440	1.0
167.08524	1.6
169.10077	6.6
171.11642	8.0
173.13214	6.8
175.14734	2.0
181.10139	3.7
183.11691	5.9
185.11742	1.4
185.13158	6.0
187.14848	3.2
189.16444	1.5
191.17964	1.3
193.10075	1.0
195.11757	2.3
197.13202	5.1
199.14780	3.9
201.16341	4.2
203.17845	1.2
209.13239	1.9
211.14824	3.0
213.16426	3.2
215.17932	1.8
217.19536	0.9
221.13229	1.8
223.14771	1.9
225.16370	3.1
227.18007	2.3
229.19554	2.3
235.14885	1.1
236.83672	0.9
237.16273	1.8
239.17998	2.4
241.19559	2.7
243.21092	1.4
249.16479	1.0
255.21181	1.4
265.19611	1.3
267.21106	1.0
275.20108	2.3
277.21707	1.1
279.20901	1.0
325.25256	1.4
339.26892	1.2
353.28369	1.6
367.30035	1.4
428.77753	0.8
449.34015	1.0
458.13156	1.1
501.41049	1.7
519.41846	7.8
537.42920	5.6
541.38605	1.4
557.43488	1.0
575.44727	1.6
593.45752	8.2
611.46625	100.0
612.46692	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01878	1.4
55.05506	16.9
57.03429	5.6
57.07054	3.9
65.03919	2.3
67.05499	42.2
69.03423	1.1
69.07060	16.5
69.39066	1.5
69.39464	6.8
71.04980	1.7
79.05486	32.8
81.07048	45.4
83.04984	1.4
83.08607	9.0
85.06527	1.9
91.04903	1.4
91.05474	29.4
93.07037	36.3
94.95503	0.9
95.04959	3.7
95.08601	37.1
97.06523	3.6
97.10155	3.8
98.20770	1.8
99.08091	1.6
103.05422	1.5
105.07025	27.3
107.08582	22.1
109.06500	2.0
109.10147	15.5
111.08100	1.6
115.05461	2.2
117.07001	13.6
119.08573	27.5
121.10128	19.3
123.08025	1.6
123.11707	5.6
125.09600	1.2
128.06209	2.1
129.07007	8.4
130.07793	1.2
131.08559	21.6
133.10124	21.5
135.11670	13.7
137.09547	1.4
137.13188	2.7
141.06958	2.9
142.07771	2.5
143.08536	13.8
145.10104	22.1
147.11681	21.1
149.09546	1.3
149.13242	7.5
155.08507	4.5
157.10106	12.9
159.11678	15.7
161.13246	12.3
163.14845	3.2
167.08565	2.3
169.10098	6.5
171.11693	12.9
172.74635	0.9
173.13249	14.8
175.14824	5.0
177.16360	1.0
181.10162	1.5
183.11691	6.2
185.13252	12.3
187.14784	7.0
189.16394	1.7
195.11664	2.7
197.13287	4.8
199.14828	6.4
201.16393	4.2
203.17943	1.6
209.13258	2.2
211.14795	4.4
213.16415	4.5
215.17982	2.3
223.14833	1.3
225.16431	1.9
227.18074	1.5
229.19456	1.6
231.21111	1.5
237.16360	2.2
239.17958	2.6
241.19562	7.8
243.21156	1.8
251.17935	1.0
252.31894	0.9
253.19527	1.3
257.19009	4.3
259.20566	17.2
259.23096	1.6
261.22202	3.6
271.20612	1.3
273.22250	1.1
277.21902	1.0
297.22128	1.0
311.23862	1.2
315.22958	1.6
325.25113	1.1
333.24313	10.5
335.25806	18.4
337.27585	1.8
339.26700	1.5
351.26108	1.1
353.28464	1.4
369.28079	1.4
393.31326	1.1
435.32556	1.3
449.33963	1.2
503.37155	1.3
519.42047	6.5
530.97168	1.1
537.43060	3.6
541.38641	1.0
593.45508	7.1
611.46655	100.0
612.46924	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
69.03392	0.6
70.06612	2.2
79.01819	1.0
81.03365	0.9
85.02860	2.0
98.21424	0.7
109.76559	0.6
114.28418	0.5
127.03838	0.7
135.04318	1.7
137.02322	8.5
143.91418	0.6
149.02304	0.6
153.01744	1.5
161.02315	1.4
163.03839	0.8
165.01799	1.1
171.02866	0.7
183.02852	1.3
189.05550	0.9
191.03319	0.6
217.04977	3.4
229.04912	2.1
233.04486	0.6
235.05975	0.7
241.05190	0.7
243.02751	1.3
243.06279	0.8
259.06000	3.0
261.03940	2.3
271.05917	2.3
272.06836	3.7
287.05478	24.8
299.05475	47.0
300.06235	22.2
301.06937	1.8
303.05222	1.0
311.05438	10.2
313.07013	9.0
321.07693	0.8
323.05490	0.8
324.06281	2.1
325.06973	4.1
327.04984	1.9
329.06512	63.2
330.06836	1.9
332.05438	0.6
338.07724	0.7
339.04956	1.7
339.08554	14.9
341.06512	3.6
343.07907	1.0
353.06512	17.6
359.07520	5.9
365.06619	1.0
367.08145	4.9
371.07474	1.5
383.07611	9.2
395.07535	7.4
413.08621	19.0
414.08942	0.8
431.03680	0.9
431.09698	25.5
449.10751	100.0
450.11163	3.5
491.11713	1.6
593.14758	1.6
611.15973	30.5
612.16406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03430	1.0
59.15030	0.2
60.19098	0.2
60.84905	0.2
67.01848	0.4
68.99767	0.5
69.03391	0.8
70.06555	0.3
71.04974	6.4
73.02869	0.3
75.04427	0.2
81.03380	0.4
81.67096	0.2
83.04977	0.3
85.02895	7.6
87.04441	0.3
91.03926	0.2
97.02842	0.6
109.02845	0.3
111.00771	0.4
111.04407	0.3
121.02871	0.3
123.04386	0.3
127.03898	0.8
129.05463	2.2
135.04413	1.4
137.02332	1.4
145.04913	0.4
147.06462	0.6
148.54628	0.2
153.01797	4.4
159.66687	0.2
161.02301	0.3
165.01761	0.8
166.02647	0.3
171.02844	0.3
173.05968	0.3
179.03407	0.3
180.08768	0.3
183.02809	0.4
184.48230	0.2
201.05437	0.7
213.05415	0.2
219.06595	0.2
221.58859	0.2
229.04997	1.6
241.04767	0.3
247.05966	0.4
257.04440	1.1
259.05856	0.2
269.04382	0.4
274.04596	0.5
285.03891	0.5
287.05453	100.0
288.05780	1.8
291.06955	0.2
299.05432	0.5
299.12103	0.2
303.04941	46.1
304.05258	1.2
305.05429	0.7
329.06503	0.5
353.06412	0.2
449.10736	37.5
450.11102	0.6
465.10300	0.4
611.16248	1.2
611.24908	0.2
635.66235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Cyanin
Peak:m/z	Relative Intensity
67.01844	0.2
67.60694	0.1
68.99769	0.3
70.30096	0.3
80.70147	0.1
85.02890	0.1
99.90308	0.1
107.04921	0.1
135.04404	0.9
137.02295	0.3
153.01814	2.7
161.02287	0.4
163.79041	0.1
171.02827	0.3
179.03297	0.2
183.22656	0.1
199.03879	0.1
204.60571	0.1
227.72493	0.1
241.04898	0.3
269.04446	0.3
287.05469	100.0
288.05798	3.3
299.05560	0.2
329.06381	0.2
341.06607	0.1
413.09033	0.1
431.09656	0.1
449.10767	15.4
450.10989	0.8
611.16101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
54.19171	0.1
55.01863	0.4
55.05474	0.2
55.35188	0.1
57.03201	0.2
57.03425	1.7
59.56491	0.1
61.02905	0.5
68.99781	0.4
69.03410	1.2
70.06579	0.1
70.22948	0.6
71.01326	0.2
71.04983	10.8
73.02885	0.4
75.04452	0.5
81.03394	0.7
83.04963	0.6
85.02894	15.2
87.04459	0.4
93.03382	0.3
93.90399	0.1
94.67815	0.1
95.04955	0.2
97.02870	1.4
98.21471	0.2
99.04428	0.3
109.02848	0.6
111.00772	0.7
111.04404	0.5
118.75707	0.2
119.04919	0.2
121.02842	0.8
123.04409	0.5
127.03913	1.2
129.05464	4.0
135.04384	0.3
137.02318	2.5
139.03874	0.4
145.04935	0.8
147.04446	0.3
147.06514	1.1
149.02394	0.2
151.03879	0.2
153.01801	3.1
158.18134	0.1
161.05952	0.4
163.03879	0.7
165.01808	1.5
165.05397	0.3
165.60530	0.2
166.02620	0.2
167.03329	0.2
183.02940	0.8
191.03300	0.3
201.05498	1.2
205.04904	0.2
213.83482	0.2
215.03328	0.2
215.63560	0.2
219.06532	0.2
229.04915	3.3
247.05945	0.7
252.04233	0.1
257.04407	2.5
274.04703	0.5
275.05438	0.3
285.03836	1.1
286.03998	0.2
287.02209	0.4
287.05450	7.2
299.05652	0.3
303.04941	100.0
304.05316	1.9
315.04855	0.3
327.04935	0.2
329.06528	0.3
345.05960	0.7
369.05945	0.4
431.09299	0.2
449.10782	1.4
465.10425	0.8
611.16187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
50.42040	0.2
53.03919	0.3
55.05492	0.3
57.02130	0.2
57.03439	2.6
61.02916	0.6
63.98956	0.2
65.03950	0.3
68.99783	0.5
69.03420	1.5
70.42786	0.7
71.04990	13.0
73.02909	0.5
75.04475	0.5
81.03396	0.6
83.04958	0.6
85.02898	17.5
87.04462	0.5
97.02877	1.0
99.04467	0.3
109.02872	0.8
111.00793	1.0
111.04419	0.6
121.02874	1.2
123.04442	0.3
127.03928	0.6
129.05466	3.7
137.02322	3.1
145.04921	0.5
147.06467	0.9
149.02351	0.5
153.01825	3.8
161.05894	0.4
163.03900	0.4
165.01825	2.2
173.05879	0.4
183.02811	0.7
183.04276	0.3
187.03876	0.4
201.05470	1.8
229.04944	4.6
247.05937	0.8
252.40015	0.3
257.04413	2.6
274.04688	0.7
285.03934	1.6
303.04956	100.0
304.05289	2.3
315.04684	0.3
343.68079	0.3
374.41443	0.3
420.81790	0.3
465.10275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01851	0.3
55.05499	0.3
57.03160	0.2
57.03429	2.6
58.16253	0.2
59.04989	0.3
60.04499	0.2
62.71714	0.2
65.03933	0.2
67.01889	0.2
68.99780	0.5
69.03410	0.7
70.06589	0.3
70.12569	0.8
70.79493	0.2
71.01360	0.2
71.04984	17.7
73.02879	0.5
75.04482	0.9
79.11035	0.2
81.03398	0.4
83.04967	0.4
85.02895	21.3
86.03217	0.2
87.04434	0.4
93.03379	0.3
95.04948	0.3
97.02872	0.4
99.04433	0.3
107.04898	0.4
109.02855	0.7
109.38790	0.2
111.00752	0.8
111.04416	0.6
119.04884	0.3
121.02843	1.0
123.04417	1.2
127.03912	1.6
129.05470	5.2
135.04408	0.5
137.01262	0.2
137.02315	4.1
139.03888	1.8
147.04401	0.4
147.06476	0.9
149.02324	0.6
151.03854	0.6
153.01804	3.2
161.05980	0.2
163.03938	1.0
165.01823	2.0
166.02608	0.2
168.30652	0.2
173.05859	0.3
175.03842	0.3
179.03400	0.7
181.04909	0.8
181.06380	0.2
183.02892	0.5
183.04388	0.3
191.03409	0.2
193.04974	0.2
195.02896	0.3
201.05414	1.7
203.03314	0.5
207.02885	0.3
213.05527	0.3
215.03357	0.2
217.04976	0.4
219.06401	0.2
229.04921	3.5
231.02632	0.2
245.04427	0.2
247.06009	0.8
250.32117	0.2
257.04440	2.5
259.05927	0.3
263.05283	0.2
271.06104	0.4
274.04642	0.7
275.05560	0.7
285.03922	1.0
287.05490	8.6
299.05426	1.5
300.06253	0.6
302.04254	0.2
303.04947	100.0
304.05264	2.8
313.07040	0.3
315.04971	1.2
317.06534	0.3
327.04922	0.3
329.06567	1.8
339.08685	0.4
341.06619	0.3
345.06079	1.9
353.06451	0.4
367.08191	0.2
367.40430	0.2
369.06061	0.4
383.07559	0.3
395.07547	0.4
413.08356	0.6
425.08722	0.3
431.09747	0.8
447.08871	0.4
449.10751	3.6
465.10245	14.5
466.10422	0.6
608.01953	0.2
611.16077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1386
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
51.02363	1.4
51.89715	1.1
55.01870	1.4
65.03922	1.7
68.99788	8.0
70.06583	2.6
71.21331	1.8
71.21652	1.5
74.12048	1.3
79.48884	1.2
81.03410	4.7
84.04525	1.6
85.02885	4.5
91.05466	3.0
93.03378	1.5
95.04947	3.2
97.02895	2.3
105.03349	2.2
107.04921	3.1
109.02885	2.1
111.00808	3.2
111.04414	4.3
113.02383	1.6
115.05439	1.7
119.04922	5.5
121.02870	2.2
123.04412	77.6
124.05209	1.5
125.02326	2.8
127.03899	33.3
131.04927	2.9
135.04390	24.9
137.02324	8.3
139.03894	39.1
141.01787	1.7
143.03343	4.7
143.04874	1.3
147.04405	20.2
149.02322	5.3
149.05975	1.2
150.03108	1.4
150.61073	1.2
151.03885	9.5
151.32341	1.1
153.01810	6.3
155.03336	2.1
155.04915	1.7
159.02969	2.2
159.04361	2.5
161.02318	3.4
161.05995	3.3
162.03149	3.5
163.03871	28.3
164.04607	1.9
165.01776	2.9
165.05481	8.0
166.02612	1.8
167.03398	4.4
173.05965	3.6
175.03865	4.4
176.04707	1.8
177.01857	3.2
177.05443	3.5
178.02539	2.2
179.03426	8.5
183.04497	1.9
185.05977	2.0
187.03897	5.4
189.01799	2.0
189.05434	3.6
191.03365	9.0
193.04926	2.9
195.02815	2.6
197.05994	3.3
199.03903	1.6
199.75156	1.4
201.05499	6.2
203.03372	10.2
203.07097	1.7
205.04922	3.4
207.02922	2.2
212.53462	1.4
213.05486	3.5
215.03412	2.6
216.04092	1.5
217.04942	3.6
219.02957	2.3
221.04332	2.2
223.02374	8.9
225.05501	1.6
227.07172	1.6
229.04956	11.5
231.02870	7.4
231.06468	4.1
233.04468	5.0
241.04953	4.6
242.05508	1.3
243.02805	2.7
243.06544	3.1
244.75375	1.4
245.04474	14.6
247.05951	19.5
249.03931	1.7
253.04893	1.9
255.02892	2.3
257.04419	15.5
258.05112	3.5
259.05975	8.4
260.06891	1.3
261.03915	5.5
261.07803	1.8
269.04425	5.6
270.05249	3.1
271.06006	20.1
272.06805	2.8
273.03891	9.8
273.07480	1.6
274.04636	2.3
275.05521	6.6
275.08160	1.4
281.04279	1.3
283.06094	4.4
285.03970	5.8
286.04633	4.3
287.05450	100.0
288.06174	6.8
289.03409	5.5
289.06979	7.9
290.04300	3.8
291.05307	1.7
291.08563	5.9
299.05453	17.5
300.06146	9.4
301.03369	5.8
301.06818	3.1
303.05106	6.2
304.05875	2.8
310.04581	2.6
311.05411	9.1
313.07001	5.0
315.04849	2.1
317.06479	2.7
321.07416	1.4
323.05417	4.2
325.06927	3.0
329.06516	22.1
337.07120	2.2
338.39621	1.3
339.08435	2.0
341.06485	5.2
353.06403	7.0
361.35471	1.3
365.06360	2.5
367.08121	4.8
371.07550	1.5
377.06363	1.8
390.07602	1.4
391.08148	7.2
395.07422	6.7
398.56799	1.5
407.07632	6.6
408.08383	3.3
409.09082	5.6
412.07727	2.6
413.08472	6.3
419.07562	4.3
423.06891	2.8
424.07480	2.0
425.08597	4.2
427.10132	4.4
431.09641	6.2
437.08203	1.6
441.07761	2.4
443.09521	3.5
449.10681	29.4
455.10370	1.5
459.09290	1.7
473.10568	4.1
491.11545	2.2
527.11719	1.9
611.15924	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96273	0.9
53.03944	2.9
55.01853	3.3
55.05506	18.0
56.43464	1.0
57.03427	4.2
57.07054	1.6
65.03926	1.7
67.05499	29.5
69.07058	15.9
70.23656	3.1
71.04979	2.2
79.05483	21.3
81.07043	31.8
81.07530	1.6
83.04973	1.8
83.08613	9.4
85.06529	1.2
90.95087	1.0
91.05457	18.9
93.07030	27.6
95.04966	4.0
95.08597	25.2
97.06544	3.6
97.10143	4.9
98.21479	1.2
103.05478	1.3
105.07018	21.7
107.04904	1.0
107.08594	17.1
109.06524	1.4
109.10143	10.1
111.08092	1.7
115.05446	2.1
117.07003	11.3
119.08566	16.2
121.10123	9.0
123.08103	1.9
123.11671	2.2
125.09636	2.9
128.06219	2.9
129.06989	9.8
131.08559	16.5
133.10107	14.0
135.11685	5.3
137.09677	1.4
141.06927	5.6
142.07774	3.0
143.08546	15.2
144.09290	1.2
145.10118	19.8
145.11177	1.8
147.11661	8.6
149.09628	2.0
149.13252	2.9
153.07011	2.0
154.07759	1.9
155.08545	14.2
156.09296	1.7
157.10132	15.4
159.11661	13.4
161.09685	1.2
161.13258	4.6
163.11227	2.0
165.07048	1.7
166.07742	1.6
167.08597	5.4
168.09390	1.5
169.10121	16.4
171.11674	13.5
171.13010	1.5
173.13252	7.1
175.14828	3.3
179.08530	2.3
179.14304	1.1
181.10089	9.7
183.11665	17.5
185.13246	11.2
187.14798	5.5
189.16328	1.6
193.10164	3.3
195.11684	9.5
197.13248	12.5
199.14819	7.7
201.16388	1.9
205.10136	1.3
207.11624	2.4
208.12430	2.1
209.13240	10.3
211.14803	9.3
213.16426	4.5
219.11644	1.8
219.17558	1.1
221.13377	3.4
223.14757	5.6
224.15382	1.1
225.16385	8.7
227.18034	4.0
229.19504	1.4
233.13206	1.1
235.14850	2.9
235.20494	1.2
237.16458	4.7
239.17987	5.6
241.19600	2.3
249.16391	1.5
250.61360	1.0
251.18027	3.0
253.19472	2.1
257.19006	4.4
261.22003	1.7
263.17999	1.5
265.19592	2.4
267.21271	1.9
270.03729	1.0
275.20120	3.7
277.19580	1.3
321.21957	1.2
323.23618	1.1
335.26050	1.9
337.25168	1.9
341.24762	1.1
349.25391	1.5
351.26889	1.7
363.26874	1.3
379.29910	1.5
428.38055	1.2
447.32373	1.4
461.33841	1.6
487.34848	1.4
517.40363	14.2
535.41510	6.5
539.37061	2.5
555.41779	1.2
573.43115	1.8
591.44086	14.1
609.45068	100.0
610.46057	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.12854	1.5
63.59909	1.5
65.03925	2.3
68.99780	8.5
70.05745	1.5
70.98538	2.4
70.98873	1.7
71.69954	1.5
79.05473	1.6
91.05453	2.6
93.03411	1.7
95.04923	2.8
97.02897	2.6
99.04396	1.5
105.03352	3.6
107.04902	3.6
109.02855	2.1
111.00766	6.3
111.04433	8.3
115.05453	2.0
119.04922	8.2
121.02867	4.0
123.04413	100.0
125.02312	2.1
127.03899	46.8
129.07016	1.6
131.04875	3.9
135.04398	34.1
137.02301	7.3
139.03885	63.5
141.01767	2.7
143.03329	4.3
147.04375	20.9
148.08943	1.6
149.02321	6.8
150.03091	3.4
151.03871	17.7
152.04652	2.5
153.01857	2.5
155.03331	3.3
157.83307	1.4
159.04396	3.4
161.05923	3.0
162.03180	3.7
163.03880	36.6
165.01907	2.1
165.05455	10.1
166.02594	2.2
167.03459	7.6
169.06462	2.6
171.04364	1.8
173.05936	5.0
175.03883	6.2
176.04669	1.7
177.01836	3.6
177.05405	4.8
178.02559	2.1
179.03398	12.4
181.04927	3.9
183.04399	2.9
187.03860	9.0
189.05460	3.6
191.03386	8.7
191.25734	1.6
193.04956	5.7
195.02808	2.0
197.05981	2.9
201.05453	6.8
203.03389	13.2
203.06966	1.9
205.04895	3.6
213.05461	4.0
215.03317	4.8
215.06912	2.6
217.04840	4.9
219.02870	3.4
219.36638	1.7
223.02327	8.6
225.05505	1.8
229.04851	10.5
231.02870	7.8
231.06467	5.7
232.03574	1.9
233.04417	6.1
235.02303	1.9
237.05618	1.7
241.04884	4.9
243.02875	2.4
243.06558	5.5
245.04372	17.5
247.02251	2.3
247.05977	30.1
249.04019	2.3
253.04822	3.1
255.06587	1.8
257.04395	17.5
258.05215	4.5
259.05981	11.5
260.06696	3.6
261.03906	7.5
263.05441	3.8
269.04538	2.1
270.05115	2.8
271.05994	33.7
273.03879	12.4
273.93408	1.7
274.04358	2.0
275.05356	11.4
281.04425	1.9
282.05185	2.2
283.05942	4.6
285.03918	6.2
286.04730	1.7
287.05441	33.3
288.06113	8.5
289.03680	3.3
289.07037	10.8
291.04947	4.3
291.08615	4.8
299.05472	9.6
301.03329	2.4
301.07071	4.0
302.04318	1.8
303.04971	8.3
304.05750	2.1
305.06656	3.1
311.05377	4.6
315.04990	3.1
317.06363	3.9
329.06516	5.2
355.07996	1.7
377.62796	1.7
379.08441	2.0
391.07941	7.8
395.07465	2.4
401.06528	1.7
407.07446	6.9
408.08231	5.4
409.09207	9.3
419.07611	4.6
420.08353	2.7
423.06961	5.1
425.08575	8.6
427.10138	5.1
441.08060	5.4
449.10544	5.1
459.09946	1.5
542.11584	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.83002	1.1
55.01859	3.5
55.05508	17.8
57.03432	3.6
57.07070	2.7
67.05497	33.0
69.03416	1.3
69.07057	12.8
71.04987	3.0
71.53010	1.2
79.05487	21.8
81.07047	31.8
83.08613	7.4
91.05466	25.2
93.07027	24.0
95.04961	4.4
95.08598	26.7
97.06509	2.6
97.10169	4.7
99.69018	1.2
103.05453	1.4
105.07023	19.1
107.05003	1.8
107.08578	15.8
109.10143	10.2
111.08073	3.1
115.05431	2.7
117.07026	14.5
119.08571	17.4
121.10136	10.7
123.08051	1.7
123.11706	3.8
125.09644	1.5
128.06207	3.0
129.06989	11.5
131.08556	17.8
133.10120	13.3
135.11696	5.2
141.06992	5.4
142.07784	3.2
143.08542	17.5
145.10114	20.5
147.11664	9.1
149.09624	1.3
149.13271	3.7
153.07071	1.7
154.07913	1.4
155.08528	14.0
157.10121	17.4
159.11699	10.8
161.13216	7.3
163.14859	1.6
167.08556	5.0
168.09421	2.1
169.10097	16.8
171.11674	15.8
173.13161	8.3
179.08549	2.1
181.10092	10.7
183.11679	15.5
185.13203	10.1
187.14886	4.3
190.49593	1.3
193.10158	3.2
195.11705	7.4
196.12469	2.7
197.13252	12.5
199.14764	7.6
201.16570	2.1
203.18005	1.4
205.10036	1.5
207.11722	2.3
209.13213	6.7
211.14801	8.7
213.16411	4.5
217.19629	1.6
221.13202	2.8
223.14830	5.9
225.16414	4.6
227.18016	1.8
233.13115	1.8
235.14774	3.0
237.16452	5.9
239.18004	4.6
241.19466	2.2
246.14265	1.6
249.16457	2.7
251.18031	2.5
253.19661	2.6
257.19052	5.8
259.20471	1.5
261.22284	1.5
263.18021	1.7
265.19455	1.9
275.20135	3.2
279.20901	1.6
295.24442	2.1
309.21973	1.5
323.23547	1.6
335.25726	4.1
351.27097	1.5
379.26141	1.6
435.32114	2.0
447.32565	1.9
499.39685	2.1
517.40387	14.0
535.41431	7.5
539.37054	2.2
555.41174	1.5
573.43268	2.7
591.43866	16.2
609.45074	100.0
610.45618	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85432	0.6
55.01851	1.1
63.22143	0.7
65.03924	1.1
67.01869	0.7
68.99788	7.8
71.04980	0.7
71.21196	1.4
81.03413	3.6
97.02974	0.8
105.03362	0.9
107.04918	1.9
109.02905	3.6
109.03528	0.6
110.03505	0.6
111.00797	7.5
111.04430	2.0
119.04939	1.2
121.02863	2.1
123.04419	13.0
127.03905	96.0
131.04922	1.0
133.02823	1.8
135.04405	3.7
139.03893	100.0
147.04398	5.7
148.79208	0.7
149.02339	1.7
149.05937	1.3
151.03885	30.2
153.01935	0.7
155.03409	1.1
155.04878	0.8
157.06538	1.0
159.04324	1.4
161.06009	0.7
163.03891	11.4
163.79391	0.7
165.05501	2.0
167.03404	4.6
169.04977	1.6
169.06392	0.8
171.04424	1.4
173.06009	2.0
175.03911	13.4
177.05389	4.2
179.03374	34.9
181.04947	4.7
185.05865	1.8
187.03972	1.1
189.05479	3.0
191.03365	9.2
193.04967	3.5
195.06421	1.1
197.05931	0.7
199.03917	2.7
201.05476	4.3
203.03383	17.3
205.04964	2.4
211.03847	1.1
213.05443	4.6
213.51814	0.7
217.04962	4.1
219.06551	1.2
229.04980	5.4
231.02750	0.8
231.06625	1.5
233.04407	4.8
241.05051	2.5
243.06610	0.8
245.04456	10.8
247.05989	2.4
251.05568	2.5
253.04939	1.6
257.04434	13.7
258.05362	0.9
259.06036	3.8
263.05475	16.5
269.04443	3.0
271.05878	3.6
275.05466	17.3
281.04456	1.4
285.03912	0.8
287.05478	39.5
288.05859	1.1
289.07043	3.9
299.05432	17.5
303.04932	0.7
305.06500	7.3
307.04663	1.2
307.08093	10.1
317.06573	14.8
319.07788	0.7
356.06464	0.7
407.07736	1.1
409.08939	0.8
425.08640	18.9
443.09686	9.3
467.09534	1.5
469.14752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07679	1.0
53.03931	2.8
53.07115	1.1
55.01855	3.7
55.05504	18.6
56.28010	1.1
57.03423	5.5
57.07058	2.1
65.03928	2.1
67.05493	35.5
69.07054	16.4
69.84069	6.9
71.04969	1.4
79.05018	1.3
79.05484	33.1
81.07043	38.7
83.04957	2.2
83.08603	6.2
85.06522	1.4
91.05457	26.0
93.07032	30.6
95.04959	3.8
95.08590	28.4
97.06527	5.5
97.10149	2.7
105.07013	25.8
107.04929	1.2
107.08584	16.5
109.06490	2.6
109.10140	12.3
111.08101	1.7
113.12401	1.3
115.05444	2.4
117.06988	13.5
119.08563	17.3
121.10124	13.0
122.00809	1.1
123.08064	1.6
123.11671	2.6
125.09599	1.8
128.06215	3.1
129.06984	11.6
130.07797	1.8
131.08546	18.1
133.10098	13.9
135.11670	7.6
137.13222	1.6
137.53204	1.1
139.34055	1.5
141.06984	5.1
142.07751	2.5
143.08533	15.6
145.10115	22.2
147.11665	10.6
149.09599	2.4
149.13257	4.8
153.06943	1.5
155.08485	10.2
157.10101	17.0
159.11681	17.1
161.13248	6.6
163.14828	1.3
167.08522	5.6
167.41223	1.2
168.09297	2.0
169.10088	14.4
169.30862	1.3
171.11656	13.9
173.13208	8.2
175.14850	2.5
179.08583	1.7
181.10100	7.8
182.10910	1.5
183.11681	13.9
184.12120	1.1
185.13245	10.1
187.14836	4.2
193.10164	1.2
195.11664	7.7
197.13272	9.0
199.14778	7.1
201.16348	3.6
203.14258	1.3
206.04497	1.4
207.11690	3.7
209.13199	7.9
211.14815	9.5
213.16431	4.4
219.17465	2.2
221.13187	2.4
223.14861	5.1
225.16364	4.0
227.17995	3.1
229.19467	2.4
233.13257	1.3
235.14778	3.0
237.16351	2.9
239.17970	6.2
247.14742	1.5
249.16339	1.6
257.18964	7.0
259.20551	1.8
261.22134	2.8
265.19269	1.4
275.20062	9.3
283.20694	1.6
331.22684	2.6
335.25833	2.3
337.25186	1.6
339.23709	1.5
365.28265	1.6
391.29538	2.1
403.18939	1.6
405.19995	2.9
419.17349	1.5
432.18689	1.8
433.19489	3.3
434.20154	2.3
435.20883	1.6
447.21088	2.9
448.21820	5.6
449.22461	3.9
473.32730	1.4
476.21124	2.4
477.21771	1.8
499.38953	2.7
502.36273	1.3
515.37323	1.4
517.40466	12.0
520.24225	1.3
521.24719	5.9
525.36066	1.5
535.41791	5.9
549.23871	5.8
581.26495	2.7
591.43982	12.2
609.26172	58.3
609.45038	100.0
610.26459	6.2
610.45435	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1446
Annotation	6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03936	0.2
55.01875	0.1
57.03410	0.3
61.02917	0.2
67.01851	0.7
68.99790	0.5
69.03423	0.8
69.20777	0.8
69.21201	0.5
70.06568	0.4
71.04974	0.3
73.02909	1.4
81.03412	0.5
84.08121	0.1
85.02896	3.3
86.09695	0.1
87.04436	0.2
91.05465	0.7
95.01344	0.2
97.02869	1.0
99.00830	0.1
99.04430	0.4
101.02388	0.1
109.02859	0.4
113.02380	0.1
119.04923	2.0
121.02842	0.9
123.04372	0.2
127.03905	1.6
131.03357	0.1
131.04958	0.1
137.02364	0.6
139.90979	0.1
141.01796	0.4
145.02841	0.8
145.04951	0.9
151.03854	0.3
153.01799	4.7
153.52391	0.1
159.02835	0.2
163.03905	0.6
171.02936	0.9
173.05908	0.1
187.03833	0.2
195.02554	0.1
201.05463	0.2
203.07082	0.2
211.87743	0.1
225.05396	0.3
229.04964	0.8
243.06485	0.4
247.05984	0.3
257.04468	0.4
271.05972	100.0
272.06314	1.4
283.05887	0.3
285.03995	0.1
286.04617	0.1
287.05460	0.5
301.07373	0.1
303.04941	11.0
304.05374	0.1
345.06180	0.1
354.32843	0.1
429.07867	0.2
433.07483	0.4
447.09131	4.9
447.15308	0.3
528.03540	0.1
602.39978	0.1
609.14380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.05495	18.9
57.03411	8.1
57.07043	4.8
64.87466	4.8
67.05507	30.1
67.05790	5.7
69.03405	23.0
69.07064	27.2
70.06589	11.6
70.77204	15.7
71.04971	8.0
73.02892	8.1
79.04349	4.8
79.05488	36.1
81.03403	21.0
81.06608	7.5
81.07058	100.0
83.08613	16.0
85.02893	41.3
85.06522	8.4
87.00814	14.1
88.53818	5.3
91.03933	8.1
91.05467	17.2
93.07043	57.4
95.04949	15.1
95.08608	70.6
97.02888	18.1
97.06522	5.4
97.10160	8.3
99.04425	7.7
103.05438	7.0
105.01835	13.1
105.07037	39.0
107.04996	6.0
107.08627	36.4
109.02869	20.9
109.06494	10.7
109.10133	41.7
111.08009	4.9
111.11711	6.4
117.06973	6.6
119.08573	32.6
120.08167	6.7
121.06522	5.5
121.10102	41.3
123.08000	8.2
123.11685	21.1
127.03886	30.6
131.08514	8.4
131.24957	4.4
133.10127	24.3
135.11690	21.1
137.09637	10.3
137.13206	6.8
137.44893	6.0
145.04936	14.9
145.10097	16.6
147.08057	8.7
147.11690	15.5
149.13225	10.8
155.10695	7.0
159.02873	7.2
159.11641	26.9
163.11153	9.6
165.03935	5.3
167.10487	5.7
173.13228	10.3
175.14815	10.7
175.57072	5.1
177.05418	7.3
177.16333	5.3
187.14775	5.3
189.16422	10.3
203.17856	13.4
215.17940	49.7
221.19000	7.8
233.18918	33.1
235.15663	5.5
251.20036	54.6
289.25543	6.4
307.26321	8.4
511.23474	5.8
571.19684	6.2
609.31708	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	609.1445
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03927	0.8
55.01876	0.2
55.05489	0.4
57.03405	0.7
61.02917	0.6
68.99778	0.5
69.03424	1.8
70.06564	0.5
71.04982	1.4
71.32599	0.4
71.32958	0.2
72.08159	0.3
73.02908	12.8
81.03409	1.8
83.04955	0.5
85.02896	11.1
86.09669	0.4
87.04476	1.1
89.06052	0.3
91.03947	0.2
95.04958	0.5
97.02885	3.6
99.00797	0.5
99.03870	0.2
99.04448	2.8
107.04970	0.4
109.02859	2.2
111.00790	1.2
117.05490	0.3
119.04836	0.2
121.02852	0.9
123.04396	0.5
127.03903	10.8
131.04845	0.3
135.04367	0.3
137.02322	2.7
139.03856	0.2
145.04951	4.2
149.02275	0.5
151.03841	0.5
153.01805	3.7
161.06049	0.2
162.80997	0.2
163.03888	0.8
165.01811	2.1
166.02496	0.3
167.03236	0.3
167.64723	0.2
173.05959	0.5
183.02873	0.8
184.36563	0.2
187.03882	0.3
201.05460	1.5
207.06264	0.3
219.06413	0.3
228.04170	0.3
229.04958	3.6
247.06026	0.8
253.07056	0.3
257.04404	2.8
268.88467	0.2
271.05853	0.5
274.04636	1.1
285.03940	1.2
287.05353	0.6
301.07050	0.5
303.04950	100.0
304.05368	1.7
315.05066	0.2
327.04996	0.2
345.05963	0.6
361.09552	0.3
433.07480	0.3
499.01019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80090	3.7
55.01851	6.4
55.05508	9.5
57.07053	14.0
65.09985	3.9
67.05483	9.1
69.07043	7.3
71.08601	10.6
71.53809	7.0
79.05482	7.3
81.07044	34.1
83.08611	5.4
85.10195	4.6
91.05457	6.0
93.07030	6.1
95.08582	13.8
105.06993	5.4
107.08566	6.5
109.06506	5.3
109.10104	4.9
111.04440	16.2
119.08569	4.3
121.10124	4.3
125.05929	6.3
133.10107	6.5
135.08063	5.6
135.11658	4.9
137.05960	100.0
137.13232	3.6
147.11649	9.0
161.09557	4.8
179.10512	3.7
185.13281	3.6
203.17932	7.5
231.17491	5.6
249.18475	11.3
277.17960	80.5
295.18958	25.9
304.61719	3.8
313.27322	35.4
351.21567	11.5
447.24536	3.9
589.44678	12.4
607.28143	5.7
607.44708	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	607.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52500	0.4
60.44572	0.4
65.85625	0.5
69.27565	0.5
69.88198	1.9
69.88621	0.6
81.06961	0.6
114.92542	0.5
117.62574	0.5
125.43999	0.5
361.79037	0.5
376.17761	0.6
388.16937	1.4
389.17673	2.2
390.18643	0.7
401.17715	1.0
402.18411	1.8
403.19110	5.1
404.19928	2.3
405.20593	2.6
415.19296	0.9
416.19876	1.7
417.21124	5.5
418.21524	4.3
419.22372	5.6
429.20923	0.8
430.17914	1.7
431.18137	12.5
431.23483	1.1
432.18576	3.0
432.24075	1.0
433.23972	18.7
434.24588	1.7
444.23544	0.7
445.19656	14.3
446.20557	7.8
447.21567	8.0
458.20718	0.6
459.21356	9.2
460.22482	32.7
461.23303	35.9
462.23935	0.9
472.22687	0.5
473.23587	6.7
474.24167	3.3
477.22720	1.7
487.25211	4.3
488.25583	1.1
489.23080	0.9
491.24286	1.7
492.25064	1.4
503.24005	0.6
504.25168	0.8
505.21704	4.9
506.26981	1.8
515.24463	1.4
517.21527	0.6
518.22937	1.1
519.27277	4.1
532.24628	2.5
533.25378	0.8
547.26978	100.0
548.27271	5.4
575.26416	1.9
578.24731	1.1
579.29877	1.7
607.29077	84.2
608.29272	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	609.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32103	1.9
53.26466	2.2
59.22606	2.1
65.03919	2.7
68.99777	6.9
70.02627	4.5
70.03038	8.5
81.03387	3.0
84.82004	1.9
98.21420	3.3
105.03391	2.2
107.04944	5.9
109.02891	3.4
111.00824	4.1
111.04388	4.5
114.98239	2.0
118.67590	2.3
123.04420	44.1
125.02367	2.5
125.92595	2.0
127.03905	100.0
135.04408	49.5
137.02332	7.9
139.03889	29.4
149.02309	3.2
151.03851	16.1
155.04936	2.4
159.04369	3.1
161.05975	3.3
163.03897	45.7
167.03346	3.7
169.06483	2.9
173.05988	4.5
175.03879	2.8
177.05382	3.3
179.03447	5.0
179.94987	2.1
183.02884	8.5
183.04337	3.4
187.03862	7.9
189.05457	6.1
191.03410	16.3
197.06052	3.5
200.15076	2.0
201.05438	9.0
203.03407	3.5
203.06955	3.0
205.04970	4.4
213.05359	3.2
215.03346	5.8
229.04932	11.4
231.06435	2.9
237.31436	2.5
243.06474	4.0
245.04532	3.7
247.05989	73.9
257.04434	20.0
259.06076	5.0
271.05933	22.5
275.05487	2.0
283.05951	8.5
287.05511	4.8
289.07019	10.0
321.06052	21.1
333.05951	6.7
365.29440	2.2
423.05804	2.5
439.06543	21.8
441.08093	7.8
457.07700	10.8
465.07956	5.8
469.07462	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	607.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79129	0.2
57.01937	0.3
59.54585	0.3
61.49908	0.3
61.86868	0.2
67.05495	0.9
70.47688	0.2
73.49837	0.2
79.05474	0.5
79.65326	0.3
79.85282	0.3
81.07047	0.8
91.05457	0.6
93.07043	0.5
95.04964	0.4
95.08653	0.4
99.32209	0.3
105.07030	0.7
107.08578	0.4
119.08606	0.5
131.08578	0.5
143.08485	0.3
145.32062	0.2
147.11766	0.3
221.10794	0.4
273.18579	0.6
327.32489	0.3
374.15497	0.6
375.15958	1.4
387.15811	0.7
388.16983	1.3
389.17618	3.3
390.18292	1.4
391.19162	1.0
400.18152	0.3
401.13281	0.4
401.17825	0.8
402.18771	1.4
403.15482	0.6
403.19522	4.1
404.20032	2.5
405.20682	3.1
407.22604	0.4
415.19397	0.5
416.16296	1.1
417.16122	4.1
417.21121	2.4
418.17688	1.1
418.21878	1.0
419.22470	6.3
420.23154	0.8
430.17807	1.0
431.18265	7.9
432.19049	3.8
433.20016	4.6
442.18259	0.3
445.20126	5.6
446.21008	7.6
447.21710	8.0
448.22424	0.9
457.19888	0.4
459.17261	1.0
459.21976	1.8
460.18365	0.4
461.19177	1.5
463.20374	0.5
463.25842	0.6
473.19550	1.0
473.24353	0.5
474.20499	5.5
475.20920	4.3
476.21729	0.5
477.23099	0.7
478.23691	0.9
487.21301	1.8
488.21918	0.5
490.23376	0.5
491.19812	2.7
501.22540	1.2
503.23404	0.3
504.21692	0.3
505.22443	1.1
506.23126	0.5
519.24054	15.1
520.24292	1.3
529.22809	0.5
547.23364	13.0
548.23480	0.9
561.25720	0.5
579.25934	6.2
605.45782	0.4
607.25439	100.0
608.25745	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	607.2905
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
67.05475	0.2
69.07030	0.1
69.36903	1.1
73.22408	0.1
77.37363	0.1
79.05483	0.2
85.03178	0.1
93.07056	0.1
95.08565	0.2
107.08567	0.2
112.81912	0.1
120.08076	0.1
135.15152	0.1
156.14474	0.1
194.08466	0.1
197.10690	0.1
207.09169	0.3
209.10786	0.2
219.09077	0.2
221.10722	0.2
223.12289	0.2
235.12392	0.3
237.13876	0.1
262.10043	0.1
310.13687	0.2
312.15036	0.2
314.16486	0.2
322.13556	0.2
324.15024	0.2
326.16290	0.2
362.16183	0.1
373.14816	0.2
375.16037	0.2
376.17609	0.2
387.16098	0.7
388.16840	0.9
389.17526	1.8
390.18588	0.6
391.19263	0.3
400.17960	0.2
401.17862	1.2
402.18329	1.7
403.19171	4.8
404.19952	1.8
405.20731	2.7
406.21359	0.3
415.14551	0.2
415.19635	1.2
416.15878	0.4
416.20490	1.6
417.16699	1.4
417.21329	5.5
418.21741	3.0
419.22314	4.7
420.22717	0.3
429.16345	0.4
429.20654	0.8
430.16953	1.8
430.22330	0.6
431.17993	9.7
431.23383	1.1
432.18597	2.9
432.24173	0.5
433.24097	8.7
434.24710	1.4
443.18182	0.3
444.18369	1.0
445.19733	12.7
446.20648	6.0
447.21661	4.9
449.23523	0.2
457.20139	0.4
458.20825	0.5
459.21381	4.5
460.22507	8.1
461.23242	7.0
462.20450	0.5
463.21286	0.2
472.22531	0.2
473.23645	2.4
474.24396	1.0
475.21423	0.4
476.21860	0.4
477.22852	0.6
487.25134	1.0
488.25906	0.3
489.22681	0.6
491.25311	0.7
492.25208	0.4
503.20453	0.2
505.21640	2.0
506.26770	0.3
515.24042	0.2
517.22272	0.2
518.22845	0.3
519.24170	1.1
532.24646	0.6
533.25446	0.3
546.22302	0.2
547.26990	14.0
548.27216	0.9
575.26117	0.5
578.25195	0.2
579.29596	0.4
592.26434	0.2
607.29034	100.0
608.29346	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	602.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83324	0.6
55.05505	0.6
57.07070	6.0
58.06590	2.7
58.65363	0.6
59.29554	0.6
60.86089	0.6
65.03932	1.7
67.05495	1.3
70.06586	23.0
71.08618	4.1
71.52953	0.6
71.89109	0.6
72.08147	0.6
79.05483	1.0
81.07051	1.2
84.08186	0.7
88.07624	21.5
91.05479	0.8
95.08600	0.7
102.09173	15.5
102.92121	0.7
105.03394	1.1
109.10181	0.7
119.08566	0.8
131.04843	0.7
133.02858	0.6
137.01390	0.6
147.04411	2.4
149.02322	39.4
156.17485	0.9
175.03954	1.3
177.05530	1.5
181.04947	0.9
193.04939	49.1
194.05357	1.1
200.20078	56.2
201.20482	1.5
201.99449	0.7
219.06642	1.6
225.05374	0.7
237.07565	13.7
237.09943	0.8
238.07619	0.7
244.22778	2.1
256.86121	0.6
269.04489	1.6
297.03995	2.5
301.92661	0.6
306.08496	0.7
313.07074	3.3
341.06558	11.1
345.05988	1.1
359.07538	7.4
373.98669	0.7
385.09109	21.5
429.11777	32.9
430.12149	1.5
584.28467	2.1
602.29498	100.0
603.30127	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49332	3.2
53.03933	8.3
55.05500	17.2
57.07059	16.1
59.04985	4.5
67.05494	31.1
69.03416	10.5
69.07072	22.4
70.23878	14.8
71.08643	5.1
76.34105	3.7
79.05493	34.4
81.07048	55.7
83.04968	14.4
83.08595	10.8
85.06515	5.0
87.04454	6.1
89.06028	8.7
91.05467	53.8
93.06487	5.2
93.07030	68.7
95.04955	15.1
95.08585	37.1
97.06527	7.8
97.10194	4.8
105.07024	80.8
106.07316	4.2
107.08587	52.6
108.08898	5.6
109.06510	11.0
109.10138	24.1
111.08061	5.7
113.05991	4.0
117.07015	18.6
117.19636	3.6
119.08567	81.2
121.06509	5.0
121.10133	57.4
123.08046	26.3
123.11665	8.6
125.06031	4.5
125.09612	6.3
128.06210	10.5
129.07011	18.9
130.07777	10.2
131.08557	35.9
133.06438	5.0
133.08606	4.5
133.10100	49.0
135.08069	21.7
135.11696	20.9
137.09592	17.4
139.11212	4.1
141.06981	6.0
142.07768	19.5
143.08569	32.1
144.09247	8.9
145.10107	56.8
146.10474	5.6
147.08043	26.4
147.11687	10.7
149.09601	15.5
149.13243	4.2
151.07527	12.2
151.11267	4.6
155.08502	11.9
156.09290	15.7
157.10100	38.4
158.10887	4.0
159.08121	8.0
159.11690	35.8
161.09601	10.3
161.13203	7.9
163.11172	10.3
165.07062	4.9
165.09116	46.1
167.08525	4.9
167.10635	25.4
169.10098	19.4
170.10806	10.8
171.11668	31.6
172.12128	3.6
173.09607	4.7
173.13271	20.1
175.11165	8.0
175.14772	8.5
177.12697	4.2
179.08527	8.5
181.10109	14.1
181.12196	11.9
182.10837	4.7
183.11731	19.3
185.09686	3.6
185.13255	17.3
187.11227	5.9
187.14851	6.0
189.12706	8.7
191.14331	5.9
193.10083	9.9
194.10849	4.4
195.11667	18.8
196.12378	6.8
197.13232	21.0
199.14850	12.7
201.16322	4.5
203.14323	22.3
207.11647	15.0
207.13649	7.1
208.12474	4.7
209.13235	22.1
209.15042	4.4
211.11084	4.6
211.14792	12.8
213.12753	5.6
213.16226	7.6
215.14314	5.2
221.13216	9.3
221.15315	100.0
222.13708	5.6
222.15752	5.2
223.14838	12.9
224.15253	4.0
225.16493	5.1
233.13216	5.3
233.15338	15.7
235.14700	6.1
236.15207	5.1
237.16409	6.8
239.17888	5.9
245.13034	4.1
247.14767	5.5
247.17090	4.5
256.17966	4.6
269.19000	7.5
283.20508	4.3
287.20126	5.2
295.20648	3.9
299.20108	5.1
349.25504	4.7
367.26251	6.1
418.21774	3.7
491.34787	10.5
509.36185	8.4
565.40393	4.7
583.41217	17.0
601.42719	42.9
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
51.02376	1.7
53.03933	2.2
54.15881	1.6
55.05509	8.8
57.07058	7.6
59.04990	2.5
65.03931	2.0
67.05495	16.9
69.03416	9.1
69.07061	7.6
70.70350	1.6
71.54121	2.0
79.05488	17.1
81.03390	2.5
81.07047	23.7
83.04966	4.1
83.08611	5.1
85.06524	3.3
87.04475	3.7
89.06023	6.0
91.05469	22.7
93.07034	37.8
95.04938	6.2
95.08592	20.2
97.06509	3.3
103.63091	1.8
105.07026	45.1
107.08580	23.6
109.06501	8.4
109.10152	11.1
111.08078	3.2
113.09698	2.0
117.06994	6.5
119.08572	46.0
121.06474	6.4
121.10128	22.4
123.08063	14.6
125.05968	4.5
128.06200	4.5
129.07002	9.3
130.07738	5.2
131.08539	17.8
133.06500	1.8
133.08565	4.3
133.10098	21.4
135.08032	11.4
135.11639	8.4
137.09570	11.0
139.11180	2.5
141.06966	2.3
142.07747	5.4
143.08540	14.1
144.09340	3.3
145.10104	28.4
147.08028	23.9
147.11684	8.1
149.09618	5.4
151.07544	13.0
155.08531	8.7
156.09305	5.8
157.10112	21.1
158.10866	2.1
159.08083	3.3
159.11652	13.8
161.09608	4.7
161.13235	7.5
163.11166	5.8
165.09109	44.8
165.12561	1.9
167.08469	2.0
169.10062	9.3
170.10898	2.8
171.11684	9.6
173.09544	3.8
173.13251	6.5
175.11174	3.6
175.14778	5.2
179.08505	3.5
180.09181	2.5
181.10155	5.9
181.12201	8.0
183.11642	8.8
185.13213	8.4
187.11061	2.7
187.14856	5.4
189.12727	5.2
193.10155	3.3
195.11708	5.7
197.13234	7.7
201.12686	2.4
203.14276	18.0
207.11681	4.9
207.13766	4.5
208.12364	2.2
209.13316	8.6
209.15117	2.9
210.13945	2.4
211.14751	5.8
213.12708	2.9
215.14433	2.3
220.12338	2.0
221.13396	5.3
221.15331	100.0
222.15588	2.5
223.14827	4.7
225.12813	2.8
225.16333	2.4
227.14236	3.2
231.13620	2.3
235.14809	3.3
237.16437	3.6
265.19424	2.4
283.20615	2.4
285.18332	2.2
287.20163	3.3
299.19965	2.4
301.21591	4.8
316.69086	1.9
365.24515	2.7
367.26343	4.4
387.67001	2.0
491.34912	9.9
509.36200	3.3
521.35962	2.5
583.41534	13.4
601.34174	2.3
601.42627	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.01852	2.7
55.05500	21.1
57.07073	14.2
59.04991	5.3
65.03934	6.1
67.05493	33.4
69.03431	20.6
69.07063	22.8
70.99171	4.0
70.99516	3.0
71.04996	2.8
71.70002	1.6
71.96313	1.7
77.03938	3.1
79.05024	2.2
79.05481	35.3
80.05849	2.4
81.03418	3.3
81.06582	3.9
81.07047	49.2
83.04973	22.9
83.08626	15.5
85.06544	9.5
86.16190	1.8
87.04460	4.3
91.05473	59.1
92.05788	3.7
93.07034	84.7
94.07373	3.8
95.04949	31.1
95.08593	44.4
97.06528	11.1
99.04500	2.0
99.08075	2.3
103.05433	7.3
103.55917	2.2
105.04427	2.5
105.07018	99.7
106.07332	6.0
107.04961	4.0
107.07872	4.2
107.08584	74.4
108.08880	3.9
109.06506	18.0
109.10142	29.6
111.08081	5.7
111.11665	4.1
113.09618	4.5
115.05453	7.1
116.06243	3.1
117.07000	21.1
119.08566	100.0
120.08891	3.8
121.06507	12.8
121.10130	75.6
122.10421	3.4
123.08039	25.5
123.11670	11.8
124.08418	2.2
125.05999	9.6
125.09615	13.9
128.06189	15.8
129.07001	21.5
130.07845	10.9
131.08553	49.7
132.08939	3.9
133.06459	6.0
133.10123	57.7
134.10460	2.2
135.08035	26.2
135.11668	20.4
137.09578	16.8
137.13266	2.2
139.11171	4.7
141.06960	6.5
142.07771	24.1
143.08551	47.1
144.09406	9.1
145.06462	3.8
145.10103	71.9
146.10445	5.8
147.08035	25.2
147.11668	23.3
148.08401	4.7
149.09610	24.0
149.13252	4.2
151.07536	15.1
151.11131	4.3
152.07860	2.8
153.06982	4.1
153.09117	2.9
155.08498	16.9
155.10634	3.7
156.09340	19.2
157.10118	59.0
158.10748	11.7
159.08038	15.8
159.11691	38.5
160.08711	2.8
160.12173	2.9
161.05975	1.9
161.09616	20.2
161.13231	12.3
163.11166	17.9
165.07014	5.0
165.07687	2.7
165.09100	46.9
166.07729	4.6
166.09470	4.1
167.08537	8.0
167.10654	51.5
168.09286	8.8
168.10948	3.4
169.10085	28.7
169.12238	2.4
170.10803	9.0
171.08003	3.1
171.11659	36.1
172.12172	4.6
173.09610	8.8
173.13229	19.6
174.13666	2.7
175.11188	12.6
175.14857	10.6
177.12534	2.4
179.08524	11.7
180.09264	6.2
181.10129	18.3
181.12115	15.2
182.10854	7.6
182.12428	1.9
182.67923	2.1
183.11665	31.9
184.12308	3.6
185.09642	5.1
185.13271	20.3
186.13605	3.2
187.11203	4.8
187.14781	7.7
189.12767	14.0
190.13313	3.3
191.08728	2.3
191.10690	3.0
191.14253	8.7
192.09334	3.5
193.10104	11.2
193.12216	5.2
194.10863	10.5
195.11665	23.2
196.12503	11.1
197.09531	2.3
197.13263	22.1
198.13795	4.4
199.11121	5.6
199.14743	12.9
200.11710	2.2
201.12727	8.5
201.16325	3.8
203.14265	19.6
204.14825	2.4
205.10094	3.7
206.10858	4.9
207.11679	17.4
207.13809	9.4
208.12457	9.7
208.14301	2.5
209.13231	22.2
209.15167	4.3
210.13840	4.4
211.11118	5.5
211.14821	17.3
212.15346	3.6
213.12762	10.1
213.16345	7.5
215.14328	6.4
217.10101	2.8
217.15887	7.2
218.10872	2.0
219.11746	4.7
219.13734	3.6
220.12465	6.2
221.13239	11.7
221.15315	82.1
222.13774	3.2
222.15715	9.9
223.11234	2.3
223.14746	14.3
224.15413	3.2
225.12743	5.0
225.16289	8.1
227.14265	8.1
229.12425	2.5
229.15680	1.9
231.11607	6.0
231.13707	3.2
231.17450	2.7
233.13182	8.2
233.15372	22.9
234.13849	4.2
234.15996	5.3
235.14684	12.4
236.15445	2.8
237.12695	4.5
237.14775	6.6
237.16473	6.5
238.17046	2.6
239.14229	3.4
239.17909	4.7
242.16330	3.1
245.13281	5.2
246.13930	4.6
247.14705	6.4
247.17053	6.1
248.13696	2.5
249.16454	8.3
251.17964	3.0
255.17459	6.5
256.17792	4.0
257.13095	2.2
257.19037	5.3
258.13910	2.5
259.14755	3.6
261.16348	6.7
263.18042	4.1
265.15869	3.0
265.19415	8.0
267.17422	3.4
269.18973	4.3
271.20471	2.9
273.16278	3.9
274.19208	3.5
275.17877	6.3
277.16217	2.3
277.19464	5.5
279.17371	2.6
281.18961	5.2
283.20572	6.8
286.19339	5.0
287.19897	8.8
288.20367	3.1
289.19431	4.5
291.21048	4.2
293.18994	2.9
295.20319	5.7
299.20169	2.8
300.20929	4.1
301.21628	7.2
303.19357	9.5
304.19803	6.8
305.18945	2.4
309.21960	3.3
311.19806	3.5
312.20737	5.7
313.21533	5.1
316.21396	2.3
325.21542	2.6
326.21838	2.9
331.24243	4.1
349.25162	4.8
350.07748	2.1
352.23926	11.4
353.24374	19.5
357.25644	3.0
361.25250	2.9
365.24561	3.4
366.24945	2.9
367.26358	10.4
375.26904	3.2
379.26248	2.8
393.27899	5.6
401.28387	2.4
435.99673	2.0
491.34824	6.2
503.35037	5.1
508.34909	4.4
509.35529	6.7
521.35693	12.7
565.40051	8.1
583.41455	17.2
601.42249	57.8
602.43188	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71181	2.1
53.03932	5.7
55.05507	22.3
57.07069	9.8
59.04992	4.2
64.52779	1.8
65.03933	4.4
67.05497	36.6
69.03418	13.7
69.07061	24.1
69.25252	19.8
71.04967	4.4
74.80506	1.9
76.03542	1.9
79.05479	31.6
81.07048	46.4
82.07381	2.0
83.04972	20.3
83.08613	16.7
85.06531	6.2
87.04463	5.3
91.05471	52.9
93.07036	78.9
94.07336	3.5
95.04962	25.0
95.08600	43.9
97.06522	10.5
97.10135	3.1
98.20773	3.0
103.05457	5.5
105.04503	2.4
105.07024	100.0
107.04940	1.9
107.08585	79.2
107.09312	4.1
109.06504	15.3
109.10146	32.4
109.10842	2.9
110.68813	1.8
111.08064	7.0
111.11700	3.2
112.74893	2.0
113.09628	4.5
115.05431	8.1
116.06185	4.7
117.06993	22.1
119.08574	92.8
120.08891	3.1
121.06479	11.8
121.10127	86.8
122.10437	3.9
123.08074	18.9
123.11687	10.4
125.05930	2.7
125.09631	14.1
128.06216	14.7
129.06989	15.0
130.07777	7.8
131.08557	41.4
132.09364	2.2
133.06488	4.1
133.10117	66.5
134.10425	3.2
135.08046	18.0
135.11658	16.4
137.09622	11.4
139.11163	6.1
141.06955	10.4
142.07784	22.8
143.08549	45.0
144.09363	11.4
145.06415	3.5
145.10109	71.1
146.10406	3.9
147.08063	10.8
147.11661	21.1
149.09589	24.5
149.13271	6.0
151.07530	8.3
151.11142	4.0
153.06964	3.8
153.98795	1.8
154.07773	4.0
155.08539	20.6
155.10634	6.4
156.09346	21.7
157.10126	59.3
158.10727	7.9
159.08070	17.1
159.11676	38.9
160.08775	3.3
160.12065	2.8
161.09590	18.4
161.13248	8.3
163.11174	11.9
165.06989	6.1
165.09096	11.4
166.07713	3.2
167.08594	11.0
167.10655	60.0
168.09319	7.7
169.10100	28.9
170.10886	8.9
171.11682	33.6
172.08803	2.5
172.12224	4.2
173.09634	7.0
173.13261	27.3
175.11154	9.5
175.14780	12.5
177.12787	3.8
179.08530	12.2
180.09277	6.4
181.10121	18.9
181.12221	7.8
182.10974	9.5
183.11671	22.4
184.12416	6.3
185.09660	3.5
185.13232	19.0
186.13950	2.4
187.11156	7.7
187.14769	10.3
189.12720	7.7
189.16373	3.4
191.08536	2.3
191.14264	5.8
192.09302	4.4
193.10085	13.8
194.10883	8.7
195.11658	22.8
196.12445	9.0
197.13203	25.9
198.13882	4.0
199.11032	3.7
199.14845	14.7
201.12721	4.4
201.16385	7.7
203.14293	7.6
204.14594	2.6
205.10165	4.4
205.15878	2.8
206.10835	4.4
207.11726	17.0
207.13628	3.6
208.12360	6.9
209.13284	24.8
209.15187	3.7
210.13937	6.0
211.11266	4.4
211.14790	19.2
212.15305	2.4
213.12747	6.0
213.16336	6.7
215.14316	7.0
217.15813	3.4
219.11681	7.7
219.13655	3.0
220.12291	3.1
221.13187	15.0
221.15359	22.9
222.13884	5.6
223.14700	15.0
224.15486	4.8
225.12798	4.6
225.16298	11.4
227.14258	5.1
231.11674	4.4
232.12495	4.3
233.13168	7.5
233.15337	33.1
234.13766	2.9
234.15863	3.0
235.14728	11.8
235.16812	2.3
236.15573	2.8
237.16365	7.8
239.14241	3.1
239.17918	7.0
241.15915	3.3
241.19392	2.1
243.11667	2.2
244.12572	3.6
245.13223	4.6
246.13853	2.4
247.14737	5.2
248.15465	3.2
249.16345	7.9
251.17918	7.3
253.16051	2.6
253.19363	3.6
255.17499	4.9
257.19052	4.3
259.14746	4.1
261.16312	7.8
262.16907	2.5
263.17892	6.2
265.16113	2.1
265.19482	3.7
267.17545	2.3
269.18997	9.2
271.20041	2.6
273.18619	3.8
275.17929	6.1
277.19547	4.8
279.17361	2.5
281.18927	5.2
283.20572	4.9
285.18475	5.8
287.20148	4.8
289.19406	3.9
291.21140	1.9
293.18903	2.5
295.20563	4.1
297.22107	3.7
299.20020	6.5
301.19193	2.1
317.22665	2.6
343.23981	2.4
347.23785	2.8
349.25366	3.3
353.24670	3.3
365.24661	2.3
367.26083	2.7
491.35190	2.4
515.37335	2.5
521.35767	2.4
565.40216	3.8
583.41113	5.9
601.42291	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.3
53.03930	9.3
53.70959	2.2
55.05505	19.3
57.07068	13.7
59.04984	5.6
65.03909	6.4
67.05500	37.5
69.03423	23.5
69.07056	29.4
70.99385	5.4
70.99714	3.6
76.94806	2.3
77.03908	2.5
79.05482	37.2
80.01046	2.8
81.07047	52.9
83.04976	23.7
83.08601	13.8
85.06531	6.6
87.04437	3.2
91.05476	64.9
92.05808	2.8
93.07034	93.1
94.07336	3.8
95.04957	27.9
95.08599	41.3
96.08939	3.5
97.06516	11.2
97.10104	3.0
98.20811	2.5
103.05454	4.3
105.07021	100.0
106.07301	3.5
107.07882	4.4
107.08587	68.7
109.06509	17.6
109.10146	29.2
111.08039	5.0
111.11701	3.1
115.05446	4.5
117.07006	22.0
118.07350	4.3
119.08565	96.6
121.06481	11.2
121.10139	76.3
122.10413	4.3
123.08051	23.4
123.11696	8.6
124.08295	2.7
125.05969	5.0
125.09624	10.7
128.06186	11.9
129.06995	18.2
130.07753	8.3
131.08546	45.9
133.06505	6.0
133.10123	49.6
134.10422	4.3
135.08034	22.8
135.11678	19.4
137.09619	14.9
139.11116	3.8
141.06949	10.4
142.07755	23.9
143.08557	47.1
144.09380	15.6
145.10114	73.5
146.10504	5.5
147.08037	30.7
147.11679	22.0
149.09607	20.5
149.13184	4.5
151.07562	16.6
151.11166	6.7
154.07713	5.9
155.08493	21.7
156.09334	21.2
157.10121	59.7
158.10703	8.2
159.08046	18.5
159.11681	36.4
160.08711	2.7
161.09596	21.9
161.13251	10.6
163.11177	16.9
165.07007	6.1
165.09082	43.5
166.09471	4.0
167.08548	11.8
167.10654	43.8
168.09352	6.8
168.10959	2.9
169.10100	25.9
170.10782	12.3
171.07985	6.9
171.11693	33.9
172.12074	5.1
173.09579	9.5
173.13243	25.8
175.11159	12.7
175.14803	13.1
176.11539	3.2
177.09113	2.9
177.12608	4.0
179.08559	9.6
179.10736	4.2
180.09273	6.2
181.10143	18.1
181.12192	11.0
182.10822	10.7
183.11714	22.7
184.12361	6.8
185.09630	6.7
185.13226	22.0
186.13644	4.3
187.11195	6.7
187.14751	10.5
189.12724	10.6
190.13466	4.0
191.14282	7.3
193.10077	9.2
193.12119	5.1
194.10817	9.9
195.11694	25.2
196.12233	8.9
197.13239	28.5
198.13695	2.8
199.11168	5.0
199.14742	16.4
201.12730	4.5
201.16258	5.6
203.14281	20.1
204.14531	3.9
206.10878	4.0
207.11668	10.1
207.13802	10.4
208.12271	9.5
208.14229	5.2
209.13205	18.0
209.15239	7.0
210.13742	6.5
211.11055	3.3
211.14807	18.3
212.15424	3.7
213.12732	6.7
213.16325	4.1
215.14308	4.4
217.10095	3.1
219.11623	6.7
219.13699	3.4
220.12341	6.3
221.13222	15.2
221.15312	91.8
222.13748	5.8
222.15721	14.4
223.14775	13.8
225.12773	4.0
225.16415	12.8
227.14270	10.4
229.15666	2.8
233.13185	8.6
233.15337	25.3
234.13699	3.5
234.15921	6.4
235.14766	11.6
237.14514	4.6
237.16539	5.2
239.14236	3.9
239.17863	3.9
241.15895	3.9
245.13350	3.9
247.14651	7.7
247.16930	5.0
251.17998	5.4
253.19435	3.9
255.17326	7.4
256.17871	3.7
261.16266	6.1
263.17822	4.9
265.19479	7.4
269.18918	7.2
277.19128	3.8
279.17365	3.7
281.18997	3.1
282.19104	4.3
283.20407	8.6
284.20560	3.3
287.20029	9.3
291.20734	4.0
295.20425	6.0
296.20862	2.9
299.20148	6.0
300.20383	5.9
301.21646	6.1
303.19495	10.2
304.19760	4.8
311.20029	4.4
312.20740	5.9
313.21579	4.5
314.21603	3.2
325.21527	4.2
331.24045	5.6
349.25247	6.8
352.23993	16.8
353.24310	18.7
361.25034	2.9
365.24606	5.9
366.25058	7.7
367.26123	6.0
375.26819	4.9
379.26236	2.7
382.15051	2.8
393.27600	3.0
491.35077	6.9
503.34622	6.3
504.35425	3.2
509.35052	4.2
521.35773	14.0
522.93628	3.6
583.41193	16.7
601.42291	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01865	2.0
55.05503	6.2
57.03436	1.8
57.07068	13.8
59.04986	4.2
65.03943	1.8
67.05496	12.8
67.27872	1.6
68.10051	1.6
69.03407	8.1
69.07048	7.0
69.37678	16.4
70.73689	1.5
71.08601	2.3
79.05485	14.8
81.07043	22.8
83.04982	5.4
83.08606	4.9
85.06531	7.4
91.05466	23.3
93.07029	36.3
93.63103	1.6
95.04948	9.1
95.08607	24.8
97.06480	3.3
98.21554	4.1
101.27772	1.9
101.61182	1.6
103.37386	1.7
105.07011	36.0
106.07317	2.9
107.04927	2.6
107.08578	23.4
108.08884	1.8
109.06514	10.8
109.10148	12.4
111.08081	3.3
115.05421	2.8
117.07019	11.3
119.07702	3.2
119.08561	54.0
119.09375	3.7
120.08910	6.2
121.06495	5.1
121.10136	24.4
121.28997	2.0
123.08060	18.6
123.11671	3.5
125.05978	5.7
128.06184	4.3
129.07001	8.7
130.07755	2.3
131.08560	19.6
132.09132	1.8
133.06458	3.4
133.10095	22.6
135.08029	15.3
135.11655	6.4
137.09578	14.5
141.06976	3.0
142.07854	4.4
143.08527	17.7
144.09186	4.2
145.10092	26.3
146.10522	2.0
147.08005	26.2
147.11676	7.8
148.08476	2.6
149.09616	6.0
151.07506	14.9
152.07880	2.8
155.08530	6.5
156.09317	7.2
157.10117	21.9
158.10661	4.4
159.08003	7.7
159.11650	19.3
161.09572	5.3
161.13242	7.3
163.11185	12.5
165.09084	50.2
166.09399	4.5
167.08560	3.1
168.09398	2.8
169.10091	12.9
170.10866	4.1
171.07921	1.9
171.11597	12.0
172.12280	2.1
173.09552	5.7
173.13240	7.8
174.10146	2.3
175.11172	6.7
175.14836	6.3
177.09167	2.4
179.08539	3.5
181.10030	5.7
181.12180	11.6
182.10841	3.4
183.11670	13.2
185.13196	9.5
186.13724	1.9
187.11122	3.9
187.14809	4.6
189.12749	6.8
190.13409	2.5
191.10568	2.0
191.14247	3.0
193.10117	4.5
193.12204	3.6
194.10770	2.0
195.11667	8.3
196.12231	2.5
197.09601	2.0
197.13181	8.9
198.13696	2.0
199.14824	2.2
201.12619	3.2
203.14293	17.9
204.14598	4.0
207.11806	3.6
207.13847	10.6
208.14340	3.6
209.13196	5.3
209.15231	3.6
211.11238	2.0
211.14825	7.4
213.16359	2.1
219.13710	2.8
221.13322	4.9
221.15321	100.0
222.15689	11.8
223.14775	3.3
225.16420	3.2
227.14308	2.5
231.13577	2.2
233.13222	2.8
234.16086	6.5
235.14619	2.4
235.16660	2.6
247.16870	9.0
248.17368	5.7
249.16202	2.7
271.16946	4.4
274.19058	3.4
275.19730	4.0
277.19278	1.8
285.18332	2.3
286.19073	3.7
287.19983	8.1
288.20468	2.9
289.17703	1.8
298.19025	2.4
299.19998	6.3
300.20682	5.5
301.21518	4.3
311.20129	3.8
313.21475	3.1
325.21606	3.5
326.22009	3.0
341.24298	2.1
352.23871	7.0
353.24258	8.2
366.25076	3.4
367.26108	8.3
375.26990	2.4
393.28177	2.8
419.28976	1.9
420.29724	3.2
426.27118	3.0
428.28616	5.2
440.28949	5.6
441.29529	12.2
491.35074	8.5
509.35785	4.9
521.35681	8.2
583.41357	12.3
601.42328	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Cycloviolaxanthin
Peak:m/z	Relative Intensity
53.03905	0.9
55.01826	0.6
55.05476	2.2
57.07074	3.9
59.04991	1.4
67.05499	5.1
69.03428	3.2
69.07023	1.8
77.03895	0.7
78.29103	0.6
79.05488	5.4
81.07052	7.0
83.04954	1.5
83.08585	1.6
85.06516	1.6
91.05000	0.8
91.05483	9.9
91.06026	1.3
92.05761	1.1
93.06489	0.9
93.07031	13.6
95.04985	4.5
95.08072	0.8
95.08601	9.4
97.06506	1.0
103.05486	0.6
105.06304	0.8
105.07016	16.1
107.07970	0.8
107.08582	8.7
109.06507	4.3
109.10154	4.2
111.08046	1.1
115.05437	1.5
117.07018	3.6
119.08569	18.7
120.08833	0.9
121.06480	1.8
121.09316	1.1
121.10131	11.8
123.08034	6.7
123.11681	1.2
125.05946	2.2
125.09525	0.7
128.06223	1.5
129.06964	3.0
130.07745	1.2
131.08559	7.2
133.06482	0.7
133.10117	10.7
135.08029	5.1
135.11691	5.9
137.05936	1.1
137.09605	5.4
139.07492	1.0
140.05154	0.6
141.06967	1.4
142.07700	2.3
143.08543	5.2
144.09294	1.9
145.10114	12.2
146.10469	0.9
147.08057	8.7
147.11685	4.0
149.09625	2.4
151.07536	6.9
151.11127	0.9
153.06937	0.7
154.07646	0.8
155.08548	2.9
156.09291	2.3
157.10149	9.0
158.10806	1.2
159.07970	0.9
159.11693	7.7
160.12125	0.8
161.09579	3.4
161.13220	2.5
163.11182	4.8
165.07045	0.9
165.09099	21.5
165.12808	0.7
166.09442	0.9
167.08517	0.8
167.10672	0.9
168.09309	0.9
169.10124	3.9
170.10747	1.2
171.11688	6.1
173.09610	1.5
173.13287	3.2
175.11205	2.0
175.14854	3.2
177.09114	0.7
177.12790	0.9
179.10591	1.0
181.10065	1.4
181.12196	7.7
182.10948	1.3
182.12500	1.0
183.11678	5.2
184.12430	0.8
184.15372	0.8
185.13284	4.3
186.13811	0.7
187.11131	1.3
187.14760	3.6
189.12732	2.1
190.13457	1.0
191.14236	2.2
193.10121	1.6
193.12102	1.0
194.10925	0.8
195.11783	3.8
195.13403	1.1
197.13191	4.1
199.14813	2.1
201.12654	1.4
201.16255	1.2
203.14281	8.9
204.14619	1.0
205.15773	0.8
206.10875	1.0
207.11600	1.9
207.13789	5.2
208.14488	1.5
209.13211	4.4
209.15335	2.2
211.14754	3.0
212.15292	0.8
213.12794	1.3
213.16370	2.0
221.15343	100.0
222.15683	9.3
223.14795	2.3
223.94305	0.8
225.12917	0.8
225.16396	1.4
227.14391	1.0
229.15895	0.8
231.13974	0.7
234.16147	2.1
235.14713	1.8
235.16794	1.5
237.16385	2.0
239.14310	0.8
239.17982	1.3
245.15427	0.8
247.14749	1.2
247.16914	5.3
248.17256	1.8
249.16359	1.1
253.15933	1.0
263.17963	0.8
265.19391	1.4
273.18610	0.8
274.19186	0.9
275.20047	1.1
281.19052	1.1
283.20511	2.0
285.18604	1.3
286.19354	3.5
287.20087	5.9
295.20462	0.8
297.21976	1.7
299.19995	4.2
300.20776	3.2
301.21576	4.7
311.19974	2.1
312.20715	1.3
313.21521	2.9
325.21588	1.9
326.22006	1.3
327.22903	0.8
337.22034	0.8
339.23239	1.0
341.24442	1.4
347.23853	0.8
349.25281	2.0
352.23895	2.3
353.24326	3.2
354.24680	0.8
357.25562	0.8
364.23920	0.8
365.24890	1.8
367.26233	9.1
375.26828	2.0
377.24503	0.9
378.25302	1.2
385.28387	0.8
391.26550	1.0
393.27841	3.8
399.29526	0.8
402.27426	0.8
416.26904	0.7
419.29507	1.0
420.29889	1.4
421.30994	1.5
427.28387	1.0
428.28772	2.0
440.29123	2.8
441.29578	6.5
443.31192	1.0
464.32846	0.9
491.35257	11.2
492.35535	1.0
509.36127	4.8
521.35895	7.3
522.36316	0.8
527.36200	0.9
553.34729	0.7
565.39807	1.3
583.41382	15.2
601.42383	41.7
602.42834	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.5
55.05495	15.5
56.16790	14.9
57.07054	23.7
67.05479	41.7
69.03432	19.7
69.07049	25.1
69.18653	16.0
69.78022	100.0
79.05474	48.3
81.07058	34.8
83.04977	32.4
83.08605	22.2
85.06503	17.6
87.04452	16.1
89.05987	24.2
91.05473	75.9
93.07037	78.5
95.04932	35.4
95.08605	58.1
97.06537	25.5
105.07013	97.6
107.08603	57.4
109.10139	35.4
117.07011	26.3
119.08561	95.3
121.06461	23.3
121.10106	66.6
123.08076	40.7
129.07013	34.1
131.08549	43.5
133.10103	54.0
135.08037	48.3
135.11682	19.3
142.07864	18.9
143.08551	58.8
145.10086	68.8
147.08057	19.3
149.09619	28.5
155.08522	25.6
156.09349	25.0
157.10089	100.0
159.08093	20.5
159.11652	32.0
160.08804	48.9
161.09554	26.5
163.11153	23.7
165.06892	21.3
165.09131	69.4
169.10034	23.2
171.11711	39.6
173.09610	20.5
175.01610	18.0
175.11180	34.8
181.10118	30.5
183.11539	31.6
184.12386	23.1
185.13228	37.5
190.13553	18.6
193.12326	18.8
195.11723	23.1
197.13159	42.2
203.14290	37.3
207.11783	19.9
207.13776	19.8
208.14442	20.5
209.13269	27.6
213.12653	24.4
219.13957	21.5
221.13402	20.6
221.15311	89.7
233.15372	35.4
235.14836	25.4
237.14670	26.4
247.16992	17.4
255.17493	31.9
271.16891	31.0
286.19189	26.5
303.19489	48.5
313.21539	23.8
352.23935	94.5
365.24814	32.0
520.35321	66.9
600.41504	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28126	15.3
56.57723	18.2
57.07077	15.5
59.28423	16.2
62.02534	17.0
67.80934	16.4
69.88017	100.0
79.05498	22.6
81.07041	48.5
85.82378	15.3
89.06025	28.6
91.05449	41.0
93.07056	29.2
95.04931	22.5
95.08604	22.4
98.21496	29.4
105.07021	63.0
107.08580	38.8
109.10091	19.8
119.08573	52.2
121.10113	31.0
131.08588	19.3
133.08583	21.4
133.10123	41.8
135.08072	23.3
137.09621	19.1
144.09277	19.2
145.10120	40.2
147.11635	15.8
147.34668	16.2
148.68919	18.1
157.10126	36.1
159.07965	19.7
159.11729	31.4
169.10048	23.4
203.14421	18.2
221.15359	59.4
224.37183	19.9
247.17039	15.0
325.21762	18.5
334.51563	17.9
352.23917	25.7
440.29288	22.4
600.41302	30.8
601.72968	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05486	11.1
57.07054	14.0
58.11848	3.5
59.04982	4.5
62.75958	3.4
63.20408	3.6
66.42205	3.9
67.05489	23.2
69.03406	13.9
69.07054	15.0
69.45837	10.4
69.46265	21.6
71.08620	3.8
79.05477	31.2
81.07044	42.4
83.04956	16.4
83.08580	6.1
85.06529	8.5
89.05970	8.2
91.05464	49.7
93.07027	70.0
95.04956	19.7
95.08588	38.9
97.06493	12.7
105.07017	94.9
106.07761	6.4
107.04920	5.7
107.08582	54.6
109.06508	18.8
109.10134	19.0
115.05434	8.8
116.06215	4.1
117.06998	22.3
119.08565	80.7
121.06485	13.3
121.10140	42.1
123.08067	27.0
125.09603	4.6
128.06195	8.3
129.07007	23.4
130.07756	11.9
131.08542	37.0
132.09296	4.8
133.06490	8.1
133.10120	44.3
135.08044	22.7
135.11639	13.2
137.09641	20.3
141.06927	9.9
142.07776	20.3
143.08536	47.6
144.09306	13.6
145.10100	63.3
146.10919	5.3
147.08008	35.1
147.11664	12.1
149.09575	23.1
151.07504	17.1
154.07730	4.1
155.08519	18.6
156.09354	24.1
157.10118	72.4
158.10864	13.7
159.07988	15.8
159.11662	41.3
160.08784	4.8
161.09656	22.2
161.13191	13.8
163.11179	22.3
163.71448	3.9
165.06984	7.4
165.09082	58.4
166.07709	4.7
167.08546	9.6
167.10620	12.1
169.10118	27.5
170.10857	12.0
171.08018	6.2
171.11661	34.6
172.12358	9.9
173.09607	14.4
173.13278	13.6
175.11145	23.0
177.09052	4.9
177.12683	7.7
179.08507	9.9
179.10651	6.6
181.10098	22.7
181.12170	13.3
182.10779	7.7
183.11633	27.9
183.97156	4.4
184.12296	7.0
185.09558	10.5
185.13182	26.6
186.14037	5.7
187.11143	15.6
187.14763	11.2
189.12718	16.8
190.13501	9.7
191.10782	4.6
192.09373	6.1
193.10107	11.7
193.12166	14.5
194.10841	7.1
195.11674	23.3
196.12459	9.4
197.13240	14.5
199.11127	11.7
199.14830	5.9
201.12704	12.5
203.14310	24.1
204.09273	4.7
206.10858	5.7
207.11650	16.7
207.13754	11.1
208.12509	5.2
208.14374	6.2
209.13200	25.8
209.15117	8.4
210.13808	4.7
211.11206	6.4
211.14761	12.5
213.12733	9.2
215.14209	8.0
219.11713	8.6
219.13728	7.7
220.12430	5.6
221.13222	15.6
221.15297	87.2
222.15721	4.2
223.14783	13.1
225.12675	10.0
225.16377	9.1
227.14148	6.3
229.15764	6.3
231.11703	5.7
233.13399	6.1
233.15379	21.2
234.16109	11.7
235.14819	8.9
237.12698	7.9
237.14622	27.4
239.14284	5.5
241.15843	5.8
243.13855	4.4
245.13174	7.7
245.15523	4.2
247.16928	9.0
248.00070	4.0
248.14076	15.0
249.16515	4.7
251.18163	5.5
253.15894	10.3
255.17334	19.3
257.12991	5.0
259.17035	5.3
261.16266	8.6
269.18814	6.1
270.19501	4.8
271.16895	12.1
274.19193	16.7
279.17285	5.9
281.19009	9.0
284.66122	4.4
285.18463	9.1
286.19217	12.7
287.20068	9.4
294.19550	9.0
295.20450	5.6
297.18719	5.8
299.20047	14.4
303.19513	54.5
308.66000	4.0
313.21558	16.0
316.96490	4.2
325.21542	15.1
337.21469	10.9
351.23050	5.0
352.19473	7.0
352.23868	100.0
365.24759	19.7
377.24170	6.5
378.25345	4.5
383.25320	5.2
420.30228	5.3
487.31555	4.9
502.34131	9.7
503.35236	5.2
507.34409	14.2
508.34647	7.6
520.35284	40.1
582.39282	4.7
585.39252	6.1
600.41223	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.2
67.05493	11.5
69.07062	11.4
69.34544	100.0
79.05470	23.9
81.07041	31.4
83.08589	17.8
89.06020	27.4
91.05474	34.2
91.90089	10.3
93.07043	23.5
95.04967	19.9
95.08592	24.9
97.06563	17.3
105.07026	45.0
107.08581	19.1
107.12643	10.5
109.10149	19.5
111.36246	10.8
111.37003	11.7
117.07025	18.2
117.96105	11.0
119.08572	45.3
121.10124	11.9
123.08099	16.7
131.08585	21.3
133.08571	26.1
133.10120	26.7
142.07751	12.0
143.08572	22.9
145.10097	42.7
147.08028	16.3
157.10103	40.0
159.11641	15.1
160.08794	31.2
171.11739	20.9
181.10115	12.8
181.12267	14.0
195.11719	13.4
221.04205	12.1
221.15312	42.4
241.09830	11.2
249.16441	11.5
261.88010	11.2
266.59164	10.4
297.97556	12.9
352.23871	18.0
359.95908	12.4
481.57217	14.4
520.35175	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	599.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	1.2
57.03418	0.7
59.94203	0.4
65.97121	0.4
69.03428	0.6
69.92347	1.8
70.06577	1.0
79.05496	1.1
81.03409	0.8
84.08115	0.4
85.02892	3.5
85.07671	0.6
86.09674	0.6
91.05424	0.4
95.04980	1.8
97.02892	1.1
99.04453	0.4
99.58668	0.4
99.89828	0.4
105.06960	0.4
107.04944	100.0
108.05228	0.5
109.02877	1.0
119.04942	0.5
121.02846	2.5
121.06493	0.5
122.78101	0.3
123.04329	0.4
127.03925	0.8
127.97404	0.4
131.04932	1.9
133.06493	0.6
135.04427	0.6
136.12019	0.4
139.03888	0.7
145.06541	0.4
147.04364	1.9
149.05984	1.2
149.13191	0.4
151.03859	1.6
157.06459	0.5
159.04420	0.8
161.05896	0.5
163.03893	1.6
171.04372	0.7
173.05960	1.3
175.03860	2.9
175.07578	0.6
177.05455	1.7
181.04980	1.7
185.05913	0.8
187.03876	1.8
189.05533	1.2
191.03391	1.0
193.04967	2.7
199.03857	0.9
199.07529	0.5
201.05475	1.5
203.03355	0.9
203.06995	0.7
205.04936	4.7
211.03920	0.5
211.05859	0.6
213.05475	0.8
217.04951	4.1
219.03018	0.7
219.06544	1.6
221.04492	1.1
223.06004	1.8
225.05421	0.6
227.07021	0.4
229.04929	2.2
231.03011	0.4
231.06465	2.2
233.04393	0.7
235.05917	2.5
237.05383	0.5
237.08995	0.6
241.04897	2.0
243.06522	1.2
245.08182	0.5
247.05966	5.1
251.07033	0.4
253.04974	0.6
255.06512	1.1
257.04385	0.5
259.06021	6.3
261.07553	0.5
267.06549	0.5
271.05991	2.7
273.07516	1.1
277.07034	1.4
281.08008	0.6
283.05991	1.5
285.07620	1.0
287.05469	1.8
287.08914	0.9
289.07114	2.4
295.05884	0.5
297.07541	1.0
299.09158	1.2
301.06967	3.7
311.05371	0.5
311.09091	1.1
313.07144	2.3
317.10236	1.7
319.08188	0.5
323.08990	0.9
325.07001	2.6
327.08698	0.9
329.06613	0.6
329.10153	3.4
333.11069	0.4
337.06921	0.6
341.10242	3.9
343.08179	0.9
347.09116	0.5
353.10181	5.6
355.07889	0.6
361.09274	0.5
365.10217	3.8
377.10049	2.5
383.11340	6.1
389.10117	1.0
395.11227	8.6
401.11737	0.4
407.11163	7.3
413.12335	3.0
419.11191	5.6
425.12347	3.8
431.13403	8.8
443.13452	2.9
449.12244	5.2
454.33929	0.6
461.13010	3.3
467.13263	2.9
473.12274	0.9
479.13156	2.8
485.14383	2.5
491.13196	1.6
497.14392	6.0
509.14517	2.3
527.15399	1.8
528.25287	0.4
537.10516	0.4
545.16376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01846	2.2
55.05505	10.7
57.07065	5.7
59.04997	2.7
60.47734	1.4
64.49276	1.5
65.03940	2.7
67.05501	14.4
69.03429	11.0
69.07066	8.9
69.40698	12.5
71.04990	2.4
79.05484	17.9
81.03379	2.1
81.07045	24.0
83.04958	9.2
83.08606	5.3
85.06532	6.3
91.05482	25.6
92.06238	1.5
93.07039	28.6
95.04956	17.4
95.08601	18.7
97.02978	1.5
97.06534	4.5
103.05428	2.0
103.48017	2.1
105.07021	46.5
107.04958	4.3
107.08586	34.4
109.06506	14.1
109.10143	13.0
111.08044	3.4
115.05457	2.9
117.07002	9.8
117.79578	1.5
119.04961	2.1
119.08567	40.7
121.06480	9.5
121.10129	31.9
123.08061	15.3
123.11706	4.0
125.06035	2.5
125.09645	8.3
128.06227	5.7
129.06993	10.3
130.07780	3.2
131.08543	18.4
133.06505	6.0
133.10118	21.9
134.24565	1.4
135.08029	16.7
135.11655	8.0
137.09598	9.9
139.07585	3.4
140.28484	1.7
141.06990	3.8
142.07753	12.6
143.08549	26.3
144.09346	8.9
145.10101	32.1
147.08006	15.5
147.11673	5.8
149.09579	11.7
151.07539	12.9
153.06966	3.2
153.09114	1.9
154.07813	2.5
155.08537	11.8
155.10616	2.0
156.09326	10.7
157.10100	27.1
158.10880	4.0
159.08041	11.0
159.11674	13.7
160.08733	2.1
161.09625	10.9
161.13263	5.2
163.04173	2.0
163.05545	1.7
163.11189	7.3
165.07014	2.1
165.09093	23.9
167.08583	6.6
167.10669	16.3
168.09364	5.5
169.10132	16.7
170.10907	3.7
171.08061	4.0
171.11665	18.7
172.08768	3.1
173.09579	7.2
173.13246	10.3
175.11230	5.5
175.14746	1.8
177.09160	3.8
177.12735	3.6
179.08548	5.7
180.09378	3.9
181.10124	9.3
181.12244	6.6
182.10944	6.3
183.11674	16.5
184.12502	2.7
185.09575	3.3
185.13274	9.1
187.11240	4.8
187.14828	4.8
189.11285	1.7
189.12772	7.3
190.13635	1.7
191.14381	2.8
192.09430	2.4
192.11542	1.8
193.10182	6.7
194.10966	4.5
195.11732	11.7
195.13503	1.8
196.07677	1.5
196.12502	4.5
197.13237	13.5
198.14084	2.6
199.11188	4.8
199.14885	4.8
201.12766	2.5
203.14293	10.2
205.10152	2.0
206.10910	3.0
207.11690	10.3
207.13817	9.9
208.12526	4.7
209.13263	13.1
209.15187	3.0
210.10431	2.1
210.14027	2.1
211.11230	4.3
211.14886	5.0
213.12793	5.0
213.16483	2.1
215.14331	4.9
217.10048	2.1
217.12236	1.9
218.11000	2.3
219.11717	3.2
220.12500	2.9
221.13297	6.6
221.15331	42.9
223.11198	3.4
223.14830	8.1
225.12776	4.6
225.16434	5.7
227.14359	2.8
229.12306	2.0
229.15872	1.9
232.12492	3.2
233.13260	3.3
233.15334	30.8
235.14871	5.2
237.12833	1.7
237.14658	3.0
237.16689	3.6
239.14107	2.0
245.13290	3.2
245.15660	2.3
247.14819	3.7
247.17036	2.3
248.15543	2.0
249.16505	2.6
251.14439	2.7
251.17924	2.6
259.14899	4.6
261.16354	2.5
263.17944	3.4
265.16019	2.3
267.17285	2.2
273.18759	2.4
275.17554	2.4
281.18958	7.3
283.20563	1.7
285.18576	3.4
287.20135	3.8
293.19049	1.7
299.20184	4.6
311.20221	2.1
312.20828	3.0
352.24112	1.9
361.21048	1.7
364.23880	3.1
365.24847	4.3
373.25342	2.8
377.52246	1.7
391.26300	3.7
415.27859	2.8
441.30154	3.5
489.33923	4.1
493.33255	4.8
507.27011	3.4
507.34634	76.6
581.40051	6.5
599.40912	100.0
600.41663	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	599.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03141	0.3
53.03927	0.3
55.01870	1.1
57.03434	0.3
59.32860	0.2
65.03929	2.2
67.05498	2.0
68.99792	0.5
69.03415	0.5
69.29884	2.0
70.06578	0.6
72.08137	0.5
74.60077	0.2
79.01865	0.4
80.02628	0.3
81.03404	0.9
84.08123	0.3
85.02896	1.7
86.09683	0.4
93.03381	0.5
95.01324	0.2
95.04967	1.5
97.02864	0.4
103.03877	0.2
105.79270	0.2
107.04955	0.3
108.02072	2.4
109.02819	1.0
111.04432	0.9
112.01607	0.3
112.22379	0.2
119.04929	0.3
121.02892	0.2
121.03995	0.3
123.04351	0.5
125.06003	0.2
127.03880	0.5
134.81430	0.2
135.04399	1.1
136.01549	0.5
136.05115	0.3
137.02327	4.1
137.03325	0.4
141.01849	0.3
141.05457	3.3
147.04381	0.5
149.02371	0.3
151.03891	100.0
151.04973	7.6
152.04228	1.0
153.01860	0.3
161.02339	0.6
161.77432	0.2
165.01791	1.4
167.03423	0.3
167.07036	0.3
169.05006	0.2
175.03865	0.2
177.01825	0.3
177.05409	0.3
179.03421	0.3
183.02916	1.3
185.05992	0.2
186.29892	0.2
187.03865	0.5
189.05453	0.2
191.03485	0.3
195.02928	0.4
209.04314	0.2
213.05516	0.3
215.03352	0.2
217.04968	0.5
225.09987	0.2
226.06244	0.5
227.07037	0.4
229.04980	0.8
243.02957	0.3
243.06458	0.3
253.07050	0.5
254.05542	0.2
255.06401	0.3
257.04492	0.3
257.12808	0.3
259.05984	1.1
261.03970	0.3
271.06036	1.8
272.06793	2.9
283.06094	0.5
286.04858	0.4
287.05475	3.0
295.06155	0.3
299.05460	12.0
300.06250	10.2
301.06982	0.8
311.05490	7.7
311.08279	0.1
313.06998	2.6
314.04041	0.2
323.05548	0.4
324.06293	0.7
325.06876	1.1
327.04767	1.0
329.06509	54.3
330.06854	0.7
335.05606	0.3
339.05042	0.3
339.08627	1.1
341.06644	1.0
343.08002	0.3
349.07007	0.8
353.06482	5.8
357.05450	0.3
359.07401	0.5
367.07971	0.8
371.07544	0.4
377.06552	3.1
383.07614	0.8
395.07587	4.0
396.07184	0.2
413.08591	2.3
431.09702	6.7
449.10565	1.9
563.12054	1.7
581.12769	5.1
599.13837	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	598.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01404	1.3
57.03404	1.3
60.04509	4.9
65.06550	1.3
69.03419	2.4
70.06594	7.8
70.08320	6.5
72.08156	2.5
79.05464	3.2
81.03413	16.0
81.07047	1.3
82.59062	1.5
84.08129	1.2
85.02894	11.0
86.09669	3.5
89.03924	1.6
91.05469	4.1
95.04964	3.3
97.02883	2.8
103.05429	4.0
105.07004	3.3
107.04951	13.6
107.16371	1.2
109.02843	1.6
115.05437	5.6
117.07007	15.5
119.04919	1.6
120.08100	2.8
123.04385	4.0
127.03889	3.9
129.07001	4.1
131.04930	2.4
131.08551	3.7
133.06528	1.8
137.02319	1.6
143.04886	1.5
144.05630	1.9
145.06461	35.1
147.04358	3.8
151.03886	3.0
153.05481	2.3
155.06009	2.4
156.05673	7.9
156.92332	1.4
159.01337	1.3
159.08012	4.9
161.05948	3.4
162.20338	1.4
163.03862	2.1
167.07014	49.9
168.07449	1.6
172.05141	1.5
173.05971	59.0
177.05515	2.7
180.08632	3.2
181.04861	1.6
187.07535	4.2
190.06221	34.5
191.06961	1.8
193.08510	2.3
202.06233	4.3
203.07027	6.1
205.08577	100.0
206.08920	1.7
207.06563	1.5
208.05099	1.4
217.08574	39.4
217.10651	2.2
219.10086	2.9
223.09607	2.5
235.09586	29.0
247.09819	7.2
248.08398	1.5
265.10678	30.4
288.05704	1.5
291.10101	2.1
299.05698	2.1
300.05914	1.8
308.10367	1.4
315.08490	3.5
322.28479	1.3
323.12433	2.3
329.06552	4.1
330.07132	3.0
330.10910	5.9
331.11646	2.5
332.27954	2.1
345.04407	1.5
350.28821	2.6
351.12210	4.3
368.12323	1.5
371.14871	3.9
383.14923	10.6
401.16077	11.2
443.86633	1.8
475.73273	1.5
476.18298	1.5
536.45099	1.6
598.33453	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	597.1446
Annotation	Peltatoside
Peak:m/z	Relative Intensity
52.38795	0.3
57.03428	2.5
59.04989	0.4
61.02921	0.6
65.03909	0.4
67.05471	0.5
68.99763	0.3
69.03423	8.7
70.06579	1.2
73.02909	0.4
81.03419	0.9
84.08167	0.4
85.02898	8.7
86.09691	0.5
87.04464	5.1
91.05438	0.4
93.07017	0.4
95.04964	0.4
97.02889	6.1
98.20811	0.8
107.04928	0.7
109.02885	0.8
111.00765	0.7
115.03918	5.1
117.03352	0.3
121.02840	1.3
123.04413	0.7
127.03905	1.5
133.04958	5.0
137.02319	3.5
139.03897	0.7
145.04942	0.7
147.04393	0.7
151.03836	0.5
153.01814	3.9
163.03857	1.0
165.01871	1.8
167.03458	0.9
167.07039	0.4
173.05983	0.6
177.05412	0.4
183.02907	1.0
201.05435	2.0
229.05003	3.9
233.08037	0.7
247.06067	0.8
257.04370	2.6
273.07550	0.5
274.04617	0.9
285.03833	1.7
287.05481	0.7
288.05673	0.5
303.04965	100.0
304.05301	1.8
315.04773	0.6
339.62766	0.3
345.06046	1.4
421.36380	0.3
465.10580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1807
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01867	8.0
56.04992	4.4
57.03433	7.8
65.03931	5.9
67.05491	6.2
68.99766	6.7
70.06595	10.7
70.32736	17.8
74.02418	7.0
79.05471	5.6
81.03400	25.8
85.02908	28.1
87.05574	9.4
91.05482	11.5
93.03380	13.6
95.04935	13.9
97.02894	13.1
107.04940	23.2
109.02863	12.2
111.00806	4.7
111.04412	6.3
119.04927	12.3
121.02839	21.0
121.06519	10.1
121.84832	5.7
123.04410	35.8
127.03899	20.6
133.06039	34.0
135.04411	43.6
137.02321	9.1
139.03876	47.5
147.04340	33.7
149.02350	7.6
151.03908	14.1
153.01773	8.3
159.04404	8.5
161.05939	7.5
163.03871	20.6
165.01836	14.4
167.03339	5.1
172.40862	4.6
173.02380	8.2
173.05939	11.1
177.01811	20.2
177.05440	16.0
179.03442	6.3
181.04936	6.0
183.02902	6.3
187.03850	16.1
189.01802	19.1
189.05463	6.6
191.03333	20.8
193.01285	7.5
193.12247	10.3
195.02846	45.9
201.01871	5.6
201.05418	18.5
203.03316	13.8
207.02875	39.0
209.04271	5.4
213.05367	5.6
215.03508	11.7
217.04977	6.4
219.02895	84.5
221.04370	5.1
223.02339	19.6
225.01923	4.8
225.03833	26.2
229.05074	23.4
231.02884	51.9
233.04459	27.0
237.00801	7.0
237.04010	23.1
243.03015	25.1
245.04453	15.8
247.06050	9.0
249.03957	21.6
255.02715	15.2
257.04446	26.9
259.02682	5.8
259.05905	6.3
261.01157	4.9
261.03909	100.0
267.15872	7.0
269.04364	9.4
271.05930	9.8
273.03949	46.4
279.05063	6.4
285.03903	46.5
285.06888	8.5
285.17044	10.9
287.05499	11.9
291.04910	24.8
297.03900	14.9
297.07471	10.8
299.05389	11.1
303.05017	30.5
309.07346	6.2
315.04910	14.2
318.06934	5.3
321.05997	20.2
327.04916	41.8
327.08539	21.9
339.07718	36.1
345.06024	13.8
351.08597	21.2
357.05917	9.4
357.09821	7.3
363.07101	34.4
369.05792	8.3
375.07043	10.7
381.09637	40.4
387.07178	6.8
391.19962	4.9
393.09769	27.1
394.98874	6.0
405.08652	34.1
409.08835	6.5
411.10770	7.4
417.09747	8.5
423.09866	19.3
429.11960	32.1
430.85355	5.4
441.11270	34.6
447.10721	29.9
459.12485	27.4
460.42343	5.3
465.11783	5.8
477.11850	7.1
483.12378	10.9
495.12698	17.5
507.13022	8.8
525.13647	11.3
543.14856	10.2
577.47870	6.3
579.50592	4.9
605.36615	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	595.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01854	5.5
55.05508	15.4
56.96543	4.9
57.03432	12.6
57.07061	3.8
64.04440	2.3
67.05494	88.8
69.03400	2.9
69.07064	18.1
71.04967	3.6
79.05486	47.5
81.06593	4.1
81.07044	81.8
83.04962	8.9
83.08591	9.2
84.96007	3.4
85.06509	7.4
91.05465	63.5
91.79137	2.3
93.07033	61.9
95.04960	11.1
95.08592	64.4
97.06491	4.9
97.10128	3.5
97.42363	2.1
98.20708	3.6
98.97578	4.2
99.08050	2.2
104.77429	2.3
105.04439	2.2
105.07018	45.9
107.08574	55.9
109.06485	4.7
109.10141	71.0
111.08055	2.4
113.06007	3.2
116.98564	3.1
117.07011	14.0
119.08567	24.2
121.10123	23.8
123.08042	2.5
123.11665	17.3
123.98234	2.3
128.06184	2.7
131.08562	20.4
133.10114	100.0
134.55119	2.4
135.11685	20.5
137.13231	6.4
143.08510	9.5
145.10065	12.3
147.11673	11.4
149.13191	12.5
151.11154	43.3
151.14702	2.3
159.11674	11.9
161.01213	4.5
161.09573	20.6
161.13226	10.5
163.14764	7.3
169.12164	13.5
173.13242	10.5
175.14883	4.8
177.16373	3.8
179.10640	21.6
183.21358	2.3
187.14809	5.8
190.05109	2.8
197.11713	9.1
201.00777	3.5
215.12723	34.2
229.66629	2.7
243.21049	15.6
253.14330	25.2
261.22095	67.4
264.96735	2.6
271.15274	13.2
279.23056	8.0
282.97711	3.5
299.14743	3.8
313.20334	5.5
317.15927	55.3
317.24698	17.9
331.21384	3.6
334.53253	2.5
335.25754	90.6
513.35114	2.9
531.36438	12.3
577.37415	23.4
595.24475	21.8
595.38019	15.0
596.25098	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	596.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.5
57.03419	3.3
57.07052	3.2
67.05494	60.4
69.07054	10.2
70.96087	2.8
70.97559	5.2
70.97909	6.6
71.67879	2.6
78.76418	3.0
79.05486	43.7
81.03388	2.8
81.06598	3.5
81.07049	57.3
83.08604	9.1
91.05479	20.1
93.07032	50.1
95.08593	51.7
97.10164	5.7
102.62131	3.7
105.07000	13.2
107.08604	31.4
109.02830	4.4
109.10139	30.6
117.06958	6.9
119.08543	16.1
121.10137	30.3
123.11683	12.0
125.09641	3.8
131.08565	20.5
133.10103	12.0
135.11664	24.2
137.13268	3.9
144.42479	3.1
145.10080	9.1
147.11682	7.5
149.13226	23.3
156.64417	3.3
159.11673	9.8
161.13237	8.9
163.14764	15.6
173.13274	16.8
177.16396	3.6
187.14784	11.6
191.00023	5.8
233.22581	3.6
243.21036	33.7
261.22104	100.0
279.23260	3.3
282.51044	3.7
335.25671	16.7
337.27298	8.3
353.26807	36.2
388.49969	3.6
561.27429	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	595.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47881	1.2
55.01874	2.2
57.03427	3.5
61.02920	1.4
65.03920	2.2
68.94722	1.1
68.99792	3.9
69.03439	1.7
70.06586	1.7
71.01348	1.1
71.15804	3.3
73.02924	1.3
81.03410	5.3
85.02917	7.6
85.03350	1.7
91.05476	3.3
93.03432	2.2
95.04964	2.2
97.02886	1.6
100.64999	1.3
103.03912	3.3
103.80089	1.2
105.03371	1.9
107.04932	6.5
109.02858	5.1
111.00797	2.6
111.04413	1.9
119.04913	11.4
121.02859	40.2
121.06419	1.3
123.04412	16.6
127.03912	58.2
131.04878	3.0
135.04407	20.1
137.02380	2.2
139.03885	45.8
145.02855	7.0
145.06476	2.1
147.04355	3.1
149.02296	2.5
149.05952	1.6
151.03918	8.7
153.01781	1.2
155.03531	1.2
155.04836	2.8
159.04456	4.1
161.02203	1.5
161.05988	1.5
163.03899	23.9
165.01828	1.6
167.03406	3.5
169.06396	1.6
173.02292	1.4
175.03813	2.7
176.00938	1.5
177.01842	3.9
177.05470	4.9
179.03374	6.0
181.04939	5.5
185.05971	2.2
187.03888	6.2
189.01817	8.7
189.05481	1.7
189.39941	1.2
190.02567	1.4
191.03395	11.2
193.04973	2.5
195.02866	7.3
197.05995	1.7
200.04547	1.4
201.05486	7.0
203.03366	14.6
205.04955	3.3
207.02879	9.9
209.04492	1.9
211.07497	1.3
213.05435	2.4
215.03358	2.6
217.04990	5.7
217.98079	1.2
219.02826	7.8
221.04482	4.3
223.05942	1.9
229.04950	9.9
231.02907	2.1
233.04454	6.1
239.03252	1.7
241.04947	2.3
243.06593	3.2
245.04468	5.7
247.05995	19.8
253.04944	1.5
255.02840	2.2
255.06415	2.3
257.04428	8.8
259.05991	4.2
261.03918	1.7
267.06488	3.1
268.07272	5.1
269.04434	2.1
271.06000	10.3
273.03796	2.1
275.05463	5.6
279.06445	7.3
280.07263	2.6
281.05093	1.3
281.08060	7.7
283.06024	13.5
284.06628	1.6
285.03900	2.7
287.05472	22.6
289.07065	5.8
291.06302	1.7
293.08130	3.6
294.05240	22.3
295.05981	83.1
296.06699	9.3
297.07550	9.9
299.05508	3.5
301.07077	5.2
303.05045	1.5
305.07925	1.6
307.05893	48.2
308.06714	13.1
309.04031	2.5
309.07455	13.8
311.05771	1.7
313.07089	4.6
317.08078	2.0
319.05853	7.0
319.09235	1.6
320.06744	4.7
321.07544	31.0
322.08279	12.8
323.05530	2.9
323.09073	5.0
325.07028	100.0
326.07449	2.1
333.07568	6.7
334.08377	1.8
335.05334	2.1
335.09091	15.6
336.06140	2.7
336.09973	1.8
337.07016	63.8
337.11047	3.1
339.08884	1.5
345.07483	2.5
346.07980	1.6
347.09082	12.0
349.07001	30.9
349.10883	2.7
351.08591	23.9
353.06561	1.8
355.08112	18.3
357.07593	2.7
361.06894	20.8
361.10654	1.5
362.07861	1.7
363.08673	7.6
365.10172	12.5
367.08084	5.6
373.07047	5.8
374.07654	2.0
375.08499	12.8
377.06454	1.8
379.08096	53.8
385.06897	3.6
387.08780	2.4
389.10251	3.5
391.08069	27.2
393.09811	1.7
401.10226	2.4
403.08057	24.1
409.09106	49.2
415.08481	5.1
417.09497	2.3
421.09091	23.7
425.08865	6.7
427.10251	42.4
433.10526	3.7
439.10251	28.5
443.09573	2.3
445.09869	5.5
457.11267	80.9
463.10107	4.2
475.12299	16.0
481.11172	29.3
481.17770	2.5
487.10083	3.3
493.11362	3.4
499.12399	18.7
505.11288	6.7
511.12277	23.5
523.12292	20.1
529.13385	7.4
541.13269	27.3
541.21411	1.0
559.14343	21.5
577.15436	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	595.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.7
55.05505	17.8
56.96569	4.6
57.03434	13.1
57.07053	3.6
65.03931	4.0
65.15453	2.3
66.66993	2.6
66.87050	2.4
67.05495	89.9
69.03428	2.8
69.07066	17.6
71.04985	5.5
71.53028	3.5
79.05487	47.0
81.03429	3.0
81.07047	96.0
83.04967	6.0
83.08602	10.3
85.06533	5.0
91.05470	66.8
93.07038	51.3
93.07643	3.1
95.04954	12.1
95.08596	61.4
96.28841	2.3
97.06484	4.2
97.10172	4.2
100.03733	2.4
105.07014	47.5
107.08588	49.5
109.06522	7.0
109.10143	61.4
113.05996	3.4
117.07018	10.7
119.08588	22.9
121.10125	23.9
123.08047	6.5
123.11678	19.1
125.09629	3.5
126.96554	2.3
127.07518	4.2
131.08571	17.2
133.10114	100.0
135.11665	15.9
137.13242	3.1
139.00298	2.3
143.08554	8.2
145.10112	12.1
147.11684	8.7
149.13249	10.3
151.11163	47.3
151.14775	3.0
159.11723	8.0
161.01204	3.2
161.09645	18.5
161.13281	3.3
163.14799	6.4
167.38319	2.7
169.12192	15.2
171.02931	2.9
173.13266	9.8
175.14854	3.3
179.10672	24.2
187.14864	6.6
195.13681	2.6
197.11726	10.6
215.12784	39.0
243.21042	9.5
253.14394	23.6
261.22110	48.2
271.15445	6.9
279.23111	5.3
282.97794	4.8
299.15045	3.0
302.08041	2.7
313.20285	2.6
317.12494	5.1
317.15930	60.6
317.24719	12.4
335.25760	85.0
336.26108	4.9
425.32642	10.7
531.36609	7.2
577.37384	17.3
595.24695	9.1
595.37866	8.5
595.46844	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	595.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01857	1.4
56.62395	0.6
65.03933	0.7
68.99780	6.7
70.58231	1.5
70.58598	1.5
72.01541	0.6
81.03417	2.7
82.10480	0.6
91.05452	0.9
93.03432	1.0
95.04953	1.5
104.51563	0.6
107.04936	1.5
109.02861	3.1
111.00795	6.9
111.04439	2.0
119.04928	1.7
121.02873	1.3
123.04411	30.7
127.03902	100.0
128.04295	1.0
133.02837	1.7
135.04436	3.2
139.03886	69.9
144.70712	0.8
147.04384	9.3
149.02307	2.3
149.05954	0.7
151.03889	22.2
153.01796	0.9
155.03380	1.3
157.06467	1.2
159.04456	1.2
161.05986	2.6
163.03894	6.7
165.01501	0.6
165.05452	6.5
167.03413	3.1
169.04938	0.8
171.04396	0.8
173.05962	1.1
175.03883	15.3
176.22110	0.7
177.05458	4.8
179.03378	31.4
181.04918	1.7
185.06070	1.7
187.03897	1.6
189.05431	3.8
189.43100	0.8
191.03362	10.9
193.04979	4.1
197.05968	1.0
199.03891	0.8
201.05482	3.5
203.03372	21.3
203.05208	1.5
205.05009	1.0
207.06563	1.9
213.05428	4.5
215.03346	1.6
217.05002	4.5
219.06764	0.8
229.04967	4.1
231.06511	2.8
233.04401	6.5
241.04950	3.4
243.06535	0.9
245.04433	8.7
247.05997	2.7
251.05516	1.7
253.05017	0.8
255.06360	0.7
257.04398	10.7
258.05106	0.8
259.06021	3.1
263.05511	8.1
269.04416	4.2
271.06046	3.4
273.07504	0.8
275.05460	23.1
283.06003	1.2
286.39417	0.7
287.05472	53.0
288.05841	1.8
289.07086	0.8
291.08612	14.4
299.05460	15.0
301.06781	0.9
303.08658	1.0
305.06537	9.8
311.05621	0.8
317.06537	11.8
391.07950	0.8
409.08994	6.5
425.08630	15.6
427.10101	4.5
443.09595	5.4
451.10495	1.3
544.17712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
50.70360	0.6
53.80834	0.6
55.01862	3.0
57.12673	0.7
59.77401	0.7
61.88662	0.6
65.03913	0.8
67.05491	0.7
68.19893	0.7
68.99778	6.2
71.51717	1.1
77.03942	0.8
79.05494	1.1
81.03410	3.2
89.03906	0.8
91.05446	0.9
93.03399	0.7
95.04967	1.6
99.04429	1.3
101.72551	0.6
107.04944	3.7
109.02873	3.9
111.00789	4.7
111.04433	3.0
113.07925	0.7
115.05431	0.8
117.03343	1.2
121.02869	1.9
123.03582	1.4
123.04424	20.7
123.05344	1.1
127.03905	100.0
128.04204	1.1
131.04942	2.6
133.02803	0.8
135.04401	34.0
137.02315	1.8
139.03889	83.3
140.01178	0.7
141.06935	0.9
147.04419	1.4
149.02312	3.3
149.05965	2.3
151.03886	11.0
153.01823	0.8
153.06949	0.8
155.04930	1.8
159.04382	2.4
161.05963	2.3
163.03888	39.8
164.04340	1.5
165.05528	1.7
167.03369	7.4
169.04936	1.9
169.06471	1.8
173.06000	3.4
175.03876	3.9
177.05453	5.3
179.03410	3.8
181.04930	2.6
181.06429	1.1
183.04448	1.3
184.05153	0.9
185.05959	1.5
187.03880	6.3
187.05135	0.7
189.05467	2.4
191.03369	11.0
191.07033	1.0
193.04922	3.4
194.77089	0.7
195.06548	1.0
197.05980	3.1
201.05440	9.2
203.03380	7.2
203.07034	2.5
205.04922	4.6
213.05455	1.7
215.03340	1.0
215.07068	2.9
217.04915	2.0
223.05887	0.9
225.05775	1.0
229.04945	9.5
231.06566	1.3
233.04443	6.0
238.22925	0.7
241.04945	1.6
243.06583	3.8
245.04388	5.5
247.06009	38.3
248.06477	0.9
253.04993	0.9
255.06485	2.0
257.04468	8.9
258.05173	0.9
259.05939	8.5
269.04608	1.3
271.05984	15.5
273.07550	1.0
275.05487	12.6
283.06006	8.0
287.05466	15.7
287.08463	1.1
289.07050	9.6
299.05548	3.9
301.07031	14.6
307.08066	7.1
319.07898	1.3
407.07748	1.0
409.09155	12.2
425.08530	4.5
427.10132	6.3
427.60052	0.7
443.09763	3.2
451.09686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68489	0.2
62.75597	0.3
67.05415	0.4
69.38901	0.5
69.39310	1.7
71.08572	0.3
73.13743	0.2
77.05457	0.3
81.06971	0.3
83.81128	0.3
115.63290	0.2
148.51433	0.3
184.16396	0.3
221.10867	0.3
250.02788	0.3
387.15811	0.7
388.16751	1.0
389.17715	1.5
390.18320	0.3
401.17599	0.7
402.18362	1.6
403.19189	4.4
404.19992	1.6
405.20792	2.5
415.19531	0.6
416.20483	1.5
417.16531	1.7
417.21463	4.5
418.21591	2.8
419.22366	4.1
420.22797	0.3
430.17661	1.2
430.22501	0.6
431.18201	11.2
432.18503	2.6
433.24011	10.9
434.24814	1.3
443.18759	0.5
444.18970	0.6
445.19846	13.1
446.20660	6.3
447.21695	6.0
449.23590	0.4
459.21588	4.7
460.22498	18.0
461.23230	16.7
462.24606	0.5
463.21298	0.6
473.23520	3.5
474.23935	0.8
475.21555	0.4
476.26190	1.5
477.22040	0.7
477.27505	0.5
487.25168	2.1
488.26270	0.3
489.26721	0.7
491.24200	1.2
492.25247	1.5
504.21335	0.4
505.21957	6.3
518.23108	0.9
519.23822	1.2
520.24951	0.4
533.25421	54.0
534.25940	2.1
547.27002	0.4
561.25281	0.7
564.23529	0.9
565.27808	1.2
575.26703	0.6
591.16064	0.3
593.27502	100.0
594.28204	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	595.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
67.01834	0.4
68.99477	0.1
68.99796	0.3
69.03415	0.2
69.18050	0.7
69.18478	0.3
70.06558	0.1
71.01344	0.2
71.95359	0.1
73.02905	0.5
79.05476	0.2
81.03419	0.1
84.08144	0.1
84.60938	0.1
85.02895	0.4
86.09715	0.2
89.03923	0.2
91.05416	0.1
95.73705	0.1
97.02860	0.3
107.04922	0.2
111.04435	0.1
115.03893	0.2
117.03368	0.2
118.96773	0.1
119.04929	0.1
121.02848	0.1
123.04374	0.2
127.03882	0.4
127.18810	0.1
129.01833	0.2
135.04401	1.9
137.02336	0.7
139.03845	0.3
141.01878	0.1
147.04352	0.1
151.03879	0.3
153.01813	4.8
157.06458	0.1
160.72234	0.1
161.02304	0.7
163.03889	0.2
171.02867	0.7
179.03366	0.3
203.03453	0.1
213.05547	0.2
219.06593	0.1
231.06570	0.1
241.04869	0.7
245.04445	0.2
259.05920	0.1
269.04431	0.4
270.05313	0.1
286.04684	0.1
287.05457	100.0
288.05820	1.5
323.05328	0.1
329.06494	0.2
330.06982	0.2
383.07785	0.1
393.11407	0.1
444.11331	0.1
449.10632	0.1
463.08630	1.6
595.12836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
51.02375	0.8
55.01870	2.2
60.75622	0.5
65.03929	1.7
67.05488	1.3
68.99783	4.8
69.03416	0.5
70.06583	0.9
70.12236	1.8
70.12614	1.1
72.08122	0.6
77.03923	1.3
79.05494	1.5
81.03396	2.9
85.02891	0.8
87.00837	0.6
89.03892	0.8
91.05460	0.8
93.03394	0.9
95.04951	2.2
97.02868	0.9
99.04433	1.2
103.05445	1.3
105.03365	1.4
107.04949	6.5
109.02844	3.0
111.00780	3.1
111.04445	3.1
115.05407	0.6
117.03336	0.7
119.04918	2.0
121.02089	0.6
121.02843	2.8
123.04412	57.5
127.03900	76.4
129.07021	0.6
131.04903	2.2
133.02850	1.5
135.04395	37.7
137.02330	3.3
139.03883	100.0
140.04228	1.3
141.06966	0.9
145.02823	1.6
145.06476	1.1
147.04378	4.1
149.02380	4.2
149.05978	1.7
151.03889	11.1
153.01814	0.6
153.05461	1.4
153.06831	0.6
155.04904	1.2
157.06540	0.6
159.04385	4.4
161.02350	0.8
161.05934	2.6
163.03883	48.5
165.05435	1.8
165.06741	0.7
167.03412	5.5
167.07007	1.0
169.05006	1.9
169.06500	1.5
171.04428	0.7
173.05984	3.5
175.03911	4.9
175.07582	1.0
177.05441	4.7
179.03365	8.3
181.04932	8.4
181.06372	0.9
183.04422	1.3
185.05893	2.6
187.03864	6.8
187.07529	0.7
189.01860	1.0
189.05481	3.4
191.03368	9.0
193.04971	6.5
195.06438	0.7
197.05978	2.6
199.03883	0.9
201.05450	6.6
203.03381	12.7
203.07030	2.4
205.04976	3.2
205.17654	0.6
207.06409	0.7
213.05510	3.4
215.03368	1.7
215.06902	2.7
217.04956	4.1
219.06543	0.8
223.06012	1.1
225.05470	1.8
227.03429	0.7
229.04944	10.0
230.05655	0.8
231.06465	2.3
233.04457	3.1
237.05383	1.2
241.04964	2.5
243.06555	3.7
243.96432	0.6
245.01918	0.7
245.04434	14.9
247.05998	20.6
248.06361	0.8
253.05016	1.8
255.06430	4.9
257.04410	19.3
258.05151	2.2
259.05927	6.4
261.07483	0.8
265.04977	0.8
269.04407	3.4
271.05969	20.3
272.06522	0.6
274.38147	0.6
275.05457	16.7
276.06311	0.7
283.05960	9.2
285.03998	1.0
285.07559	2.0
287.05460	44.8
288.05792	1.3
289.07010	11.6
295.06079	1.3
299.05490	11.4
301.06998	13.9
307.08069	5.9
311.05386	1.3
313.07004	2.7
319.08087	3.8
329.06473	0.7
337.70844	0.6
349.09058	0.8
407.07443	2.1
409.09109	18.1
421.09354	0.9
425.08624	20.4
427.10184	6.5
433.10760	0.7
437.08554	2.0
443.09662	4.0
449.09024	0.6
451.10208	5.5
455.09509	3.2
467.09250	0.7
469.11047	0.8
595.13568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1492
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
52.25035	0.5
53.03932	0.9
53.77201	0.7
60.03497	0.6
70.66605	1.8
73.02888	0.7
81.03410	1.9
85.02894	6.5
99.04464	5.3
101.88607	0.6
103.03929	7.7
109.02876	2.8
127.03891	4.9
134.86697	0.6
135.04382	1.7
137.02322	5.7
145.04921	2.0
149.02310	1.0
161.02365	1.1
163.03831	0.7
165.01825	3.4
167.03403	1.0
177.01727	0.7
183.02885	1.8
187.03906	0.7
191.03305	0.7
195.02853	2.5
203.03279	0.7
227.07062	0.9
229.04903	1.1
241.05093	0.7
259.06079	1.6
271.05942	2.6
272.06735	3.3
283.06064	1.0
286.04483	0.8
287.05426	8.4
288.34082	0.7
299.05481	24.7
300.06244	16.4
301.06964	0.8
311.05460	21.1
312.05774	0.9
313.07050	4.2
323.05472	1.3
324.06363	0.9
325.06927	3.7
327.05203	0.9
329.06509	100.0
330.06732	2.0
339.04889	1.1
339.08643	2.0
341.06430	1.7
349.07095	1.7
351.05292	0.8
353.06509	13.4
367.08228	1.0
377.06461	2.7
383.07419	1.0
392.91290	0.6
395.07443	6.1
413.08588	4.7
431.09613	6.8
513.13873	3.0
515.12433	0.6
519.09351	0.7
539.11835	1.5
557.12909	5.2
575.13855	7.4
593.15228	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.19238	0.2
67.25477	0.2
70.70727	0.8
83.77509	0.2
85.96506	0.2
100.66462	0.2
101.62661	0.2
143.56795	0.2
204.36562	0.2
221.10767	0.3
384.54349	0.3
386.15787	0.2
387.16232	0.3
388.17151	0.3
389.17563	1.0
390.18573	0.3
401.17755	0.7
402.18527	1.4
403.19104	3.2
404.19843	1.1
405.20752	2.2
415.19611	0.4
416.15753	0.5
416.20294	0.6
417.16733	0.9
417.21225	4.0
418.21780	2.1
419.22217	4.7
429.21045	0.4
430.17072	1.4
431.18158	9.1
432.18784	2.8
433.24240	6.0
434.24689	1.5
444.19171	0.4
445.19849	10.4
446.20749	5.2
447.21527	5.6
449.23514	0.5
458.21368	0.4
459.21545	4.1
460.22488	9.8
461.23245	8.4
462.19662	0.3
462.24924	0.3
463.20926	0.4
473.23822	2.1
474.24078	0.4
475.21021	0.3
476.25726	0.7
477.22952	0.8
487.24744	0.7
489.27417	0.4
491.24039	0.7
492.25351	1.1
504.22293	0.3
505.21945	5.6
518.23364	0.6
519.23773	0.7
520.23834	0.3
533.25409	23.9
534.25696	0.9
561.24957	0.3
564.23822	0.7
565.28052	0.6
593.27490	100.0
594.27661	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	591.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58334	1.0
53.70528	1.3
57.66166	1.2
60.73233	1.0
61.71566	1.0
63.00877	1.0
63.83136	1.2
64.15440	1.0
67.52627	1.1
69.26971	5.9
69.27399	5.6
71.67917	1.1
91.05477	1.4
110.87080	1.0
115.05471	1.4
117.07021	1.6
117.74980	1.3
118.06541	18.6
119.04971	1.3
123.04397	3.2
130.06508	2.3
132.08083	5.1
139.03874	5.3
142.06525	1.5
143.07275	3.0
144.08070	12.9
146.05998	65.6
149.43645	1.1
159.09196	7.6
160.07504	1.4
163.03856	1.9
170.06033	4.9
176.68762	1.1
179.03413	1.1
188.07057	100.0
189.07423	2.5
205.09712	41.3
206.09967	1.2
228.61874	1.2
251.16867	1.1
299.05771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.05507	22.2
57.03440	14.1
57.06799	3.1
57.07068	47.0
65.03917	3.6
67.05497	79.8
69.07056	17.1
69.61833	10.5
69.62246	2.9
71.08627	28.3
79.05022	2.5
79.05485	51.3
81.07049	79.9
82.07387	1.7
83.08609	15.9
85.06531	1.8
85.10157	15.4
91.05467	23.5
93.07035	56.6
95.04956	3.3
95.08601	75.7
95.37302	2.2
97.06564	2.7
97.10172	7.5
98.21497	3.0
103.07573	2.2
105.07024	17.3
107.08588	30.2
109.10143	32.2
117.07012	7.4
119.08583	14.2
121.10135	19.6
123.11687	10.6
131.08559	14.9
133.10123	11.7
135.11684	18.9
137.13216	3.8
142.55719	1.9
145.10130	8.8
147.11661	6.2
149.13245	13.9
159.11664	10.5
161.13220	7.0
163.14755	4.5
173.13248	8.5
175.14812	3.5
177.16289	2.5
187.14838	2.5
239.23653	5.2
243.21056	8.8
257.24857	2.3
261.22125	63.5
261.24875	3.8
279.23212	4.7
299.23584	2.4
313.27347	100.0
314.27567	3.0
317.24631	10.7
335.25766	57.0
336.26065	2.6
342.11038	1.8
573.48859	18.6
591.49377	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	591.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14346	0.2
53.03928	0.2
53.14054	0.2
55.01865	1.7
55.05490	0.3
56.96545	0.2
61.08398	0.3
65.03931	0.9
67.01851	0.4
67.05476	0.4
68.99780	1.7
69.03388	0.3
69.50183	1.9
70.06583	0.7
71.01331	0.3
79.05473	0.3
81.03411	0.3
83.04960	0.7
86.15094	0.2
91.05480	0.3
93.03391	0.6
95.04935	0.9
97.02868	0.5
105.03387	0.4
107.04958	0.7
111.04425	3.8
113.12968	0.2
115.05478	0.2
117.03462	0.2
119.04926	0.7
121.02877	0.3
123.04410	10.9
125.02374	0.3
127.03925	0.3
128.06219	0.3
129.07027	0.4
131.04878	0.5
133.02817	0.3
135.04401	9.3
135.05432	0.5
136.42505	0.3
137.02353	0.3
139.03883	100.0
140.04236	0.5
141.01831	0.2
141.06979	0.5
145.02716	0.4
145.06453	0.5
147.04376	1.5
149.05994	0.4
151.03880	4.9
152.06192	0.3
153.05779	0.2
153.06956	1.4
157.06480	0.6
159.04379	0.9
161.02338	0.4
161.05971	1.1
163.03882	9.8
165.05441	0.8
167.04883	0.3
169.06419	0.8
173.05959	0.9
175.03868	1.1
177.05464	0.9
179.03369	5.5
181.05016	0.4
181.06487	1.6
183.15060	0.3
185.05919	1.2
187.03841	1.6
187.07538	0.4
189.05440	2.6
191.03331	0.6
193.04997	0.5
195.04343	0.4
197.05957	0.8
199.03836	0.3
199.07512	0.7
201.05380	1.2
203.03413	1.9
203.07054	0.3
205.04961	0.3
207.06410	0.3
209.05975	1.1
213.00423	0.2
213.05519	2.3
213.12398	0.3
215.03394	1.6
215.06949	0.5
217.04959	1.9
219.48199	0.3
224.17064	0.2
227.07056	1.3
229.04962	1.8
231.06421	0.5
237.05490	1.0
241.04979	1.4
245.04433	4.2
251.06657	0.3
255.06499	4.4
257.04468	1.8
259.05988	3.1
261.38297	0.3
262.38901	0.3
263.05530	0.3
265.04950	0.8
269.04404	2.1
271.05972	2.2
273.07578	0.9
281.04474	0.5
283.05972	15.0
284.06302	0.3
287.05469	5.9
287.08517	0.5
289.07031	0.6
291.08630	2.2
295.06003	0.3
299.05475	4.2
301.07022	10.8
303.08667	0.4
311.05536	1.0
343.19949	0.3
411.10809	0.7
421.03796	0.5
421.09122	6.8
433.08896	0.5
439.10220	2.1
444.48798	0.3
450.28021	0.3
468.88998	0.3
543.67700	0.3
591.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03936	0.2
55.01865	1.1
55.05486	0.2
56.91978	0.2
65.03916	0.6
67.05485	0.3
68.99773	1.5
69.03414	0.2
69.98485	0.7
70.06573	0.4
71.01330	0.3
77.03945	0.2
78.92567	0.2
79.05472	0.3
83.01331	0.4
83.04960	0.7
84.08112	0.2
89.03911	0.2
93.03385	0.7
95.04952	0.7
97.02878	0.6
98.21438	0.3
101.97662	0.2
103.05436	0.3
105.03396	0.4
107.04944	0.7
109.02859	0.5
111.04432	3.6
115.05402	0.2
117.03381	0.2
119.04935	0.5
121.02828	0.3
123.04420	12.6
125.02389	0.2
127.03889	0.4
129.07002	0.2
131.04913	0.6
133.02811	0.4
133.06519	0.2
135.04402	8.9
137.02284	0.4
139.03888	100.0
140.04216	0.6
141.06938	0.2
143.04831	0.2
145.06491	0.5
147.04382	2.0
149.06001	0.3
150.03125	0.2
151.03891	7.7
152.06229	0.2
153.06956	1.6
157.06464	0.5
159.04385	0.8
161.05968	0.7
163.03899	9.6
164.04305	0.2
165.05489	1.5
165.06773	0.3
167.04868	0.3
169.06448	0.7
171.04414	0.2
171.08035	0.2
171.31451	0.2
173.06015	0.7
175.03947	0.8
177.01790	0.1
177.05476	0.6
179.03377	4.1
181.05003	0.3
181.06456	1.7
183.04434	0.2
185.05936	1.0
187.03873	1.3
187.07529	0.4
189.05466	1.7
191.03450	0.2
193.04956	0.2
195.04353	0.3
197.06007	0.9
199.03903	0.3
199.07556	0.6
201.05394	0.9
203.03345	0.8
203.07133	0.3
205.04941	0.2
207.06548	0.6
209.05920	1.0
211.04031	0.2
213.05440	1.8
215.03325	0.9
215.06931	0.5
217.04953	0.9
225.05534	0.2
227.03375	0.2
227.06958	1.3
229.04958	2.0
231.06596	0.5
237.05469	1.1
241.04927	1.3
243.06529	0.2
245.04448	2.2
247.06096	0.2
253.05139	0.2
255.06496	4.2
257.04459	0.9
259.05905	1.1
265.04984	0.3
269.04419	1.1
271.05994	1.1
273.07480	1.3
283.05975	14.0
287.05490	2.6
289.06970	1.3
291.08612	4.5
299.05453	1.6
301.07047	12.9
301.10730	0.2
303.08728	1.3
311.05493	0.6
411.11099	0.3
421.09131	3.3
433.09155	0.3
439.10349	1.5
501.23044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50357	2.4
53.03941	4.0
55.01860	3.5
55.05505	15.6
55.32912	2.5
57.03425	8.1
57.07067	38.1
67.05491	34.9
69.07069	14.9
71.03075	3.7
71.03416	5.2
71.08623	23.0
78.25341	2.5
78.39890	2.2
79.05479	29.4
81.06592	3.7
81.07048	46.5
83.08607	14.8
85.06512	2.2
85.10164	15.3
91.05471	31.9
93.07030	35.2
95.04958	2.5
95.08597	41.4
97.06515	3.3
97.10153	7.2
105.07014	49.5
107.08575	20.6
109.10151	19.9
117.07004	8.5
119.08556	32.3
121.10125	17.2
123.11737	2.9
129.07022	4.6
131.07712	2.4
131.08553	16.6
133.10106	25.7
135.11713	15.2
137.05965	9.4
140.30005	2.5
143.08536	7.3
145.10103	16.9
147.11682	39.5
149.13245	7.8
157.10092	7.4
159.11705	18.9
161.13240	32.6
163.14813	2.9
171.11661	10.1
173.13264	10.5
175.14841	14.1
185.13245	9.6
187.14818	5.3
199.14838	4.7
215.18071	2.8
217.19461	3.9
231.17464	3.9
231.21045	7.2
239.23665	8.9
241.19508	38.4
259.20547	94.0
275.19955	3.6
277.17932	7.4
277.21515	8.4
302.77051	2.9
313.27328	100.0
315.23117	9.0
333.24176	49.4
351.25140	3.4
571.47180	8.3
589.48199	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	586.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27852	2.3
69.31746	6.2
69.32162	17.5
72.04506	5.8
85.02937	2.3
85.06540	2.9
90.05550	39.8
95.04980	2.2
98.02415	4.0
98.62211	2.0
100.70216	2.0
116.03483	5.5
118.06531	7.8
123.11185	2.2
124.07566	4.8
128.47688	1.9
142.08566	4.1
143.07326	2.3
144.08051	4.9
145.25124	2.2
146.05994	14.3
179.24637	2.4
181.04893	2.7
184.09654	8.1
188.07047	17.5
189.07442	2.4
202.10724	12.3
205.09727	6.7
220.11777	100.0
227.08078	2.9
234.09007	2.2
411.13513	2.6
524.09015	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	588.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05495	1.4
56.05020	0.5
57.03445	0.6
58.06583	0.5
59.04976	0.5
60.02084	0.4
60.07891	0.5
60.08158	5.8
65.33249	0.3
67.05496	4.0
69.07057	0.4
71.07373	2.3
71.52846	0.7
79.05488	0.7
81.03390	0.4
81.07027	1.1
83.08613	0.8
85.84851	0.4
86.09699	29.7
91.05460	0.5
93.07025	0.6
95.08562	0.4
97.10155	1.7
98.98460	3.5
104.10741	3.1
105.06975	0.5
107.08560	0.7
108.34997	0.4
109.10145	3.5
124.99993	21.0
125.09614	1.3
143.01096	0.5
173.11752	0.8
184.07326	100.0
185.07640	0.6
189.11137	1.1
226.35738	0.4
227.12720	2.4
258.11075	0.4
341.09964	0.4
381.22665	1.4
383.24210	1.8
399.23721	3.8
418.51001	0.4
553.33350	1.6
570.35712	1.0
588.36273	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	588.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05032	0.5
58.06615	0.5
60.08157	6.5
65.30640	0.2
67.05492	0.5
71.07362	3.1
71.53223	0.3
79.05492	0.3
81.07053	0.8
86.09694	30.8
91.05476	0.5
92.05240	0.2
93.07027	0.3
95.04920	0.3
95.08630	0.3
97.86556	0.2
98.97853	0.4
98.98450	3.1
104.10725	3.1
105.07014	0.3
107.08543	0.4
120.43581	0.2
121.10136	0.2
124.99986	21.9
131.08551	0.2
133.10051	0.3
143.01019	0.3
158.88031	0.2
184.07315	100.0
185.07701	0.2
191.66658	0.2
195.72044	0.2
292.45285	0.3
293.44907	0.2
354.84540	0.2
570.35687	1.1
588.36652	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	589.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59748	1.0
57.05270	0.7
61.02951	0.7
63.48785	0.8
64.35660	0.8
67.05509	1.5
69.03419	1.8
69.07062	19.4
69.79884	4.3
70.06590	2.3
71.04977	0.7
72.08137	0.7
79.05500	4.1
81.03374	1.2
84.04495	1.1
85.02899	2.5
86.09689	2.0
91.05479	1.1
95.04948	1.9
96.45745	0.9
97.02882	1.3
107.04942	10.3
109.02863	1.0
119.04931	1.6
121.02859	1.5
123.04425	2.2
127.03849	1.5
133.02800	0.9
134.03616	1.3
135.04401	10.2
139.03868	3.8
147.04399	1.4
151.03886	1.9
153.05417	2.6
163.03891	52.0
163.11232	1.7
167.03429	1.0
172.24364	0.8
177.05461	3.3
179.03415	4.2
181.04903	2.3
191.03371	17.0
191.10632	2.1
193.04904	4.3
197.04283	1.0
205.04927	1.8
209.04439	36.4
219.10123	10.4
247.05873	1.0
247.09665	15.6
265.10693	100.0
266.11041	1.2
299.09177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.5
55.05513	7.0
55.05734	1.3
55.28654	1.3
57.07068	14.0
65.03959	1.1
65.87128	1.3
67.05499	11.2
69.07058	6.6
71.08622	10.5
71.27032	2.6
79.05484	7.2
81.07048	36.5
83.04980	2.6
83.08620	4.5
85.10160	3.9
91.05477	3.4
93.07040	4.0
95.08596	13.7
97.10154	1.8
105.07020	3.7
107.08574	5.0
109.06525	10.3
109.10145	6.8
111.04431	13.3
119.08575	4.3
121.10136	6.3
123.08048	2.1
123.11695	3.3
125.05994	4.4
133.10123	3.9
135.08064	2.5
135.11668	2.9
137.05965	100.0
137.13232	3.8
145.10080	1.5
147.11658	7.4
149.09593	4.9
150.75403	1.3
151.07501	2.8
151.11211	2.4
159.11707	1.6
161.09599	6.4
161.13246	3.0
163.11183	3.8
165.09114	3.5
171.11682	1.4
175.11153	6.6
179.10689	1.6
179.14285	1.5
191.80251	1.2
193.12163	1.4
203.18002	7.2
213.16353	3.2
221.18893	2.4
221.63173	1.2
231.17387	8.6
249.18448	12.0
277.14935	3.2
277.17975	65.4
295.19016	20.9
362.44638	1.4
394.84946	1.3
484.41824	1.2
589.44403	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.96696	2.0
55.01862	2.6
55.05510	15.0
55.40282	2.2
57.03438	4.1
57.07058	10.3
61.96188	2.3
65.03918	3.1
67.05499	28.6
69.03409	3.2
69.07063	19.2
71.04984	2.8
79.05488	25.4
81.07052	50.7
83.04967	5.4
83.08598	5.8
85.06499	3.3
91.05473	39.8
93.07032	62.0
95.04957	17.3
95.08599	42.4
97.06532	5.3
97.10162	2.9
98.20735	5.4
103.05467	3.4
105.07029	77.1
107.08579	49.6
109.06499	27.4
109.10138	33.3
111.08058	2.9
115.05433	4.8
117.07004	23.9
119.08570	100.0
120.09312	3.8
121.06482	2.6
121.10126	55.1
123.08048	11.1
123.11692	9.9
125.09656	3.5
128.06213	10.7
129.07019	16.6
130.07835	6.2
131.08553	41.4
132.09308	2.5
133.09143	3.7
133.10115	58.7
135.08067	12.9
135.11696	30.9
137.09602	12.8
141.06937	8.6
142.07759	15.7
143.08553	29.4
144.09364	12.2
145.10114	83.6
146.10771	2.2
147.08055	5.0
147.11685	26.9
149.09583	4.5
149.13243	4.7
151.11188	3.1
153.07014	2.4
153.19008	2.2
154.07755	3.5
155.08556	13.8
156.09346	9.6
157.10121	48.0
158.10867	7.8
159.08058	3.1
159.10446	4.7
159.11678	43.0
161.09618	5.2
161.13298	18.6
163.11180	4.3
164.51350	2.5
165.07002	2.7
165.09048	3.4
167.08556	7.2
167.10571	13.9
168.09273	2.7
169.10149	23.4
170.10893	8.4
171.11668	26.2
172.12398	3.4
173.13258	25.9
175.11191	5.8
175.14783	20.4
179.08513	6.4
181.10066	13.0
182.10858	6.6
183.11670	22.0
185.13211	12.2
187.14772	12.4
189.12801	2.3
189.16415	3.1
191.14160	11.7
193.10095	9.5
194.10825	3.6
195.11664	15.0
196.12436	6.4
197.13272	17.4
199.14792	8.3
201.16344	11.2
203.14346	9.2
206.10748	2.4
207.11653	6.2
209.13242	14.8
209.15044	5.8
211.14766	14.0
213.16342	7.0
214.06639	2.6
215.14232	4.1
219.11671	3.2
219.17503	3.3
221.13229	7.9
221.15303	4.2
223.14792	15.3
225.16397	8.5
226.17203	2.6
233.13335	3.8
235.14693	5.7
237.16280	5.5
241.19460	3.4
245.13304	2.9
253.19531	3.2
257.19043	3.1
259.14874	3.2
261.16324	2.7
263.17883	2.7
265.19528	4.0
267.21039	3.8
271.20447	2.9
275.17767	3.1
283.20581	3.5
289.19516	5.1
345.25757	3.5
349.25180	4.2
361.25174	4.7
363.26730	8.2
364.27542	11.9
372.27301	2.7
567.41620	12.4
585.43085	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	585.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06681	10.1
55.05499	21.7
57.07076	18.8
60.10482	10.0
67.05487	50.8
69.07061	32.0
71.08621	13.0
79.05490	55.1
81.07040	51.5
83.08603	24.1
89.06039	17.3
89.43308	10.9
91.05482	54.3
93.07026	69.5
95.04935	14.7
95.08611	61.2
105.07027	79.8
107.08583	57.1
109.10123	41.3
117.07006	21.7
119.08582	100.0
121.10134	55.4
124.29417	12.9
129.06970	22.7
131.08546	48.4
133.10100	44.4
135.11629	34.4
142.07756	12.4
143.08556	34.0
145.10078	53.5
149.09540	20.8
157.10114	39.7
159.11702	43.5
163.11227	13.6
165.09184	14.0
169.10094	21.1
171.11649	17.6
175.11057	10.9
175.14760	20.3
181.10155	16.3
183.11676	12.5
185.13179	14.3
210.13800	12.7
217.93121	13.0
221.15381	34.4
222.64812	14.1
225.73175	10.8
231.29997	11.2
275.20319	11.4
409.57831	11.9
585.43738	69.6
585.56116	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	585.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.6
55.05480	20.6
57.07057	8.4
67.05497	30.8
69.03408	5.6
69.07056	28.2
69.45152	4.8
79.05478	29.0
81.07045	44.4
83.08564	5.5
85.06506	5.3
91.05459	52.8
93.06581	6.3
93.07040	70.8
95.04925	18.4
95.08587	54.5
96.33863	5.3
97.06479	5.6
98.20760	8.9
105.07015	60.8
107.08580	66.6
109.06495	12.8
109.10125	30.4
115.05458	9.3
117.07020	13.2
119.08573	100.0
121.06486	8.2
121.10133	56.7
123.08052	6.4
123.11700	9.6
128.06169	9.7
129.06967	13.0
130.07713	7.6
131.08540	33.6
133.10107	75.2
135.08012	13.1
135.11679	44.6
137.09598	11.8
139.11127	6.3
142.07745	15.1
143.08537	27.0
144.09274	9.1
145.10104	66.8
147.11688	29.4
148.51537	5.4
149.09599	17.5
155.08521	11.1
156.09343	13.2
157.10118	44.3
158.10777	10.0
159.07986	7.8
159.11662	39.0
161.09589	8.4
161.13197	5.7
167.08479	6.1
169.10118	17.9
171.11554	25.8
173.13211	35.8
175.14757	48.5
179.08559	9.8
181.10020	13.8
183.11673	24.1
185.13202	15.2
187.14819	19.3
191.14243	6.4
193.10045	10.6
195.11641	8.0
197.13203	20.7
199.14827	13.0
201.16341	13.3
207.11661	13.8
209.13237	21.5
211.14763	15.0
213.16328	8.9
220.12360	6.1
221.13202	11.4
223.14691	11.0
225.12654	6.4
225.16440	8.4
235.14778	11.6
247.14961	6.0
259.14941	6.3
263.17966	6.2
267.21124	7.9
285.11755	5.0
285.21997	6.6
361.25052	10.0
549.41205	9.2
567.41895	22.6
585.42273	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.43
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63356	3.4
53.03918	7.4
55.05497	17.2
57.07050	10.7
57.13917	3.4
58.86213	3.1
60.39449	3.0
65.03911	3.4
67.05494	33.1
69.03426	6.4
69.07061	21.1
69.93539	5.0
69.93967	13.9
70.42816	2.9
71.04990	5.3
78.21217	3.1
79.05484	27.6
81.07049	53.6
83.04974	7.1
83.08602	11.2
91.05469	49.3
92.06223	3.1
92.35705	2.8
93.07033	61.0
95.04957	14.2
95.08588	47.7
97.06511	8.0
97.10151	3.6
105.04501	4.3
105.07018	92.4
107.04936	5.5
107.08588	58.7
109.06501	35.7
109.10146	37.9
111.08086	4.4
117.07003	25.9
119.08569	100.0
121.06503	3.5
121.09331	6.3
121.10123	60.0
123.08038	11.7
123.11682	11.7
124.28651	3.4
125.09612	3.7
128.06221	7.0
129.06961	14.1
130.07759	13.6
131.08557	52.5
133.06447	3.6
133.10120	84.0
135.08022	13.2
135.11671	31.4
137.09576	10.1
139.11169	3.1
141.06952	13.1
142.07777	19.4
143.08554	34.5
144.09282	11.1
145.10100	93.4
146.10847	4.9
147.08022	5.3
147.11676	35.3
149.09569	7.5
149.13254	7.6
155.08524	15.3
156.09315	10.4
157.10120	47.9
158.10870	10.0
159.08148	3.5
159.11661	44.5
160.85841	3.4
161.09584	7.6
161.13255	25.9
163.11169	6.3
167.08571	4.9
167.10640	13.4
169.10132	30.3
170.10880	9.4
171.11639	30.9
173.09552	5.3
173.13206	25.2
175.11172	4.8
175.14830	21.6
177.12590	5.1
179.08485	11.1
180.09302	4.5
181.10092	11.4
182.10870	9.4
183.11690	23.5
184.12373	4.3
185.13226	14.6
187.11089	4.0
187.14824	15.8
191.14233	11.3
193.10065	10.3
194.10826	4.8
195.11633	14.9
196.12405	3.6
197.13206	20.1
198.14056	4.0
199.14839	7.3
201.16374	14.6
203.14272	15.1
206.10828	3.6
207.11665	9.7
209.13231	15.1
209.15268	7.8
210.13977	4.2
211.14758	10.4
213.16344	5.5
215.14328	6.9
217.15935	3.5
218.63232	3.2
219.11797	5.4
219.17424	6.0
221.13121	10.1
221.15254	6.7
223.14735	12.2
225.16370	12.5
226.17326	3.5
227.17818	3.8
233.15443	5.0
234.14084	3.2
235.14819	6.2
237.16318	8.2
239.17891	3.6
247.14714	4.0
249.16325	6.5
253.19478	4.6
265.19534	6.7
271.20474	4.7
275.17975	5.7
277.19656	4.5
279.17560	4.9
293.18759	3.8
300.28717	4.3
345.25458	4.4
349.25159	5.1
363.26706	10.6
364.27475	11.6
384.79315	3.7
445.30499	4.6
533.96582	3.6
549.40588	3.7
567.41669	19.1
568.41968	4.1
585.43036	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74461	2.2
56.96558	20.3
65.06158	2.0
69.03407	2.4
69.19574	13.8
69.20003	6.3
75.18649	2.0
81.03407	3.3
83.79978	1.8
84.96030	4.7
85.02908	8.3
87.75272	2.0
89.03908	2.5
97.02859	5.9
98.21465	4.0
98.86971	1.9
98.97565	24.9
101.00888	11.2
106.85097	1.6
110.97509	3.9
116.98602	15.7
119.01906	43.9
127.02383	3.8
127.03889	5.0
128.98590	10.3
131.01901	17.2
134.99625	7.3
135.04332	2.6
136.99059	2.9
137.02005	2.0
137.02931	12.1
137.07834	1.9
143.00122	5.8
143.01884	34.7
145.03500	23.9
146.99619	8.7
147.01315	2.2
147.05020	3.4
149.02919	3.5
154.05832	2.0
155.00133	10.3
155.01857	17.3
157.03487	9.3
158.99640	8.9
159.05032	2.5
161.01228	6.5
161.02942	92.2
162.03191	3.8
163.03975	7.1
163.21053	2.2
167.01866	8.8
168.98022	3.8
169.03387	2.8
170.99632	7.7
171.01070	1.9
171.04959	14.5
173.01224	11.5
173.02927	37.4
173.06535	8.7
174.03062	2.5
175.04494	8.0
177.00671	9.6
179.01892	4.0
180.72003	1.8
180.98024	5.9
181.04918	4.4
182.99609	2.6
183.04993	3.2
184.04510	5.4
185.01363	1.6
185.02927	46.2
186.99155	13.2
187.04477	8.1
189.00702	12.2
189.06042	8.9
190.74422	1.9
191.02376	3.4
191.03990	24.9
191.07617	4.3
193.05621	3.6
197.02924	16.3
198.99135	8.5
199.04549	8.6
201.00685	20.2
201.06065	3.9
203.02307	1.4
203.04007	32.4
205.00145	5.3
205.01945	4.6
207.01744	2.0
213.06026	4.3
215.02235	2.9
215.03990	15.9
217.00136	6.3
217.02036	4.1
217.05551	17.6
219.01735	21.9
221.03172	3.3
221.04895	9.1
222.99167	4.0
227.03954	9.9
229.00150	7.8
229.05513	5.4
231.07074	3.7
233.05028	5.2
235.06575	6.8
237.02762	13.1
239.04175	2.5
241.00047	3.0
243.01712	5.4
243.03691	4.3
245.05061	100.0
246.05145	3.1
247.06625	3.0
249.72858	1.8
253.05632	2.1
257.05026	5.8
259.06610	22.4
261.02682	20.3
263.06122	30.6
271.01340	2.3
271.06622	6.5
273.02759	2.6
273.08102	2.0
275.06046	9.7
277.07684	13.1
279.00430	11.8
279.03824	10.2
281.07013	6.6
283.01224	3.0
284.06522	2.2
289.04309	2.7
289.07663	4.4
291.03772	4.9
293.07159	6.3
297.01425	2.4
301.02295	2.9
301.07709	4.1
303.00327	8.4
303.05457	7.5
305.07224	9.1
307.05051	9.3
313.02252	3.2
319.08655	13.7
321.01175	12.3
321.04938	11.5
331.03479	4.8
333.01337	2.7
333.05777	3.1
335.08200	8.3
337.09814	3.6
351.02231	4.4
351.06134	2.1
361.09631	3.1
363.07639	8.1
365.09131	9.0
379.10727	9.4
381.07040	2.0
405.03342	6.6
405.08707	6.3
423.04370	10.3
423.09729	22.4
425.11371	7.0
455.06937	2.6
469.10486	19.0
481.13803	2.9
493.08392	8.1
499.14954	4.0
523.09149	3.3
541.15662	2.4
567.08246	3.3
585.09460	7.3
585.15637	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	584.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.1
58.92806	16.0
67.05482	23.6
70.12403	39.3
70.12766	85.7
70.30084	19.7
79.05466	32.2
81.07031	30.2
89.06007	26.8
91.05470	41.7
93.07042	41.4
95.04942	22.0
95.08587	36.1
105.06995	80.7
107.08582	36.1
109.10130	27.7
116.60954	18.0
119.08573	56.6
121.10065	19.9
127.79460	17.8
131.08508	46.6
133.10147	38.0
135.08020	24.1
143.08554	34.9
143.72794	22.4
145.10100	67.3
147.08038	34.1
147.11652	21.1
150.04636	19.1
157.10114	60.1
159.11674	32.3
165.09109	29.3
175.19867	23.7
183.11719	29.6
195.36349	22.3
203.14301	27.9
219.80591	22.5
221.15363	68.7
254.53490	19.6
311.28696	19.7
352.23837	74.9
396.72925	24.8
404.31635	28.1
422.33926	22.9
441.51715	25.3
504.35791	100.0
510.57639	21.1
584.41644	42.2
584.55878	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.05506	9.0
57.07072	17.6
59.04976	3.5
67.05497	24.8
69.03415	9.6
69.07063	17.6
69.57798	11.5
69.58216	9.7
70.06568	3.1
79.05492	28.7
81.07034	32.5
83.04965	8.6
83.08601	8.0
85.06516	5.9
89.06011	9.9
91.05470	47.3
93.07034	49.0
95.04961	13.3
95.08590	40.0
96.08926	3.4
96.83106	3.3
97.06528	5.0
98.21484	7.3
103.05511	4.2
105.07023	72.8
107.08584	39.9
109.06509	8.8
109.10131	20.6
111.08054	4.3
115.05447	6.1
117.06998	19.4
117.15420	3.2
117.77397	3.1
119.07716	4.1
119.08567	84.1
121.06507	9.3
121.10121	31.9
123.08075	15.7
123.11677	5.1
125.05969	4.6
128.06194	11.2
129.07002	19.1
130.07732	8.7
131.08560	47.2
133.08569	8.7
133.10106	40.0
135.08000	15.5
135.11691	18.3
137.05969	3.4
137.09589	10.8
139.07599	3.4
139.33765	3.1
141.06935	7.7
142.07759	25.3
143.08566	40.4
144.09270	12.5
145.06509	3.6
145.10103	68.0
146.10483	4.7
147.08023	15.0
147.11652	19.8
149.09593	6.2
151.07492	8.2
151.11208	3.1
153.09000	3.0
155.08562	16.6
156.09352	16.2
157.10115	54.8
158.10880	9.3
159.08041	5.3
159.11685	38.7
161.09615	10.6
161.13261	11.2
163.11172	12.2
165.09131	23.5
167.08578	7.7
168.09309	5.2
169.10088	23.1
170.10875	8.7
171.11673	43.2
172.12425	6.0
173.13255	23.3
175.11203	12.6
175.14845	14.5
177.11243	4.2
177.12694	7.3
179.08488	8.9
181.10094	12.4
181.12233	6.0
182.10951	9.3
183.11681	28.0
185.09627	3.8
185.13249	25.1
186.13693	3.6
187.11200	4.5
187.14778	9.9
189.12759	7.9
190.13461	5.8
191.14363	4.3
193.10141	9.6
193.12244	5.5
194.10924	6.9
195.11639	16.6
196.12462	11.8
197.13200	22.7
198.00952	3.0
199.11160	4.7
199.14740	7.4
201.12756	8.7
201.16280	5.3
203.14316	23.5
206.00012	3.7
206.10822	5.9
207.11693	9.6
207.13763	9.4
208.12447	7.5
208.14493	4.4
209.13281	16.2
210.13875	3.7
211.11151	5.2
211.14813	17.1
213.12794	4.0
221.13248	10.5
221.15315	59.8
222.13913	5.3
223.11174	3.3
223.14787	16.7
225.12733	4.8
225.16338	4.4
229.12270	5.1
229.15828	4.4
233.13266	6.7
234.16124	11.4
235.14787	8.9
237.12762	5.0
237.16377	5.5
247.14708	4.1
247.16980	8.8
249.16339	3.7
251.18050	3.7
263.17886	4.2
271.17117	5.0
271.20282	4.1
279.17484	4.4
281.18921	4.6
291.20880	4.0
296.21411	3.9
298.19327	3.7
299.20096	12.3
300.29138	5.8
311.20242	4.6
325.21683	10.6
337.21564	8.5
352.23880	70.9
365.24817	14.4
398.28140	6.5
404.30640	6.6
412.29678	14.1
438.31262	13.3
489.33704	7.3
491.35077	8.8
492.35815	7.4
504.35919	100.0
584.41876	30.4
584.56165	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
53.51948	4.5
55.05495	20.8
57.07060	11.2
65.03886	5.5
67.05489	32.0
68.75032	4.8
69.03422	9.6
69.07061	23.4
69.58702	37.0
79.05475	37.7
81.07053	42.3
83.04964	9.0
83.08614	13.8
85.06531	10.2
91.05466	62.4
93.07024	72.0
95.04939	16.9
95.08595	44.0
99.26331	7.3
103.05446	6.7
104.03222	6.2
105.07020	95.4
107.08572	60.6
109.05775	4.4
109.06512	9.9
109.10135	31.1
115.05450	6.4
117.07027	25.4
119.08569	100.0
119.09386	9.9
121.06481	5.9
121.10122	57.6
123.08054	15.6
125.47124	5.7
128.06177	15.2
129.06999	19.5
130.07794	5.4
131.08560	44.6
132.92793	4.6
133.10097	43.7
135.08054	10.0
135.11656	17.6
137.09602	12.7
141.07022	8.9
141.66985	4.9
142.07780	46.2
143.08556	56.1
144.09276	8.1
145.10101	59.6
147.08023	16.9
147.11664	20.9
149.09573	6.4
149.13185	5.0
151.07523	14.0
155.08542	17.2
156.09328	25.0
157.10117	62.6
158.10915	14.2
159.07990	7.9
159.11650	29.7
161.09625	6.7
161.13199	10.2
163.11087	5.6
165.06982	8.6
165.09067	29.4
166.07764	6.3
167.08539	13.2
167.10707	17.0
168.09305	15.4
169.10127	39.2
170.10858	14.1
171.11673	39.7
173.13248	29.6
175.11180	6.3
175.14780	7.1
179.08556	12.4
180.09305	6.1
181.10091	23.1
182.10927	11.5
182.24625	5.1
183.11678	34.9
184.12515	10.7
185.13184	29.9
187.11221	6.9
187.14778	9.1
189.12767	6.9
191.14209	7.8
192.09291	7.4
193.10094	20.1
194.10924	16.6
195.11705	23.0
196.12396	8.8
197.13191	24.9
199.14813	18.6
203.14281	15.3
206.10944	12.4
207.11665	25.7
208.12468	10.4
209.13211	32.2
211.14859	11.9
219.11636	13.7
220.12379	8.7
221.13232	19.5
221.15370	63.8
223.14746	22.5
225.16360	6.2
227.14140	6.1
231.11700	10.4
233.13231	12.3
233.15289	6.8
235.14761	20.9
237.16281	13.4
239.17912	9.0
245.13246	9.4
246.14043	7.7
247.14676	13.0
247.16975	6.2
249.16394	7.1
251.17871	6.3
261.16327	9.8
263.18021	6.7
265.19525	13.5
275.17856	9.3
277.19342	6.1
283.20483	19.4
289.19510	10.1
349.24991	7.7
359.23450	6.7
375.27026	7.4
387.70773	5.4
555.43988	5.0
565.40167	17.1
583.41388	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
52.80884	0.7
53.03929	2.4
55.01846	1.0
55.05499	6.1
57.07065	4.8
59.04978	2.1
65.03925	1.7
66.25914	0.6
67.05492	13.1
69.03416	3.4
69.07063	5.3
70.88297	2.0
79.05485	10.2
81.07042	12.3
83.04958	2.2
83.08577	3.6
85.06535	2.6
91.05477	15.5
93.07038	21.5
95.04970	5.3
95.08598	21.6
97.06514	2.1
97.10128	1.3
99.08115	0.8
103.05421	1.5
105.07019	27.8
107.04948	3.6
107.08588	16.1
109.05822	1.0
109.06480	4.0
109.10155	7.8
111.08092	1.1
115.05428	1.3
117.06996	5.2
117.07813	1.0
119.08570	27.2
121.06482	3.4
121.10131	20.2
122.07258	1.1
123.08052	14.5
123.11673	3.0
125.06011	1.1
128.06204	2.1
129.07011	4.3
130.07785	3.0
131.08545	10.7
133.06477	2.2
133.10123	14.9
135.08040	6.9
135.11661	4.1
137.09607	7.2
139.11259	0.9
141.07022	2.4
142.07755	6.8
143.08542	15.4
144.09332	2.8
145.10110	17.6
145.11282	0.8
147.08031	13.7
147.11658	6.0
149.09619	2.8
149.13266	1.1
151.07535	19.1
151.08675	1.4
151.11092	1.0
152.06190	0.7
153.06993	1.3
154.07765	1.4
155.08539	5.6
156.09377	6.1
157.10117	22.8
158.10838	1.4
159.08012	1.8
159.11674	10.6
161.09621	2.8
161.13214	4.5
163.11163	3.2
165.06950	2.0
165.09096	30.1
167.08643	3.4
167.10670	1.1
168.09349	1.6
169.10098	9.2
169.11406	1.0
170.10909	4.3
171.11670	15.5
172.12457	1.1
173.09605	2.1
173.13228	6.7
175.11192	2.0
175.14836	2.5
177.12752	1.2
179.08589	4.1
180.09331	2.2
181.10136	4.2
181.12247	1.8
182.10858	4.1
183.11687	10.4
184.12431	1.6
185.09634	0.8
185.13234	10.2
186.13866	1.0
187.14793	2.4
189.12682	5.3
191.14301	1.4
192.09392	1.7
193.10136	5.2
194.10910	4.2
195.11665	8.0
196.12428	2.1
197.09608	0.7
197.13216	11.7
198.14090	1.2
199.11198	0.9
199.14821	2.6
201.12643	0.8
201.16374	0.8
203.14313	13.6
205.10175	1.1
206.10960	3.0
207.11679	6.7
207.13824	7.1
208.12515	2.6
209.13266	10.4
209.15169	1.5
210.14011	1.3
211.11307	0.8
211.14821	4.5
213.12834	1.3
213.16324	2.2
215.14293	1.5
217.10187	0.9
218.10905	1.1
219.11696	3.3
220.12535	2.2
221.13268	5.5
221.15323	59.7
222.13919	1.5
222.15868	1.1
223.14807	7.5
224.15619	1.4
225.16458	1.7
227.14413	1.6
227.17999	1.0
229.15785	0.9
231.11635	2.0
231.17465	2.3
232.12500	1.4
233.13243	2.8
233.15332	1.1
234.13985	1.9
235.14767	4.8
236.15492	1.1
237.16411	2.5
238.16811	0.9
239.17863	1.7
241.15669	0.9
244.12569	1.0
245.13246	2.4
246.14076	1.6
247.14815	3.1
247.17067	1.6
248.15404	1.5
249.16330	3.9
251.17987	2.6
253.19540	2.4
255.17453	1.5
257.13306	1.2
257.19077	1.3
258.13901	0.8
259.14877	2.0
260.15564	0.8
261.16321	2.1
262.17212	1.6
263.17941	2.7
265.16599	0.7
265.19571	2.8
269.18958	2.0
271.14676	1.0
271.20660	2.4
273.16476	2.0
274.17133	1.1
275.17981	2.7
277.19598	1.6
279.20975	3.4
281.19012	1.5
283.20627	3.9
286.19290	1.4
287.20203	2.0
289.19516	1.7
293.18851	1.0
295.20410	4.4
297.22043	5.6
299.20273	1.4
301.19321	1.2
303.21161	1.0
305.17407	2.0
309.22241	1.2
315.21222	1.0
317.22641	1.1
325.21844	0.9
329.22638	1.3
331.24225	1.6
347.23691	1.7
348.24277	1.1
349.25336	3.2
352.23950	2.4
357.25714	2.9
365.24741	2.7
366.25186	0.8
375.26868	6.4
385.29117	2.1
403.29922	9.1
491.34732	0.9
503.35364	4.8
507.35272	0.9
509.34088	2.8
547.39252	2.9
565.40332	32.2
566.40643	1.9
583.41376	100.0
584.42157	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24585	1.8
54.62952	2.0
55.05505	14.1
57.07071	14.4
59.04018	1.9
59.04992	3.5
65.03934	5.3
67.05498	25.2
69.03426	9.2
69.07056	19.8
69.20494	24.4
79.05492	26.5
81.07050	32.3
83.04967	8.9
83.08609	8.4
85.06535	4.8
91.05470	49.7
93.07030	59.2
95.04935	13.8
95.08601	38.8
97.06533	6.5
97.10095	2.2
98.21551	4.6
102.93285	2.0
105.07026	82.6
107.04935	2.1
107.08580	51.2
109.06494	9.8
109.10162	23.9
111.08099	4.2
113.38071	2.3
115.05421	3.8
117.06998	18.1
119.08571	77.8
121.06493	6.7
121.10135	43.6
123.08072	18.7
123.11687	8.0
125.05956	4.7
128.06203	14.5
129.06964	15.3
130.07788	8.6
131.08556	37.8
132.09348	3.6
133.10117	44.9
135.08047	11.6
135.11682	15.0
137.09570	12.0
139.11154	3.3
141.06972	9.3
142.07758	29.3
143.08542	49.3
144.09323	8.1
145.10106	60.1
147.08061	17.6
147.11676	21.0
149.09618	8.1
149.13307	2.8
151.07565	17.1
153.06981	6.2
154.07750	3.9
155.08521	22.9
156.09338	19.8
157.10112	67.9
158.10886	11.0
159.08064	5.9
159.11697	32.2
161.09593	4.7
161.13271	7.6
163.11145	10.5
165.06972	7.1
165.09105	32.2
166.07733	3.7
167.08559	14.4
167.10663	14.5
168.09305	7.5
169.10115	30.7
170.10855	10.3
171.11652	34.0
172.12442	2.4
173.09615	3.7
173.13246	31.7
175.11124	3.5
175.14833	8.8
178.07825	5.2
179.08517	16.9
180.09303	9.4
181.10106	18.7
181.12212	8.2
182.10852	10.6
183.11679	31.4
184.12447	7.0
185.13255	22.6
187.11124	3.4
187.14754	10.3
189.12749	7.3
189.16499	2.6
191.14349	12.0
192.09375	7.6
193.10124	16.4
194.10930	13.2
195.11697	27.1
196.12486	8.5
197.09546	2.8
197.13245	22.1
198.14124	2.3
199.11229	2.6
199.14784	20.4
201.16409	3.0
203.14275	12.4
204.09250	2.9
205.10077	6.5
206.10948	8.1
207.11711	20.5
207.13818	6.6
208.12509	9.4
209.13274	35.9
209.15187	2.4
210.14136	3.7
211.14713	13.5
212.15536	2.2
213.12831	2.9
213.16486	5.7
215.14407	3.6
217.10130	4.8
217.15839	11.4
218.10863	3.3
219.11755	8.8
220.12485	8.2
221.13257	17.5
221.15399	64.8
222.13950	5.7
223.14749	18.9
224.15628	5.8
225.16368	7.9
227.14243	4.4
231.11667	4.9
231.17462	3.2
232.12488	6.2
233.13243	12.8
233.15425	8.8
234.14020	3.6
235.14822	15.6
236.15582	3.5
237.16365	9.1
239.14259	2.3
239.18037	3.5
243.11592	3.1
243.17216	2.6
244.12436	3.3
245.13228	12.5
246.14015	6.8
247.14693	16.4
247.16920	2.2
248.15651	5.1
249.16348	13.9
251.17969	8.0
257.13254	4.0
257.19000	8.9
259.14789	6.0
260.15628	5.9
261.16296	12.2
263.17978	7.7
265.19489	10.3
269.19070	5.1
271.20670	3.0
273.16287	5.0
275.17926	13.5
277.19641	5.1
279.17532	3.4
279.21039	3.2
281.18991	4.2
283.20517	19.9
289.19565	5.2
291.20978	2.6
295.20355	4.0
297.22189	4.9
300.20981	3.9
315.20938	3.1
317.22754	2.5
329.22754	3.1
331.24271	6.5
347.23798	3.3
349.25308	9.2
361.25186	2.7
375.26703	5.1
403.29752	5.2
491.35226	8.1
503.35162	4.0
565.40375	24.1
583.41400	100.0
602.81934	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03937	5.8
55.05507	17.1
57.07080	15.9
59.04993	5.0
65.03934	3.9
67.05499	30.3
69.03429	11.4
69.07066	21.6
69.27874	1.9
69.28278	12.7
69.71460	1.2
71.04945	1.5
71.88135	1.4
77.03895	3.0
79.05488	33.1
81.03398	3.0
81.07048	38.0
83.04978	8.0
83.08609	9.2
85.06525	8.5
85.36481	1.7
87.04506	1.7
91.05469	54.6
91.06022	3.2
93.07035	65.0
95.04958	12.9
95.08595	40.1
95.09174	2.7
97.06554	7.1
97.10159	1.5
98.21531	2.9
103.05465	4.9
105.04513	2.3
105.07022	91.0
106.07860	1.7
107.04937	2.4
107.08581	56.3
109.06525	14.2
109.10133	23.5
111.08093	3.1
114.73022	1.4
115.05470	6.0
116.06246	3.2
117.07030	19.4
119.08573	97.7
121.06495	8.0
121.10130	53.1
121.11020	1.7
122.07262	1.9
123.08061	19.7
123.11713	6.0
125.05975	3.4
125.09626	2.9
128.06218	14.7
129.07013	21.0
130.07799	9.8
131.08554	42.8
133.06500	4.2
133.10124	47.8
135.08047	13.8
135.11693	14.3
137.09605	14.6
139.11148	2.3
141.06979	10.0
142.07777	34.1
143.08549	51.8
144.09268	9.0
145.06479	2.4
145.10107	58.9
147.08040	23.2
147.11670	20.1
149.09596	9.6
149.13261	3.7
151.07535	21.2
151.11099	2.2
153.07022	7.0
154.07753	5.3
155.08542	23.8
156.09320	24.0
157.10117	65.7
158.10904	12.4
159.08069	4.8
159.11671	33.5
160.12546	1.7
161.09587	9.3
161.13257	10.5
163.11162	7.9
165.07036	10.6
165.09097	40.4
166.07741	4.0
167.08559	13.7
167.10654	13.1
168.09331	11.4
169.10103	37.4
170.10921	14.4
171.11687	37.9
172.12494	2.7
173.09676	3.6
173.13255	29.2
175.11191	4.8
175.14833	10.4
178.07814	2.8
179.08536	19.9
180.09315	9.6
181.10095	20.8
181.12233	6.2
182.10902	10.4
183.11667	32.2
184.12476	5.6
185.09799	2.0
185.13260	21.9
187.11189	3.5
187.14815	9.6
189.12758	9.0
191.08688	2.6
191.14314	10.6
192.09341	7.8
193.10123	20.5
194.10864	14.7
195.11659	26.8
196.12488	6.3
197.13252	25.0
198.13995	2.1
199.11235	2.9
199.14822	18.4
201.12784	3.3
201.16367	2.9
203.08775	3.3
203.14287	18.9
205.10132	8.5
206.10905	12.8
207.11694	23.3
207.13812	7.5
208.12479	9.3
209.13249	33.1
209.15085	2.2
210.14008	4.9
211.14784	12.2
212.15753	1.8
213.12807	3.8
213.16428	5.8
215.14308	2.7
216.09317	1.9
217.10034	7.8
217.15881	12.7
218.10938	5.4
219.11725	9.9
220.12505	8.8
221.13254	21.4
221.15404	62.5
222.14037	4.2
223.14803	17.0
224.15657	3.1
225.12840	2.5
225.16418	7.0
227.14352	4.3
229.10136	2.4
230.10931	4.0
231.11740	8.4
231.17377	3.6
232.12428	4.0
233.13281	13.7
233.15401	5.9
234.14078	5.9
235.14795	14.6
236.15680	3.4
237.16364	7.9
239.08696	1.6
239.14369	2.0
239.18025	4.6
243.11717	3.1
244.12347	2.8
245.13205	11.3
246.14085	6.4
247.14778	13.1
247.16913	2.7
248.15639	4.6
249.16399	8.9
250.17152	2.1
251.17926	8.6
255.17357	2.1
257.13251	3.8
257.18948	9.5
258.14081	4.5
259.14798	7.6
260.15677	5.4
261.16330	10.9
263.18005	7.0
265.19534	10.0
267.17441	2.3
269.19083	2.1
271.14896	2.8
271.20688	1.8
272.15689	2.6
273.16376	4.5
275.17892	13.3
277.19550	4.5
279.17688	2.3
279.21088	3.9
281.18887	2.6
283.20514	16.7
285.16119	2.9
287.20334	3.6
288.18713	1.7
289.19528	5.7
291.21109	2.4
295.20557	3.9
297.16315	1.7
297.22144	4.9
300.21024	3.4
301.19247	3.0
312.20786	2.0
315.17441	2.0
315.20889	2.7
317.22641	3.0
329.22681	3.1
331.24078	7.1
333.22388	2.8
335.23776	2.0
343.24365	2.4
349.25339	6.2
361.25159	1.9
365.24902	2.8
370.46893	1.9
375.26862	6.2
403.30118	7.5
425.28302	1.9
491.34891	5.2
503.35229	5.2
509.34216	2.1
547.39569	3.3
557.39178	1.6
565.40216	23.4
583.41406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.05504	14.3
55.79532	1.2
57.07069	11.9
59.04987	4.1
65.03935	2.0
67.05495	22.6
69.03445	6.2
69.07058	15.6
69.25302	8.7
69.25725	4.6
77.03923	1.7
79.05489	23.5
81.07050	26.0
83.04971	8.8
83.08604	7.7
85.06532	6.5
87.04442	1.3
88.30424	1.4
91.05473	38.6
93.07037	51.6
95.04959	10.4
95.08598	40.2
97.06517	5.7
103.05464	2.9
105.04517	2.2
105.07018	68.3
107.04955	2.1
107.08576	48.4
107.09308	2.3
109.06502	8.8
109.10143	18.8
111.08062	2.5
115.05482	6.0
116.06233	2.2
117.06992	19.9
119.08569	74.7
121.06495	4.5
121.10125	46.6
123.08052	19.4
123.11689	6.2
125.05969	3.2
125.09650	1.7
128.06200	10.5
129.06995	17.5
130.07774	7.0
131.08549	31.7
132.09363	1.6
133.06474	3.2
133.10110	34.5
135.08041	9.2
135.11682	11.5
137.06006	1.9
137.09608	11.6
139.07552	1.5
139.11145	3.2
141.06987	9.6
142.07771	25.8
143.08546	38.4
144.09328	5.9
145.06508	1.4
145.10106	48.6
147.08038	20.9
147.11690	15.3
149.09566	7.4
149.13255	3.8
151.07536	16.1
151.11116	2.3
153.07008	4.5
154.07767	3.4
155.08553	17.1
156.09309	19.5
157.10117	52.8
158.10899	9.6
159.08025	2.7
159.11670	29.5
161.09596	5.9
161.13252	9.2
163.11151	8.1
165.07040	7.6
165.09093	35.3
166.07750	3.9
167.08543	12.4
167.10629	10.5
168.09315	9.6
169.10110	29.1
170.10930	11.6
171.11667	30.1
173.09633	4.7
173.13240	25.8
175.11189	3.4
175.14772	8.3
177.12860	1.9
178.07750	2.3
179.08554	17.2
180.09352	7.2
181.10130	16.1
181.12180	6.7
182.09488	1.8
182.10800	8.2
183.11670	27.4
184.12413	7.6
185.09656	1.5
185.13216	24.0
187.11227	2.8
187.14754	6.2
189.12782	6.0
189.16315	1.9
191.08556	2.2
191.14273	9.5
192.09343	5.2
193.10106	16.0
194.10873	13.1
195.11673	23.5
196.12453	6.6
197.13234	21.7
198.14035	1.6
199.11092	1.6
199.14793	17.4
201.16354	2.5
203.08612	1.6
203.14272	17.7
204.09235	2.2
205.10219	3.3
206.10901	6.7
207.11684	21.7
207.13766	8.2
207.15489	1.5
208.12517	6.5
209.13240	31.1
209.15150	2.4
210.14041	3.1
211.11218	3.1
211.14809	11.9
213.12769	3.1
213.16359	5.2
215.08636	2.0
215.14368	2.7
216.09286	2.2
217.10094	2.9
217.15823	11.5
218.10901	3.5
219.11610	9.4
219.17361	1.4
220.12494	5.7
221.13252	16.3
221.15294	76.7
222.13991	4.9
223.14790	16.8
224.15636	2.7
225.12714	3.3
225.16379	5.6
227.14349	3.4
229.10147	2.4
229.15997	2.1
230.10927	2.4
231.11676	6.2
231.17514	2.1
232.12447	4.3
233.13248	10.0
233.15440	6.3
234.14046	5.8
235.14804	13.0
236.15569	3.5
237.12692	1.7
237.16269	8.1
239.14194	1.5
239.18027	5.7
241.15929	2.1
241.19658	1.4
243.11740	3.7
244.12442	2.5
245.13193	8.5
246.14015	5.1
247.14798	9.5
247.16962	2.9
248.15585	2.7
249.16327	11.1
250.17049	3.2
251.17961	5.6
253.15736	2.1
253.19553	2.3
256.12518	1.9
257.13235	2.7
257.18997	6.5
258.14136	1.8
259.14728	6.3
260.15613	4.8
261.16324	8.9
261.18579	1.5
262.17154	2.6
263.17914	7.1
265.19504	8.0
269.18973	4.2
271.14703	3.2
271.20657	1.7
272.15427	2.5
273.16293	6.5
274.17191	3.4
275.17853	14.5
277.16187	1.6
277.19556	4.3
279.20999	1.7
281.19104	3.5
283.20544	16.5
285.16217	2.1
286.19611	2.7
287.20032	4.7
288.18622	1.8
289.19543	5.4
291.21014	1.9
293.19006	2.4
295.20633	3.8
297.22250	5.0
299.17444	1.8
299.20367	2.3
300.20947	3.6
305.22589	1.9
307.20667	2.0
309.22174	2.7
312.20840	1.9
313.21924	2.2
315.21121	3.7
329.22858	1.6
331.24069	7.0
333.22110	1.4
335.23624	1.5
343.24362	1.8
344.97305	1.5
347.23761	2.2
349.25146	9.9
352.23828	2.6
357.25742	2.8
361.25208	2.0
365.24814	3.0
375.26935	9.9
403.30078	5.8
425.28928	1.4
443.68845	1.4
491.34653	6.2
503.35049	5.1
509.34152	1.9
547.39142	3.8
565.40472	24.0
583.41382	100.0
584.41467	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03933	5.9
55.05505	12.6
55.26280	1.3
57.03424	1.9
57.07068	10.9
59.04971	3.2
61.68264	1.2
65.03930	3.6
67.05493	20.4
69.03409	4.8
69.07059	14.5
71.04971	1.6
71.44936	2.2
79.05480	20.0
81.07038	28.6
83.04969	6.1
83.08617	7.8
85.06537	6.7
91.05472	34.9
93.06484	2.8
93.07034	43.8
95.04944	9.7
95.07991	2.0
95.08595	32.3
95.09184	2.9
97.06507	5.6
99.08109	1.4
103.05449	2.9
105.07018	59.6
107.04984	1.5
107.08584	40.4
109.06504	6.7
109.10147	17.7
111.08087	3.4
112.89358	1.4
113.09639	2.6
115.05460	3.8
116.06257	1.5
117.06999	9.3
119.08563	63.1
119.53432	1.5
121.06488	4.9
121.10129	44.8
123.08056	14.3
123.11707	7.7
125.06001	1.4
125.09633	3.4
128.06224	8.3
129.06982	12.4
130.07790	5.9
131.08551	26.7
133.06444	3.0
133.10117	34.2
135.08054	6.0
135.11679	11.1
137.09607	8.8
139.11200	2.6
141.06970	7.2
142.07758	18.7
143.08542	34.0
144.09352	7.8
145.10104	44.3
147.08049	9.5
147.11671	14.5
149.09613	7.4
149.13246	3.4
151.07520	13.5
151.11143	3.5
153.07010	4.2
154.07767	2.8
155.08516	13.5
156.09326	14.6
157.10110	46.0
158.10907	7.9
159.08054	3.8
159.11682	21.1
159.12910	2.6
160.12451	2.1
161.09647	6.4
161.13246	5.4
163.11163	7.4
165.06989	5.2
165.09103	18.5
166.07735	1.5
167.08525	9.5
167.10660	23.8
168.09338	8.7
169.10103	22.5
170.10872	7.6
171.08051	1.9
171.11659	28.8
172.12439	1.9
173.09639	3.3
173.13229	22.8
175.11154	5.2
175.14813	8.2
178.07770	2.1
179.08556	11.0
180.09384	3.3
181.10130	15.1
181.12036	7.0
182.10959	5.7
183.11655	22.9
184.12445	4.7
185.09573	2.5
185.13214	16.0
187.11230	2.7
187.14769	7.0
189.12723	5.4
191.14333	6.8
192.09317	4.8
193.10129	12.0
194.10909	9.7
195.11658	22.4
196.12468	5.3
197.13226	22.6
199.11197	2.7
199.14793	16.1
201.12703	2.1
201.16370	2.2
203.14275	7.0
204.09445	1.7
205.10075	2.6
206.10931	5.9
207.11688	17.4
207.13800	7.3
208.12424	6.3
209.13255	23.9
210.14003	5.0
211.11171	2.3
211.14815	12.9
213.12805	2.2
213.16371	2.8
215.14198	2.7
217.10204	2.9
217.15813	8.1
218.11067	1.8
219.11699	5.0
220.12459	5.3
221.13243	14.2
221.15395	34.9
222.14029	2.6
223.11295	2.0
223.14822	13.3
224.15604	2.8
225.12863	1.6
225.16342	7.9
227.14383	3.3
227.18036	1.4
229.10107	1.4
230.10831	1.8
231.11665	4.9
231.17332	1.5
232.12515	3.2
233.13187	7.6
233.15425	9.5
234.13983	2.5
235.11171	1.6
235.14825	11.9
235.16866	2.3
237.12779	3.0
237.16382	6.2
239.14413	2.0
239.17940	4.2
243.11774	3.5
245.13303	4.6
246.14027	3.8
247.14856	7.6
247.17133	2.6
248.15578	4.2
249.16435	9.5
250.17018	1.6
251.17935	5.9
253.15886	2.1
253.19545	1.8
255.17490	2.1
257.13278	3.0
257.19037	6.1
258.13983	2.7
259.14838	5.3
260.15656	4.0
261.16357	8.7
262.17264	2.2
263.18030	8.4
265.19473	7.0
269.18991	5.3
271.14838	3.2
271.20383	3.4
272.15530	2.3
273.16287	4.0
274.17093	1.8
275.17883	8.9
277.16284	1.9
277.19485	4.2
279.17697	1.6
279.21051	2.4
281.19147	2.3
283.20605	11.6
287.17615	2.3
289.19559	4.5
291.17538	1.8
291.21097	1.7
295.20566	4.6
297.16257	1.7
297.22171	3.0
299.20236	2.8
301.19467	2.8
303.21008	2.1
307.20398	1.6
309.22046	2.8
315.21155	2.9
317.22589	1.7
329.22421	2.6
331.24313	5.2
333.22067	1.9
335.23755	1.8
343.24084	3.1
347.23679	4.0
349.25299	5.7
352.23721	1.8
357.25861	2.5
361.25256	3.9
365.25046	1.5
373.25433	1.5
375.26880	4.7
403.29843	5.5
411.26151	1.9
427.30167	1.7
491.35092	4.8
509.33923	3.8
547.38928	4.0
565.40314	20.5
583.41376	100.0
584.41846	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	581.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01873	1.6
55.02079	0.3
57.03426	0.6
64.28468	0.3
65.03924	0.4
67.05504	0.3
69.03432	0.6
70.06566	1.1
70.61282	0.2
71.52739	0.3
73.02905	0.3
77.03933	0.3
77.88528	0.3
78.21570	0.3
79.05479	1.2
81.03395	1.0
85.02892	3.4
86.09676	0.8
91.05479	0.6
92.76770	0.3
95.04967	1.7
97.02895	1.5
103.03924	0.6
103.05470	0.5
105.07025	0.8
107.04942	100.0
108.02080	0.3
108.05239	0.6
109.02876	0.9
119.04948	0.6
120.08067	0.4
121.02850	2.6
121.06503	1.0
123.04449	1.0
127.03900	1.0
129.06963	0.5
131.04909	1.3
133.06494	0.8
135.04402	1.2
137.02249	0.5
139.03877	1.0
145.02765	0.4
145.06482	0.5
147.04413	1.3
149.05980	1.2
151.03842	1.5
153.01859	0.5
153.05359	0.3
157.06470	0.6
159.04384	0.8
161.05962	1.4
163.03864	2.7
165.05501	0.3
167.07082	0.4
171.04449	0.7
173.05963	1.1
175.03894	2.1
177.05434	1.8
181.04903	2.3
185.06017	0.9
187.03886	1.7
189.05469	1.1
191.03386	1.0
191.07065	0.8
193.04958	3.1
197.05852	0.5
199.03806	0.4
199.07716	0.5
201.05511	1.5
203.03430	0.7
203.06937	0.7
205.04956	5.2
207.06572	0.6
209.06000	0.3
211.03876	0.4
211.05856	0.4
212.84300	0.3
213.05524	1.2
215.03503	0.5
215.07025	0.5
217.04909	4.6
219.02904	0.7
219.06468	2.1
221.04411	1.4
223.05923	1.6
225.05498	0.9
227.07031	0.4
229.04942	2.5
230.05621	0.4
231.02986	0.5
231.06479	2.1
233.04468	0.8
235.05917	2.1
237.05499	0.4
241.04906	1.6
243.06447	1.6
245.04440	0.6
245.08101	0.6
247.05986	6.0
251.07166	0.4
251.29279	0.3
253.04947	0.8
255.06613	1.0
257.04401	0.7
257.08026	0.4
259.05975	9.4
261.07492	0.4
267.06635	0.7
269.04413	0.5
269.07892	0.4
271.05969	4.5
273.07434	1.5
277.07126	1.3
279.06485	0.6
281.07831	0.3
283.05899	1.6
285.07416	1.3
287.05530	5.3
287.08917	0.8
288.05930	0.4
289.06967	2.9
293.07947	0.4
295.05923	0.7
297.07663	1.2
299.05850	0.7
299.09146	1.9
301.07031	3.6
303.05145	0.8
307.08569	0.4
309.07532	0.4
311.05930	0.4
311.09003	1.5
313.07065	3.9
315.08737	0.4
317.10211	0.4
319.08029	0.7
323.09167	0.8
325.07059	3.4
327.08609	0.7
329.10159	3.3
337.07062	0.9
341.10071	1.9
343.08282	1.0
353.05984	0.5
353.10150	7.1
355.08038	0.7
359.09323	0.4
361.09378	0.7
365.10159	5.5
377.10117	1.8
383.11292	4.5
385.09671	0.4
389.10040	2.1
393.09827	0.8
395.11237	7.7
401.12177	0.5
403.11221	0.4
407.11237	6.7
411.10410	0.5
413.12469	2.8
419.11057	6.2
425.12299	3.0
429.11548	0.6
431.13422	12.6
437.12106	0.5
443.13351	2.7
449.12210	6.3
451.94525	0.3
461.12460	4.5
465.49014	0.3
467.13385	3.8
473.12112	1.6
479.13330	4.6
485.14359	2.5
491.13284	2.7
491.29248	0.4
497.14389	6.8
509.14310	3.1
527.15491	3.0
545.16541	1.9
548.99390	0.4
563.17755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
52.18285	2.0
53.03933	6.4
55.01868	6.6
55.05504	26.7
57.03430	13.4
57.07059	4.6
60.54235	2.0
65.03933	4.8
67.05499	100.0
69.03426	3.3
69.07059	33.4
69.30769	6.1
69.31184	12.4
71.04982	7.3
71.08620	2.1
76.01873	2.0
77.03915	2.3
79.05486	76.8
80.05798	2.2
81.03403	8.1
81.07047	99.3
83.04979	11.8
83.08616	14.3
85.06528	5.6
89.02362	2.0
91.05464	37.7
93.07036	89.7
95.04973	14.4
95.08596	72.4
96.08907	2.6
97.02916	2.9
97.06516	15.3
97.10161	7.3
98.21529	2.6
98.98459	27.3
99.04466	3.1
99.08163	2.5
101.27478	2.4
105.07024	33.4
107.04947	9.8
107.08578	43.9
109.02872	2.7
109.06546	5.1
109.10153	39.6
111.04440	5.0
111.08048	3.1
111.11694	9.1
111.93208	1.9
113.05994	2.2
115.05411	2.5
117.07001	15.3
119.08571	30.2
121.06533	2.8
121.10134	94.0
122.10500	2.2
123.04410	2.3
123.08064	6.7
123.11678	11.3
125.05994	6.1
125.09606	4.7
125.19786	1.8
127.03929	2.4
129.07021	5.8
131.08549	25.3
133.10121	19.9
135.04436	3.1
135.08047	2.7
135.11682	39.7
137.09613	3.8
137.13232	3.7
139.03903	2.9
139.07518	4.7
139.11186	24.9
143.08586	3.1
145.10118	27.0
145.94614	2.1
147.07950	2.1
147.11736	11.1
149.09605	12.3
149.13243	10.1
151.11162	2.0
153.12785	2.6
155.01012	24.2
155.08527	2.8
157.10098	5.7
159.11665	7.4
159.37416	2.2
161.13216	6.6
163.11177	31.4
163.14815	5.5
167.10675	6.6
171.11606	2.8
173.09615	6.7
173.13257	8.3
175.14864	4.9
177.16386	2.1
181.12242	9.3
183.96570	2.0
185.11719	7.4
187.14780	2.8
191.10657	11.8
191.14233	2.6
203.12732	9.7
209.11742	12.6
227.12785	22.8
243.21101	6.4
245.13820	73.4
245.22508	3.7
249.20546	2.0
261.22107	30.1
263.23697	8.1
283.15417	8.7
289.21512	2.3
289.24728	2.2
291.23206	2.4
298.31055	2.3
301.16425	50.9
317.06296	3.6
317.24661	8.3
335.25711	59.5
337.27234	19.8
341.33777	2.0
451.32590	3.0
469.32935	2.4
487.34045	5.4
538.74426	2.3
543.36707	8.5
561.29742	1.5
561.37769	40.1
579.11530	3.2
579.38843	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	579.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66326	1.8
53.03944	7.9
55.01862	4.7
55.05505	24.7
55.51604	1.8
57.03204	1.4
57.03434	12.1
57.07056	5.6
62.32274	1.6
65.03922	2.9
67.05497	90.2
68.99798	2.1
69.03406	4.0
69.07063	32.2
71.04986	6.0
71.08607	2.3
73.02892	1.7
79.05006	2.7
79.05484	72.4
81.03399	8.5
81.07048	100.0
83.04968	10.9
83.08620	11.5
85.02895	2.7
85.06535	5.2
89.02406	1.8
91.05466	39.6
93.07033	92.3
94.07347	1.9
95.04975	10.7
95.08596	73.0
97.06535	13.0
97.10152	6.9
98.20776	3.3
98.98458	46.4
99.04451	1.9
99.08118	1.5
105.07022	21.0
107.04942	10.9
107.08579	42.4
109.02859	2.9
109.06514	3.4
109.10133	28.5
111.04427	4.8
111.08053	4.5
111.11708	7.8
113.09682	2.2
116.99555	2.0
117.07011	12.4
119.08568	27.2
121.06511	4.5
121.10126	79.5
122.10498	1.7
123.04416	3.2
123.08054	4.6
123.11691	10.8
125.06021	3.2
125.09620	2.5
127.03889	4.6
129.05409	1.9
129.06981	1.9
131.08556	20.3
133.10132	14.4
135.10703	2.2
135.11682	31.0
137.09608	3.2
137.13223	5.7
139.03905	1.8
139.07529	1.9
139.11160	26.3
145.10098	24.4
147.11646	10.4
149.09615	10.8
149.13266	10.5
151.14836	2.3
153.12686	3.0
155.01022	43.6
155.08504	3.2
159.11664	6.4
161.13181	5.2
163.11154	25.6
163.14824	5.8
167.10686	3.5
173.09616	5.3
173.13257	5.2
175.14879	2.8
177.16270	1.8
181.12192	9.7
185.11682	8.6
187.14874	3.1
191.10645	8.3
201.16429	2.2
203.12752	8.1
209.11662	8.3
227.12781	25.8
243.20934	7.6
245.13821	57.7
245.22556	6.7
260.80923	1.7
261.22086	21.9
263.23615	12.8
265.14401	1.8
279.23047	2.1
283.15329	10.0
301.16412	30.7
317.06531	4.1
317.24500	8.3
335.25760	54.4
336.25995	1.8
337.27319	28.2
338.27573	3.2
469.33057	2.4
487.34146	2.7
543.36621	3.0
561.37708	22.0
579.10565	1.9
579.39319	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	579.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01849	5.7
55.05501	27.9
56.79358	2.9
57.03425	7.1
57.07079	4.3
60.09071	3.1
65.03928	5.8
67.05496	100.0
69.03421	4.5
69.07063	26.3
71.01369	3.9
71.04971	7.5
71.50058	3.1
71.52834	3.6
77.03967	3.2
79.05487	72.2
81.03402	4.9
81.07047	100.0
83.04955	9.2
83.08601	10.3
85.06537	4.8
91.05462	43.6
93.07033	100.0
95.04952	15.0
95.08585	68.0
97.06516	12.8
97.10164	8.7
105.06998	32.7
107.04912	10.7
107.08583	50.1
109.02883	3.6
109.06496	5.3
109.10151	33.9
111.04449	4.7
111.08083	5.9
111.11708	6.9
117.07013	14.5
119.08578	34.2
121.06508	4.8
121.10129	85.4
122.10548	4.6
123.04424	19.3
123.08018	5.7
123.11671	13.1
125.06009	3.9
127.03893	44.1
129.07005	7.3
131.08525	33.6
133.10115	22.2
135.04440	8.6
135.08101	4.6
135.11667	37.6
137.13297	6.7
139.03880	14.5
139.11188	23.9
145.10106	35.0
147.04367	5.0
147.07971	3.4
147.11667	17.4
149.09607	11.0
149.13245	12.7
159.11728	12.5
161.13213	12.6
163.03889	14.8
163.11125	21.1
163.14793	4.8
167.03416	3.4
167.08649	3.3
173.09650	5.4
173.13248	14.3
181.12216	9.1
185.11699	7.9
187.14777	5.4
191.10698	9.0
203.12682	5.9
209.11691	8.4
227.12804	19.5
240.48491	3.3
243.21059	14.2
245.13800	50.4
247.06047	3.8
257.04532	5.2
259.06100	3.4
261.22134	55.2
266.59473	3.7
271.06030	10.1
275.05396	4.4
275.19821	4.0
283.06454	3.7
283.15253	7.6
287.05472	9.5
301.06979	4.2
301.16370	32.7
317.24704	9.9
335.25778	53.0
353.26849	27.9
409.08936	7.3
543.36566	6.1
561.37860	30.8
579.38348	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	579.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19492	2.5
53.03928	8.2
55.01859	8.4
55.05503	27.1
55.75099	2.4
56.69812	2.8
57.03416	11.6
57.25394	2.4
62.28973	2.6
65.03939	6.1
67.05498	98.1
69.07059	33.2
69.47286	2.5
71.04974	6.7
79.05486	83.6
81.03401	5.3
81.07049	100.0
83.04977	19.3
83.08611	8.5
85.06538	5.1
91.05466	34.1
93.07036	95.1
95.04951	11.2
95.08600	69.4
97.02888	3.0
97.06509	13.9
97.10151	8.2
99.04424	4.3
99.08060	3.7
105.07020	26.7
107.04922	9.2
107.08582	46.7
109.06480	5.1
109.10130	32.2
111.04427	16.7
111.08064	7.0
111.11707	8.0
114.84775	2.8
117.06988	11.3
119.08570	37.5
121.06483	6.9
121.10130	95.0
123.11718	12.7
125.05927	5.1
125.09588	3.9
129.05469	3.0
129.06931	6.8
130.07787	3.3
131.08562	22.2
133.03528	2.9
133.10127	20.1
135.08116	4.1
135.11676	45.7
137.13264	3.7
139.11162	27.9
143.08562	3.9
145.10123	33.7
147.08002	3.1
147.11658	13.9
149.09589	7.8
149.13231	7.5
153.12706	8.5
155.08517	3.2
159.11681	7.6
161.13260	11.8
163.09927	3.0
163.11169	38.4
163.14807	6.6
165.12762	2.7
173.09549	4.9
173.13226	9.2
181.12195	27.8
185.11703	8.6
187.14864	6.1
191.10626	16.0
197.13235	3.2
209.11668	7.2
227.12767	39.0
229.67076	2.6
243.21014	14.5
245.13815	73.7
256.86395	2.7
261.22086	39.4
279.22922	2.9
283.15350	21.8
301.16437	74.0
317.24689	15.0
335.25766	77.9
353.26508	20.4
354.26971	3.1
451.31781	3.4
469.33099	3.8
487.34015	3.4
543.36481	12.6
561.37872	50.6
579.38391	11.2
586.26971	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	579.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	3.6
55.05504	9.8
57.03426	4.7
57.07073	3.3
65.03945	2.7
67.05499	55.5
69.03416	3.2
69.07059	9.8
70.97414	2.2
70.97752	1.5
71.04992	2.1
71.08629	1.7
73.02900	2.8
75.04472	1.4
79.05483	33.3
81.03410	4.0
81.07048	65.2
83.04985	2.0
83.08605	8.1
85.02911	2.9
85.06542	2.7
91.05472	16.9
91.06012	1.4
91.97623	1.0
93.07040	43.2
95.04956	3.2
95.08601	46.1
96.08955	1.1
97.02873	2.1
97.06528	3.9
97.10159	2.5
98.98461	1.6
99.04453	2.7
99.08109	2.2
105.07031	19.7
107.04941	1.4
107.08585	33.4
107.90685	1.0
109.02863	7.3
109.10149	30.7
110.03638	2.7
111.04439	4.6
111.08098	1.6
115.05520	1.1
115.78983	1.1
117.07003	9.3
119.08569	14.7
121.10141	28.9
123.11702	15.5
127.03917	3.8
131.01315	1.0
131.08543	19.3
133.10124	13.6
135.11688	21.9
137.09612	1.7
137.13271	6.8
139.03810	1.2
139.11136	1.4
143.08464	1.3
145.01559	1.0
145.10097	15.0
147.11690	12.1
149.13254	19.4
151.11186	1.5
151.14803	2.3
153.12682	1.2
155.01006	1.2
157.10167	1.4
159.11671	13.0
161.13266	8.5
163.11162	1.6
163.14799	12.0
165.12808	1.3
168.08011	1.1
171.11655	1.2
173.13232	15.4
175.14822	4.5
177.12796	1.5
177.16367	4.7
179.14291	1.7
187.14778	7.8
191.00102	3.7
201.16391	1.8
205.15808	2.1
215.17850	1.3
219.17461	1.6
233.22646	4.3
243.21088	27.8
251.25879	1.1
261.22116	100.0
262.22525	2.6
263.23615	2.9
277.21692	1.3
279.23291	3.5
303.23087	2.0
335.25812	11.7
337.27408	3.6
353.26843	79.1
369.24231	3.0
369.86191	1.3
432.61792	1.2
443.28168	2.2
451.21396	1.4
487.23730	1.7
507.24020	1.7
561.27081	4.7
579.28540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
67.01878	2.1
68.99773	6.1
69.18790	18.3
79.05486	2.1
81.03400	4.8
82.41246	1.7
85.02898	11.5
87.00822	3.0
91.05484	3.0
95.04977	1.9
105.03376	2.5
105.06987	2.0
107.04959	14.1
109.02875	7.4
109.80746	1.9
111.00833	1.7
111.04417	2.5
115.05465	2.3
119.04935	7.1
121.02878	3.5
123.04425	50.7
127.03905	100.0
128.06238	1.8
131.04942	5.5
135.04396	29.0
137.02295	2.1
139.03889	54.1
139.04919	3.6
147.04440	13.4
149.02298	4.8
149.05946	2.5
151.03906	10.3
157.06445	2.5
159.04410	4.9
161.05966	7.1
163.03900	37.8
165.05428	6.8
167.03392	8.4
169.06451	3.6
171.04393	6.3
171.07953	1.7
173.05981	4.1
175.03911	10.6
177.05440	6.3
179.03365	5.8
181.04919	4.4
181.06436	2.8
185.06004	7.0
187.03949	8.0
187.07541	2.4
189.05453	12.0
191.03340	10.6
193.04987	13.0
197.05989	5.8
201.05392	11.3
203.03349	10.8
203.07077	6.9
205.04979	13.7
207.06453	4.8
211.05963	2.4
213.05429	8.0
215.03357	2.3
215.06912	3.7
217.04936	17.8
219.02876	2.2
219.06444	3.9
221.04369	2.6
223.06018	5.4
225.05453	5.1
227.06963	4.9
229.04930	11.6
231.06516	11.4
233.04443	7.3
235.05986	14.5
237.05569	1.9
239.06837	2.5
241.04964	6.4
243.06438	12.3
245.04497	8.7
245.08052	3.6
247.06001	28.2
253.04877	4.2
253.07190	2.6
255.06578	8.6
257.04486	10.6
259.05997	26.1
262.09506	2.1
265.04944	3.4
267.06506	2.5
269.04605	2.4
269.08139	2.5
271.06003	27.2
273.07468	11.7
275.05426	16.2
277.07101	14.2
283.05994	18.0
285.07550	7.2
287.05475	21.8
288.05807	2.1
289.07031	25.6
291.08661	11.6
295.05914	2.2
297.07547	6.8
299.05496	4.8
301.07040	32.6
303.08786	2.7
307.08151	3.4
313.06873	8.7
315.08505	2.7
319.08063	8.8
325.06958	10.2
337.09637	2.9
339.08176	1.8
343.08157	14.6
355.08289	2.8
361.09058	2.8
367.08237	6.0
379.10083	3.4
385.09106	7.7
403.10651	4.2
409.09189	22.5
411.09338	9.5
421.10818	3.1
427.10193	6.6
447.09119	2.2
459.09204	3.3
471.09308	2.0
477.10364	2.8
482.96442	2.1
489.10156	1.9
507.10965	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	579.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88827	0.9
53.03938	3.9
55.01856	3.0
55.05508	9.4
57.03433	5.2
57.07064	4.1
58.40937	1.0
61.02898	1.1
65.03925	3.1
67.05497	62.2
69.03416	4.6
69.07057	10.5
69.91805	5.5
71.04980	3.3
71.08613	2.0
73.02905	3.2
75.04472	1.7
78.22364	1.2
79.05484	35.7
79.28034	0.9
81.03407	5.6
81.07047	67.9
83.04964	2.9
83.08619	6.8
85.02909	2.8
85.06537	2.2
91.05468	19.7
93.07035	44.3
93.25649	0.9
95.04974	3.3
95.08598	52.0
97.02896	2.1
97.06507	3.2
97.10167	4.3
98.20834	1.6
98.98438	2.5
99.04443	3.9
102.29339	1.2
105.07012	16.4
107.08583	28.3
109.02882	7.2
109.06520	1.7
109.10148	30.1
110.03640	3.7
111.04444	3.8
111.08029	2.4
111.11707	0.9
117.07000	10.7
119.08572	14.1
121.10125	32.6
123.08035	1.7
123.11691	17.5
125.09580	1.2
127.03918	5.5
129.06985	1.7
131.08554	20.0
132.94267	1.1
133.10121	11.9
135.11685	20.2
137.09596	2.4
137.13240	7.3
139.11124	2.0
143.08571	1.4
145.10101	15.1
147.11667	10.4
149.13239	17.2
151.11174	2.5
151.14809	1.9
155.01042	1.7
159.11674	15.5
161.13248	8.3
163.11172	1.4
163.14795	10.3
165.12741	1.4
173.13252	15.7
175.14771	3.5
177.12640	1.5
177.16370	5.3
179.14307	2.1
185.09573	1.2
187.14798	9.7
191.00066	2.5
192.66632	1.0
201.16374	3.1
205.15848	1.8
233.22627	4.5
243.21072	25.9
243.23401	2.1
244.21346	1.2
261.22113	100.0
262.22369	1.2
279.23196	4.9
303.23206	2.8
317.24631	1.9
335.25790	14.8
337.27444	1.4
353.26825	75.8
369.24396	2.8
377.26837	2.7
443.27805	1.6
451.21277	2.3
543.36658	1.6
561.26917	3.8
561.36517	1.2
579.28369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1492
Annotation	Epimesquitol-(4beta->4)-epioritin-4beta-ol
Peak:m/z	Relative Intensity
51.02378	1.0
55.01862	1.4
65.03944	1.4
68.99786	3.3
69.40848	8.3
81.03413	2.9
85.02908	1.1
90.83250	0.8
91.05457	1.3
95.04958	2.7
98.21558	1.8
105.03400	1.1
107.04938	4.3
109.02861	2.1
111.00810	1.9
111.04439	1.6
115.05512	1.2
118.62568	1.0
119.04918	4.7
123.04417	100.0
127.03904	67.3
131.04881	2.2
135.04398	25.3
135.09326	0.9
137.02341	3.0
139.03885	35.9
143.04832	1.4
147.04381	15.3
149.02324	2.8
149.05998	1.4
151.03897	6.1
155.04895	1.2
159.04413	2.5
161.05951	4.4
163.03897	31.6
165.05481	9.1
167.03401	3.8
169.06479	2.0
173.06030	4.0
175.03931	3.0
177.05466	3.7
178.79848	1.0
179.03383	4.6
181.05025	1.5
185.06004	2.2
187.03853	6.0
187.07574	1.0
189.05450	2.9
191.03387	8.8
193.04953	7.7
197.05974	2.5
201.05441	4.7
203.03349	12.3
203.07021	2.1
205.04984	2.4
207.06512	2.0
213.05496	2.5
215.03365	1.9
215.07057	2.1
217.05003	2.9
225.05255	1.3
229.04930	6.2
230.05429	1.1
231.06541	2.3
233.04433	2.3
233.65552	1.0
241.04968	3.2
243.06528	3.2
245.04448	14.5
247.05978	16.1
255.06500	3.3
257.04425	17.2
258.05179	2.6
259.05850	5.8
269.04480	2.9
271.05988	16.5
273.07581	2.3
275.05435	17.4
283.05936	7.6
285.07602	2.6
287.05490	38.8
289.07050	8.0
290.28769	1.1
291.08600	10.4
293.74057	0.9
299.05505	10.9
301.07104	9.4
303.08630	3.4
313.07059	2.1
333.09656	2.1
409.09116	36.4
411.10706	3.7
417.09598	1.0
421.09048	2.8
427.10291	5.7
433.09436	1.0
435.10815	6.6
439.10110	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	579.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01867	2.0
65.03925	1.4
67.05491	2.2
68.99776	7.5
70.01703	6.0
70.06584	2.8
71.15208	1.3
77.03952	1.6
79.05456	3.0
81.03403	6.3
85.02886	2.8
86.42619	1.4
91.05475	4.2
95.04975	4.2
96.13983	1.3
103.05444	1.8
105.03365	3.0
107.04945	73.3
109.02861	4.4
111.00777	3.8
111.04419	3.7
115.05464	1.7
119.04933	25.4
121.02831	4.6
123.04415	66.2
127.03905	100.0
131.04941	3.3
133.06522	1.7
135.04401	37.1
135.05412	2.2
136.04764	2.2
137.02312	5.0
137.05931	1.4
139.03888	98.6
141.06927	1.6
145.06453	7.0
147.04396	30.8
149.02310	6.2
149.05937	2.0
151.03888	14.0
151.32004	1.3
153.05333	1.4
157.06488	2.9
159.04404	4.7
161.05959	8.1
163.03883	46.9
165.05455	8.4
167.03343	11.5
167.07103	2.4
169.05029	1.5
169.06480	2.8
171.04416	4.7
173.05908	3.4
175.03867	5.2
177.05481	6.6
179.03375	10.3
181.04903	5.0
181.06409	1.8
185.05954	3.9
187.03886	7.3
187.07607	2.1
189.05470	7.3
191.03351	14.6
193.04973	7.3
195.02809	1.5
197.06009	2.8
199.07555	1.7
201.05450	8.5
203.03372	16.8
203.07053	3.0
205.04893	3.9
207.06496	3.1
213.05426	3.1
215.03375	2.5
215.07059	1.9
217.04930	4.8
225.05386	1.8
227.06950	2.7
229.04944	10.6
231.06497	21.6
233.04466	6.5
241.04892	2.4
243.06441	7.6
245.04425	17.2
247.06018	17.6
255.06398	9.0
257.04437	22.4
258.05069	3.9
259.05960	9.5
267.06421	4.3
269.04498	5.5
269.08023	3.0
271.05972	22.2
273.07578	11.9
275.05450	26.6
278.05621	2.5
279.06393	9.4
281.07693	1.4
283.06018	8.1
285.07581	4.7
286.05374	1.5
287.05481	44.0
289.07089	13.7
291.09030	11.5
292.07230	1.7
297.07568	3.2
299.05499	13.0
301.07101	14.8
303.08716	1.9
305.08148	2.0
306.08807	1.5
307.08209	3.1
309.07565	10.7
319.08731	1.9
321.07449	7.9
333.07401	2.9
335.08984	2.2
339.08542	2.0
345.07492	3.2
345.84863	1.3
363.08783	6.6
375.08588	2.3
387.08536	3.9
393.09534	14.8
405.09717	2.4
409.09195	26.9
411.10757	10.9
423.10635	3.2
425.08612	10.9
427.10004	4.9
435.10767	6.8
437.08676	2.4
439.10519	1.7
441.11658	7.4
455.09854	2.6
459.13058	1.9
465.11569	3.7
495.12903	2.4
507.12985	2.0
513.13397	1.9
525.14172	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Epimesquitol-(4beta->4)-epioritin-4beta-ol
Peak:m/z	Relative Intensity
51.02351	1.0
53.03908	1.2
55.01845	1.8
65.03938	1.1
67.05470	1.2
68.99782	5.1
70.92382	1.5
70.92760	1.6
71.83027	0.6
77.03902	1.5
79.05455	1.4
81.03415	3.2
91.05432	1.7
93.03365	1.3
95.04929	2.7
97.02843	0.7
99.04434	1.5
103.05392	0.7
105.03378	1.6
105.07023	0.7
107.04940	7.0
109.02863	2.8
111.00792	2.7
111.04427	2.5
115.05417	0.7
117.03358	0.7
119.04927	6.0
121.02834	1.5
121.06509	0.7
123.04414	97.3
124.04736	1.7
127.03902	100.0
128.04230	1.1
131.04927	2.4
133.45926	0.8
135.04399	37.8
137.02313	3.8
137.06001	0.8
139.03888	39.2
140.04164	0.7
141.06979	1.4
143.04884	1.0
145.06471	1.1
147.04396	17.5
149.02315	4.7
149.05972	1.6
151.03847	6.7
153.07022	0.9
154.07141	0.7
159.04425	4.2
161.05962	5.2
163.03891	43.1
165.05449	7.6
167.03378	8.2
169.05061	1.0
169.06422	1.6
173.05978	4.4
175.03961	2.8
177.05424	4.3
179.03389	5.4
179.07138	0.8
181.04965	2.5
181.06416	0.9
183.04446	0.9
185.06024	1.6
187.03847	6.1
187.07578	1.4
189.05455	4.7
191.03368	10.1
193.04936	5.8
197.05998	4.3
201.05457	7.7
201.07022	0.9
202.06058	0.9
203.03360	10.6
203.04956	0.9
203.07092	2.8
205.04884	3.2
207.06535	2.3
213.05530	2.2
215.03409	1.5
215.07143	2.8
217.04915	3.9
219.06569	1.1
225.05493	2.2
227.07129	1.0
229.04906	7.8
231.06653	3.0
233.04466	3.3
241.04979	3.3
243.06516	5.9
245.04460	11.3
245.06705	0.8
247.06023	16.7
247.08420	0.9
253.04807	1.5
255.06490	3.5
257.04416	15.6
257.07022	0.8
258.05298	2.6
259.05975	7.1
260.55338	0.8
261.07532	0.9
265.05005	1.3
269.04352	3.7
271.05981	22.3
271.08728	1.2
273.07376	3.7
275.05484	13.1
283.06006	6.6
285.07471	3.2
287.05463	37.3
288.05936	1.0
289.07050	9.1
289.09967	0.7
291.08609	9.8
291.11688	1.0
295.06104	0.8
299.05457	9.5
299.08517	0.8
301.07013	10.1
303.08630	4.0
311.05692	1.5
313.07269	2.2
333.10107	0.8
391.08591	0.8
409.09131	34.4
410.09464	1.1
411.10678	5.1
421.09286	1.6
427.10110	5.6
433.09680	0.8
435.10727	6.3
435.15002	0.6
439.10236	4.3
453.11917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
55.01865	1.2
68.99775	3.7
69.58955	4.7
81.03404	2.7
81.49953	0.8
85.02905	0.9
95.04984	1.1
98.56145	0.8
107.04933	2.2
109.02879	1.9
111.00771	1.4
111.04421	2.2
119.04913	1.1
122.07193	0.7
123.04414	33.9
127.03902	100.0
128.04236	1.0
131.04907	1.9
135.03407	1.6
135.04398	24.3
137.02318	2.3
139.03888	52.3
141.06960	1.1
147.03407	0.8
147.04373	5.2
149.02325	3.0
149.05914	1.3
151.03897	7.2
155.04877	1.0
159.04391	3.0
161.05977	3.8
163.03889	37.1
165.05421	5.9
167.03403	5.7
169.06439	1.6
173.05971	2.7
175.03894	2.8
177.05435	3.8
179.03326	3.8
185.05914	1.5
187.03824	6.2
189.05507	1.5
191.03360	10.0
193.04973	2.2
197.06007	2.3
201.05368	6.2
203.03342	7.8
203.07060	2.2
205.04993	2.2
207.06488	1.2
213.05397	1.5
215.03386	1.6
215.06955	2.3
217.04976	0.7
229.04964	5.8
231.06529	1.4
233.04362	5.6
243.06523	5.1
245.04428	8.4
247.05994	15.5
251.05359	1.8
253.04788	1.7
255.06447	2.7
257.04395	10.0
258.05078	1.0
259.05988	8.6
261.07513	1.1
269.04276	2.2
271.05966	18.6
273.07437	2.0
275.05472	17.2
276.05704	0.8
283.05954	7.4
287.05453	24.7
289.07092	10.9
291.08588	13.0
299.05502	3.4
301.07025	13.4
303.08728	1.6
348.07394	0.8
409.09161	24.0
410.09216	1.0
411.10791	3.6
421.09152	1.4
427.10178	5.9
427.50128	0.9
435.10806	0.9
439.10205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03933	0.6
55.01862	1.5
60.94594	0.6
65.03938	0.9
67.05491	0.6
68.99780	6.1
69.00124	0.7
70.06586	0.5
71.11310	0.8
71.11660	0.9
77.03925	0.7
81.03401	2.4
85.02898	0.6
89.03862	1.0
91.05453	1.3
95.04958	1.5
99.04449	1.1
103.05502	0.6
105.03375	1.0
107.04955	5.2
109.02850	3.0
111.00796	2.9
111.04438	2.7
115.05412	0.9
119.04899	2.8
121.02829	1.4
123.04420	45.9
124.04728	0.6
127.03907	100.0
130.23463	0.5
131.04913	1.9
135.04402	28.8
136.04803	0.7
137.02336	2.6
137.05995	0.6
139.03889	49.3
140.04279	0.7
141.06952	1.1
143.04906	1.2
145.06503	1.2
147.04398	7.4
149.02364	3.8
149.05981	2.1
151.03883	7.1
155.04938	0.8
156.82608	0.5
157.06566	0.8
159.04401	2.7
159.08170	0.5
161.05928	2.9
163.03893	34.8
164.04472	0.6
165.01611	0.7
165.05446	5.9
167.03386	7.5
167.42078	0.5
169.06474	2.1
171.04367	0.7
173.06001	3.3
175.03889	4.0
175.15059	0.6
177.05450	4.7
179.03374	3.4
181.04942	1.1
181.06432	0.6
183.04477	0.9
185.05981	1.2
187.03821	5.6
187.07472	1.0
189.05502	3.2
191.03378	10.5
193.04921	3.5
197.04407	0.6
197.05887	3.0
197.79601	0.5
201.05472	6.7
203.03374	8.6
203.07051	1.8
205.04927	2.7
207.06462	1.7
213.05484	1.4
215.03462	1.4
215.07062	2.7
217.04979	1.9
225.05394	1.5
227.06990	0.7
229.04962	6.3
231.06577	1.8
233.04462	4.5
241.04945	0.9
243.06490	5.9
245.04503	6.4
247.05978	14.7
251.05429	1.0
253.05025	0.9
255.06537	2.0
257.04391	9.1
259.05966	7.1
261.07635	0.9
267.82703	0.6
269.04413	2.3
271.03076	1.0
271.05981	16.7
273.07602	2.8
275.05478	14.5
276.05734	0.6
283.05963	6.4
285.07468	0.9
287.05460	22.2
288.05725	1.0
289.07059	10.5
289.10184	1.0
291.08633	12.4
297.07574	0.8
299.05591	3.8
301.07028	12.5
303.08594	1.8
409.09128	22.4
410.09543	0.9
411.10669	3.5
421.09177	1.8
427.10315	5.5
435.10715	1.5
439.10315	0.8
467.63840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
56.05039	0.6
60.64795	0.6
61.02924	0.8
65.03907	0.7
69.03416	1.7
70.06578	3.1
71.52547	0.8
72.08144	1.5
76.34744	0.6
79.05507	0.7
81.03416	1.0
81.07016	1.1
83.04974	0.8
84.04495	1.2
84.08136	0.9
85.02884	1.8
86.09702	3.7
95.01328	4.2
97.02876	3.8
107.04932	1.3
113.02358	2.9
117.03328	1.1
120.08014	1.3
121.13866	0.6
123.00772	3.7
123.04428	2.2
125.02338	0.8
127.03902	1.4
135.04388	1.8
137.05960	9.1
139.03896	1.6
141.01796	3.4
143.03342	1.7
145.02812	2.9
146.03185	1.3
149.05952	1.1
151.03938	1.1
153.05513	1.1
161.05966	5.2
163.03894	1.7
163.68652	0.6
165.07014	1.4
167.07007	1.0
169.01332	2.6
175.03848	0.7
175.07468	0.8
177.05423	4.6
178.05774	1.6
179.08514	1.3
179.62349	0.7
188.04703	1.0
191.07059	0.8
193.06467	2.5
197.09526	0.7
201.05519	1.1
203.06961	3.9
207.06490	0.7
207.08138	1.1
209.08040	1.1
210.06752	1.4
211.07545	0.9
221.05957	6.6
221.08075	1.5
223.07550	1.3
224.08311	1.4
225.09102	5.9
226.11330	0.8
227.07141	1.1
235.07431	1.7
237.05440	1.0
237.09030	0.9
238.06245	1.3
239.06966	1.0
239.10585	1.2
241.05226	0.7
241.08521	1.4
247.06055	0.9
251.07126	1.3
252.07777	1.5
253.08548	8.7
255.06445	1.5
256.07034	0.8
265.08591	0.8
266.09424	0.9
267.10193	7.3
269.08038	5.5
270.08847	1.1
271.09732	0.9
283.09631	1.6
284.10281	0.9
285.11157	17.2
287.05420	0.9
294.08691	0.8
295.09521	1.6
299.12494	0.8
309.11166	1.9
323.52725	0.7
326.11435	2.7
327.12241	19.1
344.12506	100.0
345.13257	29.9
356.12485	1.0
383.15268	0.9
384.15210	1.5
389.08466	2.2
449.12302	0.7
513.13922	0.8
552.60687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1488
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02369	0.7
55.01864	1.3
61.02290	0.6
66.91557	0.6
68.99780	3.8
70.78790	1.6
77.03915	0.8
79.05482	0.7
81.03391	2.2
91.33891	0.7
95.04940	0.9
99.04448	1.2
107.04935	4.1
109.02871	2.4
111.00792	1.8
111.04402	2.3
119.04916	1.1
121.02852	0.9
123.04411	30.4
127.03899	100.0
128.04251	1.7
131.04907	1.4
135.04398	27.7
137.02351	2.0
139.03885	40.9
141.06973	0.9
147.04388	5.0
149.02362	3.2
149.05951	1.5
151.03867	6.7
152.65091	0.6
155.04919	0.8
157.06465	1.0
159.04395	2.9
161.05933	2.6
163.03889	29.0
165.05476	5.2
167.03386	7.0
167.53041	0.6
169.06451	1.4
173.05971	1.7
175.03903	2.4
177.05458	3.2
179.03346	1.7
183.04366	0.7
185.05911	1.1
187.03856	4.5
189.05408	1.1
191.03372	7.8
193.04965	3.1
197.05937	4.8
201.05455	4.4
203.03354	6.7
203.07083	2.1
205.04895	2.1
207.06580	0.9
208.32512	0.6
213.05457	1.0
215.03365	1.4
215.06862	3.0
217.04886	1.7
229.04930	5.4
231.06546	1.4
233.04391	4.4
241.04720	1.0
243.06523	3.2
245.04482	4.2
247.05989	14.1
251.05557	0.8
253.04869	1.1
255.06435	1.3
257.04407	6.5
259.06027	7.5
269.04453	2.2
271.06012	18.2
273.07559	1.7
275.05463	15.1
283.05908	5.0
285.07584	0.6
287.05463	18.5
289.07013	12.2
291.08603	9.8
299.05521	3.0
301.07010	11.1
303.08603	2.1
311.05667	0.9
311.97626	0.8
379.08862	0.7
409.09125	21.2
411.10873	3.1
427.10178	4.9
435.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
51.47678	0.6
55.01865	1.7
56.96560	1.8
67.05498	0.8
68.99783	5.5
77.03932	0.7
81.03406	3.8
82.59715	0.6
83.04968	0.6
85.02891	1.4
85.06666	0.6
91.05450	0.8
93.03411	0.7
95.04940	2.4
97.02875	1.3
98.97578	2.5
99.04459	1.3
103.05466	0.6
105.03423	0.9
107.04953	5.6
109.02884	2.4
109.36880	0.7
110.97541	1.4
111.00784	3.1
111.04398	3.1
115.05417	0.9
116.98609	1.6
117.03360	1.2
119.04898	3.1
121.02849	1.6
123.04414	41.3
127.03900	100.0
128.98575	1.4
131.04893	1.8
134.99620	0.8
135.04401	28.4
137.02313	2.3
137.05904	0.7
139.03886	45.6
141.06969	1.3
143.00133	0.9
143.04919	0.6
145.02773	1.1
146.99619	1.0
147.04378	6.4
149.02328	4.8
149.05954	1.6
151.03882	7.5
157.06448	1.1
158.99617	0.8
159.04378	2.9
161.01184	0.7
161.05949	3.5
163.03883	34.8
164.04385	0.6
165.05458	5.0
167.03386	7.9
169.06465	1.3
170.99649	1.7
173.05968	2.5
175.03937	3.7
177.00708	1.4
177.05475	4.6
179.03404	3.6
181.05009	1.0
181.06506	0.9
183.04405	0.7
185.05945	1.1
187.03807	5.5
187.07622	0.7
189.00673	2.3
189.05498	1.9
191.03358	12.3
193.04974	4.6
197.05956	3.0
201.00693	1.6
201.05481	6.7
203.03368	7.9
203.06990	2.0
205.04990	3.0
207.06439	0.8
213.05453	1.6
215.03337	0.8
215.06946	4.0
217.04996	1.8
219.01796	2.4
225.05415	1.3
227.07025	1.1
229.04944	7.0
231.06459	4.0
233.04372	6.2
237.02859	1.2
241.04880	1.2
243.06487	4.5
245.04448	6.2
247.05998	14.9
251.05544	2.2
253.04880	1.2
255.06485	1.9
257.04425	11.4
259.05963	9.3
261.02890	2.2
269.04434	2.4
271.05978	18.1
273.07581	1.6
275.05469	16.1
279.03903	1.4
283.05991	5.8
285.07648	1.0
287.02216	1.1
287.05463	22.4
289.07047	9.9
291.03867	1.2
291.08612	8.5
299.05481	3.7
301.07080	11.6
303.08609	1.6
311.05463	0.6
321.04895	0.8
351.06134	0.7
365.10565	0.7
381.07092	0.8
391.08102	1.2
393.09537	0.9
409.03723	1.1
409.09131	19.7
411.10947	3.0
421.02448	0.8
421.09079	0.9
423.08096	1.4
427.10242	5.9
435.10287	0.8
439.09720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1335
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
52.48681	0.1
62.05544	0.1
69.03383	0.2
70.06552	0.2
81.03381	0.3
82.72830	0.1
85.02872	0.3
86.09690	0.3
93.75227	0.1
95.04919	0.2
97.02886	0.2
105.07022	0.1
107.04871	0.2
109.02779	0.2
119.04859	0.2
123.04410	0.7
127.03920	1.3
132.38329	0.1
135.04350	0.5
137.02319	0.2
137.05869	0.2
139.03835	0.5
145.02742	0.1
147.04402	0.2
150.05486	0.2
151.03830	0.1
153.01804	0.7
154.02579	0.2
161.05978	0.2
163.03868	0.6
167.03374	0.2
171.02922	0.2
177.05452	0.2
178.02585	0.3
179.06989	0.1
181.04961	0.3
191.03313	0.1
192.06512	0.2
193.06784	0.1
203.03424	0.3
207.06555	0.2
223.23805	0.1
229.04961	0.2
241.05083	0.1
242.05739	1.4
247.06068	0.2
257.04507	0.2
258.05191	1.6
269.04382	0.3
270.05225	7.3
271.05762	0.3
273.03955	0.8
286.04736	0.7
287.05484	4.2
298.04773	0.2
299.05460	0.7
301.03394	1.9
302.04175	2.3
313.03339	0.7
315.04956	31.4
316.05698	4.1
331.08090	100.0
332.08426	2.1
345.12936	0.2
409.09341	0.2
493.13391	1.8
535.14685	0.3
561.11841	0.3
579.13416	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01861	9.5
55.05272	3.2
55.05508	44.1
57.03428	11.9
57.07067	3.1
60.88126	2.6
65.03933	6.1
67.05502	87.7
69.03419	4.3
69.07071	24.4
71.04975	3.8
71.08594	3.5
71.53056	3.5
78.97665	2.4
79.05489	67.4
81.03416	5.9
81.07054	100.0
83.04977	9.7
83.08617	21.8
85.06521	4.6
91.05465	54.5
93.07034	68.5
95.04955	12.5
95.08600	73.2
97.06523	9.6
97.10162	32.5
99.00799	4.9
103.05452	2.9
105.07029	49.5
106.61837	3.0
107.04940	11.4
107.08592	41.8
109.02856	12.3
109.06502	6.1
109.10145	35.6
111.04453	3.4
111.08060	8.4
117.07005	19.1
119.08553	35.3
121.06484	7.3
121.10130	25.8
123.08060	12.5
123.11731	14.4
125.09620	23.2
127.03944	3.1
128.06229	4.2
129.07001	8.7
131.08553	26.4
133.06461	3.5
133.10133	39.0
135.08060	6.7
135.11671	22.3
137.09634	4.2
137.13237	3.4
139.07547	3.7
139.11127	2.8
143.08534	15.7
145.06563	3.1
145.10130	26.1
147.08054	5.2
147.11707	15.6
149.02316	4.3
149.09618	7.1
149.13203	12.9
151.11159	5.4
153.12680	3.9
155.08498	4.7
157.10106	10.7
159.11708	18.4
161.09576	15.3
161.13266	12.0
163.11133	7.0
163.14778	4.3
165.09122	3.2
169.10126	6.3
169.12242	3.1
171.08047	4.2
171.10277	2.6
171.11681	8.7
173.09589	4.0
173.13208	13.5
175.11113	3.3
175.14848	3.0
177.12729	4.3
179.10677	5.9
179.14241	5.8
181.10088	4.5
181.12260	6.1
183.11708	5.8
185.13297	6.6
187.13290	4.6
187.14786	6.5
189.09282	4.4
189.11206	16.2
191.10556	4.0
192.37286	2.5
193.12190	2.7
197.13237	7.4
207.10071	4.2
209.11699	2.8
225.11206	11.7
227.12819	18.9
241.19484	5.4
243.12173	4.0
243.21030	5.0
245.13699	4.6
259.20590	9.0
261.21991	25.1
269.17569	7.5
273.18506	8.8
275.20090	3.9
277.21591	10.0
279.23212	5.5
283.15396	7.3
287.23746	7.5
291.19345	13.9
297.22327	4.2
299.14978	17.3
299.20013	3.3
313.21652	4.4
315.23172	12.6
317.24728	4.3
331.22644	4.0
333.24255	7.6
335.25787	19.8
365.23318	3.1
421.30878	10.0
439.31818	7.5
449.30219	13.8
457.32870	5.6
467.31570	21.7
485.32642	14.7
513.35461	11.5
515.37457	5.4
523.34088	3.9
531.36560	11.8
541.35278	37.6
559.36310	54.6
577.12091	3.0
577.37183	19.8
603.28632	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	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37786	2.1
53.03932	7.2
55.01860	7.5
55.05507	45.3
57.03417	6.8
57.07062	4.6
65.03919	6.6
67.05498	92.2
69.03407	4.3
69.06799	1.9
69.07064	22.5
69.50114	3.0
70.23895	10.9
71.04974	4.8
79.05486	50.7
81.03388	6.4
81.07047	100.0
83.04967	9.0
83.08606	23.1
85.06525	4.4
91.05456	50.2
93.06484	4.8
93.07033	56.5
95.04954	9.8
95.08598	63.1
97.06503	6.6
97.10167	22.1
99.00792	7.8
105.07021	46.2
107.04939	7.5
107.08582	41.3
109.02863	7.9
109.06478	5.6
109.10152	40.4
111.04418	6.3
111.08075	7.0
115.05455	2.9
117.07024	14.1
117.58865	2.5
119.08574	33.7
121.06491	6.7
121.10136	22.0
123.08094	5.5
123.11715	14.8
125.09633	21.2
127.25523	2.4
128.06204	5.3
129.06973	10.6
131.08543	25.9
133.06438	3.4
133.10115	45.8
135.08015	3.8
135.11684	17.7
137.13261	2.3
139.07497	3.5
143.08534	11.0
145.06491	2.6
145.10103	17.5
147.08054	3.5
147.11664	16.5
149.09566	4.4
149.13222	9.9
149.79514	2.9
151.11163	10.6
153.09157	2.5
153.12729	4.0
155.08572	3.0
157.10107	10.8
159.11659	14.3
161.09622	13.4
161.13222	7.0
163.11108	7.2
163.14766	6.6
169.10126	8.0
171.11707	6.9
173.11955	2.4
173.13185	12.2
175.14830	2.5
179.10712	5.6
181.10086	4.0
181.12222	5.5
183.11638	4.4
185.13248	9.7
187.14763	4.9
189.09126	6.8
189.11183	8.9
191.10645	3.0
195.11674	2.7
197.13246	5.9
198.77309	2.4
199.14848	3.7
201.16370	3.3
209.11455	2.4
221.13086	3.2
225.11205	13.0
227.12743	15.8
243.12122	3.2
243.21095	4.5
245.13799	3.3
259.20514	5.6
261.22083	22.6
277.21561	7.6
279.23117	7.4
283.15277	4.3
287.23550	3.5
291.19580	3.5
297.22015	4.6
299.14908	22.5
299.19946	2.8
313.21606	3.7
315.23236	7.6
317.24820	4.5
333.24155	4.3
335.25757	15.0
351.24933	2.8
421.30963	8.1
439.32016	6.6
449.30408	9.1
457.33151	4.9
467.31473	14.5
485.32455	9.7
490.15234	2.5
513.35687	12.2
515.37067	4.7
531.36725	13.3
541.35162	38.9
559.36206	44.3
577.37720	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	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01867	10.4
55.05505	46.2
57.03426	10.5
57.07064	7.7
67.05138	5.6
67.05499	100.0
68.24556	5.8
69.03401	5.4
69.07070	25.7
71.08622	8.4
71.54037	5.2
74.14059	4.6
79.05476	47.0
81.07047	87.3
83.04955	11.1
83.08616	34.3
91.05470	52.3
93.07037	63.8
95.04970	8.4
95.08599	62.6
97.10163	37.9
105.07025	48.1
107.08582	37.8
109.02901	7.1
109.10136	47.0
111.08095	7.2
117.07003	13.6
119.08567	29.9
121.06549	6.3
121.10146	23.4
123.08141	5.5
123.11692	21.3
125.09619	25.3
129.06970	10.5
131.08546	23.7
133.10109	34.2
135.11664	27.9
143.08568	16.0
145.10120	24.6
147.11688	18.8
149.09583	5.7
149.13164	6.2
151.11159	13.0
153.12708	8.0
155.08498	5.1
157.10117	7.1
159.11696	16.9
161.09578	13.3
161.13254	14.9
171.08028	6.0
171.11661	7.8
173.13249	14.0
179.10567	6.2
187.14783	6.5
189.09169	7.1
189.11169	7.8
197.13297	5.7
225.11172	16.8
227.12715	13.3
243.12236	9.1
259.20511	12.9
261.22195	23.9
283.15408	9.5
299.14761	25.8
315.23065	19.5
317.39182	5.2
335.25729	23.9
360.69769	5.3
421.31412	11.1
439.32202	8.6
449.30951	9.1
457.33124	8.0
467.31491	22.9
485.32529	14.8
513.35541	15.9
517.74969	5.6
531.36884	17.9
541.35303	49.2
559.36145	49.3
577.37524	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	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01862	5.7
55.05505	33.7
57.03428	8.0
57.07073	3.9
58.34379	1.9
64.38445	2.0
65.03929	6.2
67.05498	100.0
69.03410	5.3
69.07064	26.0
71.04970	5.9
71.26398	3.5
74.45630	2.2
78.44815	1.9
79.05484	52.8
79.34558	1.9
81.03404	4.3
81.07048	88.9
83.04972	9.9
83.08606	22.3
85.06527	7.2
91.05472	72.2
92.23067	2.0
93.07040	67.6
93.07634	3.3
95.04963	9.1
95.08598	58.0
97.06512	7.0
97.10177	14.3
99.00814	4.7
99.04345	2.4
99.08080	3.1
105.07021	58.5
106.61156	2.1
107.04931	5.9
107.08582	51.9
109.02850	3.9
109.06516	8.9
109.10146	62.1
111.04413	3.4
111.08094	5.5
113.06000	3.2
115.26238	1.9
117.07008	13.6
119.08572	28.8
121.06462	3.4
121.10138	25.6
123.08051	3.6
123.11680	12.6
125.09638	10.0
129.06993	4.5
131.08563	23.8
133.06403	2.5
133.10114	78.1
135.08110	2.7
135.11681	20.5
137.13272	4.0
143.08562	7.6
145.10078	15.6
147.07988	2.6
147.11687	11.9
149.02281	2.9
149.09618	2.3
149.13226	12.6
151.11168	36.7
153.12776	2.9
155.08594	2.7
157.10106	4.4
159.11708	11.0
161.09653	10.8
161.13261	9.8
163.11125	4.4
163.14760	4.6
169.10153	3.1
169.12196	15.1
171.11674	4.0
173.09633	2.4
173.13246	10.4
175.14839	3.7
177.05455	5.2
179.10631	12.9
183.11679	2.4
185.13191	5.6
187.14799	5.4
189.09174	3.3
189.11098	4.5
197.11652	5.1
197.13319	2.4
199.14771	2.6
201.16443	2.5
215.12733	17.6
225.11163	8.7
227.12823	8.7
243.12218	4.4
243.21063	6.9
248.29730	2.1
253.14262	13.0
259.20529	5.2
261.22116	27.8
277.21640	5.6
279.23141	5.8
281.13849	3.0
283.15332	2.6
287.23746	3.2
299.14929	25.9
315.23230	5.6
317.24792	5.7
333.24213	3.7
335.25842	18.4
363.25204	7.1
403.29312	3.0
404.29166	2.1
421.31100	3.3
439.32315	3.1
449.30286	3.5
457.33002	5.0
467.31485	12.0
485.32761	10.3
495.34695	2.6
513.35614	8.6
515.37573	2.8
531.36731	15.3
533.37750	2.5
541.35168	24.6
559.36017	26.9
577.37244	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	577.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01869	6.9
55.05504	11.0
57.03429	4.6
57.07081	1.9
59.04988	2.5
61.02929	1.5
65.03938	2.0
67.05497	24.4
67.55934	1.0
69.03421	21.2
69.07059	8.9
69.87997	4.0
69.88419	2.3
71.04983	3.6
73.02908	6.2
75.04450	1.7
77.03928	1.1
79.05483	34.0
81.03423	8.8
81.07049	29.7
83.04973	2.3
83.08602	7.2
85.02897	6.9
85.06532	3.8
87.04468	1.8
91.05463	34.7
93.07035	39.6
95.04953	7.3
95.08589	25.0
97.02882	3.2
97.06535	2.3
97.10139	2.4
99.04459	5.1
99.08100	1.8
103.05450	1.6
105.06304	2.1
105.07021	41.5
107.04909	1.5
107.08578	23.2
109.02870	15.0
109.06502	2.8
109.10143	9.0
110.03638	5.0
111.04407	5.5
111.08046	1.7
113.05985	9.9
113.09615	1.2
115.05431	1.2
117.06990	11.4
119.04953	2.2
119.08565	36.8
121.06495	1.1
121.10133	21.4
123.04418	1.4
123.08049	2.3
123.11726	1.5
125.09661	1.6
127.03896	7.5
128.06204	1.0
129.07004	5.8
131.08559	16.7
132.99541	2.9
133.10115	30.3
135.04393	1.7
135.08057	1.8
135.11679	20.2
136.26337	1.1
137.09590	1.6
137.13240	1.1
142.07765	1.6
143.08511	9.7
144.09241	1.3
145.02831	2.2
145.08591	3.9
145.10094	13.3
147.04420	3.2
147.08124	1.0
147.11670	31.1
149.09615	2.1
149.13260	11.0
155.08585	1.4
156.77403	1.0
157.10129	9.0
157.11259	1.3
159.11659	15.3
161.13248	20.3
163.11192	3.4
163.14786	4.6
165.12718	1.2
165.19876	0.9
169.10156	1.5
171.11678	12.4
173.13203	9.2
175.11255	1.3
175.14810	10.4
177.05519	3.0
177.12726	2.5
181.10188	1.2
183.11719	2.4
185.13240	9.8
187.14854	2.6
189.12770	2.0
189.16399	1.9
191.00105	5.1
193.12192	1.3
196.78839	1.2
199.14836	3.6
203.14272	1.1
209.01106	1.0
213.16386	3.0
215.17973	1.0
217.15860	2.5
217.19505	1.2
219.17529	1.5
231.17496	2.1
231.21103	5.3
241.19496	25.1
259.20551	72.8
260.20837	1.3
261.22195	1.6
271.20465	1.1
275.20038	2.5
277.21561	4.1
301.21698	2.3
305.21048	1.3
315.23203	1.2
333.24268	5.9
333.27719	1.3
337.21655	3.1
349.23712	3.2
351.25259	100.0
352.25589	2.9
355.22635	3.2
363.25162	1.5
367.22491	1.6
373.23691	2.5
375.25269	1.8
383.14307	1.1
432.07019	1.1
441.26926	1.5
449.19720	2.0
467.21109	1.3
485.21783	1.4
541.34875	1.2
559.25848	4.7
559.35632	1.0
577.26410	3.3
577.35413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
53.93453	1.3
55.01869	6.7
55.05502	11.0
57.03424	6.0
57.07072	3.0
65.03932	1.5
67.05495	29.4
69.03413	6.4
69.07059	9.3
70.46643	3.9
71.04982	3.3
73.02900	6.0
75.04473	1.5
79.05482	42.4
81.03419	8.6
81.07044	29.0
83.04954	3.0
83.08604	4.5
85.02885	5.9
85.06525	3.8
91.05464	35.3
93.07031	51.7
95.04953	5.2
95.08591	22.7
97.02885	2.0
97.06501	3.1
97.10146	2.5
99.04440	3.8
99.08108	2.8
103.05483	1.3
105.07019	42.4
107.04898	1.5
107.08582	29.0
109.02871	11.5
109.06505	2.7
109.10151	11.0
110.03661	3.3
111.04408	6.2
115.05448	1.8
117.07014	12.1
119.08562	36.3
121.06504	2.3
121.10126	24.2
123.11687	1.4
125.09632	1.7
127.03927	5.7
128.06152	1.7
129.06950	6.8
131.08545	20.4
132.99475	2.5
133.06464	1.6
133.10112	31.4
135.08060	2.6
135.11674	24.0
137.09503	1.7
143.08563	7.2
145.10091	17.2
147.11658	33.0
149.09589	2.6
149.13243	12.9
154.07796	1.5
155.01004	2.4
155.08499	1.9
157.10135	6.8
159.11652	17.2
161.09604	1.6
161.13243	22.8
163.11205	3.4
163.14780	4.1
171.11667	10.7
173.13231	9.1
175.11259	1.4
175.14786	11.3
177.05556	1.7
177.12721	1.5
185.13280	10.4
186.30548	1.5
189.11075	1.4
189.12679	2.6
191.00037	3.0
199.14824	5.0
213.16293	2.3
217.15831	1.7
219.17332	2.5
220.17906	1.8
228.46005	1.5
231.21002	7.2
241.19481	24.0
257.19284	1.8
259.20538	75.4
260.20929	3.2
261.22095	2.1
273.22186	1.4
275.20020	2.1
277.21533	8.9
301.21628	2.3
309.51440	1.3
315.22656	1.6
333.24268	9.2
349.23682	2.7
351.25259	100.0
449.19955	2.3
467.20840	2.4
483.04660	1.5
551.17242	1.6
559.25250	4.4
559.34497	1.7
577.26233	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	1.1
55.05503	1.6
57.03411	2.7
57.07043	0.6
61.02927	2.8
65.26998	0.6
67.05478	2.0
69.03422	6.4
69.07054	2.1
70.06587	1.2
70.42463	0.7
70.42802	1.6
71.04976	0.7
73.02899	1.0
79.05470	2.1
81.03413	4.4
81.07047	4.7
83.04965	0.8
83.08592	0.8
85.02899	29.1
86.09669	0.7
91.03925	1.6
91.05461	2.1
93.07005	1.9
95.04929	1.0
95.08588	2.0
97.02883	8.3
97.06531	1.0
99.04422	1.7
103.05480	0.9
103.91756	0.7
105.07012	3.1
107.04882	1.1
107.08598	1.5
109.02832	3.1
109.06506	1.6
109.10154	1.8
111.04411	0.7
115.03934	0.7
115.05444	0.7
116.77358	0.6
117.07021	0.7
119.04924	1.3
119.08553	1.2
121.10134	1.2
121.45297	0.5
123.00808	0.7
123.11622	0.7
125.05998	0.9
127.03913	7.0
129.06987	1.3
131.08575	1.0
133.06474	2.6
133.10127	1.0
135.04355	0.7
135.08057	0.9
137.05959	1.6
145.02876	0.8
145.04951	6.3
145.06114	0.7
145.10098	2.4
147.04420	1.6
147.08046	0.8
149.13187	0.8
151.03792	0.6
151.07428	0.8
153.05429	2.4
155.08487	1.2
159.04359	0.6
159.11613	0.6
161.05963	1.2
163.06154	1.4
163.07524	10.4
169.01297	1.2
172.37018	0.6
173.09599	1.1
175.03905	0.7
175.07571	0.8
176.04568	1.3
176.08286	0.8
177.05447	2.7
177.09109	1.8
177.12610	1.3
178.05850	0.7
179.07010	3.1
183.07953	0.8
187.11134	0.7
189.09000	0.8
190.06215	0.7
191.06993	9.9
191.10605	3.3
200.08203	1.4
201.09116	1.5
203.06993	4.5
205.08585	1.5
205.12228	3.5
207.06404	1.2
215.10651	6.0
217.08513	1.2
218.09433	4.3
219.10107	1.0
231.10356	1.2
233.11705	100.0
234.12003	1.4
251.12762	52.3
255.49191	0.6
257.07693	0.7
257.11905	1.5
263.12811	0.9
269.17532	1.3
275.12756	3.5
277.44675	0.6
287.05811	0.9
293.13806	1.1
327.12155	0.7
359.14648	0.9
377.15826	1.8
395.16867	0.7
413.21799	0.9
575.27075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05508	0.5
57.03438	0.2
67.01859	1.5
67.05504	1.2
67.09492	0.2
68.99776	1.3
69.03419	1.5
69.07054	0.6
69.87840	0.8
71.04979	0.3
73.02905	0.3
79.01833	0.2
79.05496	0.9
81.03413	1.0
81.07054	1.4
83.01340	0.5
83.04976	0.2
83.08611	0.2
84.74240	0.1
85.02892	0.4
91.05476	1.3
93.07020	0.9
95.04941	0.4
95.08621	0.8
97.02868	0.8
97.06530	0.3
98.20827	0.2
104.23817	0.2
105.07004	1.1
107.04930	0.3
107.08574	0.6
109.02875	0.4
109.06499	0.4
109.10130	0.3
110.01971	0.2
111.00768	0.4
111.04427	0.3
115.05446	0.3
117.06989	0.5
119.08569	1.0
121.06503	0.2
121.10126	0.4
123.04445	0.8
125.09631	0.4
127.03883	0.7
128.06213	0.2
129.06984	0.4
131.08548	0.7
133.10129	0.8
135.04402	0.2
135.08049	0.4
135.11635	0.3
137.02338	1.2
137.05942	0.2
139.03970	0.2
141.06944	0.3
143.08499	0.3
145.10121	0.8
147.04407	0.6
147.11682	0.4
149.05968	0.2
149.09557	0.4
149.57825	0.2
153.01814	100.0
154.02173	0.8
157.10118	0.2
159.11674	0.4
161.06032	0.3
163.03853	0.3
163.11162	0.2
171.02838	0.6
171.11769	0.3
173.13216	0.2
187.03851	1.1
191.00046	0.3
191.03334	0.2
191.07005	0.2
201.05463	0.3
205.06506	0.3
213.05519	0.2
219.02876	0.2
221.05948	0.4
223.07515	0.6
227.12692	0.2
229.04955	0.5
231.06541	1.2
233.06067	0.3
247.06012	3.4
249.05479	0.4
251.06953	0.5
257.18970	0.6
267.06476	0.2
269.08051	0.7
273.04016	0.4
275.20087	1.2
277.04913	0.3
279.06494	0.3
289.03253	0.2
295.05865	1.2
297.07532	0.4
298.04736	0.3
299.05566	0.3
311.05396	0.8
312.67313	0.2
313.07071	0.4
323.05554	0.6
327.04913	0.2
339.04904	1.2
341.06583	1.0
349.23648	1.1
355.04492	0.2
380.71655	0.2
381.96710	0.2
419.07584	0.6
421.09128	0.7
423.10400	0.3
431.07761	0.2
449.08572	2.4
526.14209	0.2
557.35114	0.3
575.34467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
65.03936	6.2
67.05489	2.5
69.03408	2.3
69.07059	1.1
69.26905	7.2
70.06580	1.9
72.08140	0.8
73.19427	0.8
79.07857	0.8
81.03403	1.4
82.04190	2.9
84.04501	1.2
84.08088	1.2
85.02896	4.5
86.09684	2.6
93.03368	1.1
93.71505	0.7
95.04936	1.7
97.02875	1.7
97.06516	2.5
97.58727	0.9
98.20827	1.8
105.07026	1.3
107.04923	0.7
108.02071	0.8
109.02840	1.1
110.03648	3.2
111.04436	2.4
121.02846	0.9
121.28300	0.7
125.05950	1.2
127.03873	1.1
137.02338	0.9
138.03117	2.0
142.02576	2.0
147.04417	1.3
153.01877	1.1
162.61319	0.7
163.03899	0.9
171.06572	4.0
179.03354	3.2
181.04945	100.0
182.05244	1.1
196.66360	0.8
253.91208	0.8
356.25098	0.8
571.08301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	5.3
67.05477	2.9
68.99799	1.0
69.03420	1.9
69.07053	1.1
69.69584	1.8
69.69989	5.6
70.06569	3.5
72.08123	1.4
79.05476	1.5
81.03399	3.0
82.04185	1.6
84.04496	1.2
85.02885	6.4
86.09699	1.8
91.05462	1.0
93.07030	1.6
93.85807	1.0
95.04933	1.9
96.12862	1.2
97.02902	1.7
97.06503	1.3
98.20840	1.2
99.04453	1.2
107.08589	1.0
108.02058	1.2
109.02851	1.7
110.03641	2.6
111.04462	1.5
123.00787	1.1
123.04430	1.0
127.03921	2.6
130.00400	0.9
133.02811	1.8
135.04343	1.2
135.08171	0.9
136.07610	1.1
142.02565	1.7
147.04381	1.1
151.03838	1.3
153.01860	1.3
171.06503	3.2
177.05388	1.1
179.03409	13.5
181.04939	100.0
182.05188	2.0
186.24594	1.0
193.86450	1.0
210.74123	0.9
234.14023	1.1
236.35815	1.0
272.69662	1.1
289.03174	1.5
405.06027	2.1
445.05588	1.8
571.08417	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	4.0
56.96559	42.2
71.52158	4.8
74.97623	2.5
76.58778	1.8
84.96017	22.2
85.46851	2.2
97.48094	1.8
98.97572	100.0
102.97037	2.7
110.97553	22.4
115.00706	3.3
116.78167	2.2
116.98610	54.1
124.99080	10.7
127.03829	3.1
128.98592	31.7
131.00198	2.3
133.01756	3.5
134.99638	20.3
136.07578	3.6
140.98586	11.5
143.00153	44.1
144.98048	4.5
145.01649	2.5
146.99637	26.3
147.04364	2.0
152.98553	3.4
155.00233	2.3
158.99626	37.3
161.01205	67.2
162.99117	7.4
163.03934	4.8
165.00758	3.9
170.99640	35.9
173.01216	4.6
174.99121	2.7
175.02669	2.8
177.00697	41.9
177.05431	4.3
179.02283	12.7
182.99594	15.5
184.64420	2.1
185.01219	7.0
185.02834	2.2
186.99025	11.6
187.02660	2.3
189.00676	41.6
189.02359	2.2
193.00256	2.5
195.01828	4.8
200.02275	2.3
201.00685	69.0
203.02330	11.6
205.00212	29.4
207.01793	6.9
210.55933	2.3
213.00636	4.4
214.91817	1.9
219.01736	71.7
221.03117	3.9
223.01208	17.6
227.02240	2.8
228.01656	2.2
229.00148	4.5
230.98112	2.9
231.01764	9.1
237.00572	5.3
237.02771	36.6
242.03445	2.1
243.01752	24.7
245.03198	3.9
247.01289	6.4
247.04872	2.1
248.99152	12.7
249.02824	4.7
255.01529	5.1
259.01144	2.6
261.02795	86.4
267.00241	15.3
272.99213	4.2
273.02856	11.0
279.03842	48.2
287.04398	6.2
289.02158	4.2
291.00223	19.5
291.03833	20.5
300.09964	2.1
301.02057	2.5
302.05432	5.2
303.00192	3.0
303.03851	2.7
305.05542	3.3
307.03439	5.1
309.01285	13.5
309.04657	4.2
318.83975	2.3
321.01273	8.3
321.04834	44.1
331.03333	3.0
333.04840	8.4
349.04321	3.8
351.02209	5.7
351.06006	15.3
375.02228	14.4
381.06992	15.2
393.03354	31.9
399.08139	16.2
411.04395	24.8
453.06882	2.3
469.08536	15.0
493.08493	5.4
511.09625	3.3
537.07715	14.2
555.08557	46.2
573.09650	54.9
573.24292	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	571.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01878	0.5
65.03934	7.7
67.05492	2.1
69.03420	0.6
70.06565	1.1
70.87558	0.9
82.04170	2.7
85.02897	4.6
90.53875	0.4
91.00834	0.4
93.03386	1.6
95.04942	1.3
97.02880	0.8
97.06516	2.1
107.08595	0.4
108.02084	2.0
110.03634	3.1
111.04430	1.2
123.00756	1.1
125.05977	2.2
129.76727	0.4
137.02251	0.5
138.03088	1.7
142.02596	1.7
153.05406	0.5
171.06496	5.3
179.45940	0.4
181.04932	100.0
182.05284	3.1
199.05762	0.4
265.55032	0.4
409.15323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	5.9
67.05487	1.4
69.03416	1.8
69.69276	1.5
69.69691	2.7
70.06567	1.4
78.27659	0.5
82.04185	2.0
85.02896	4.2
93.03381	1.2
95.04967	0.9
97.02887	1.0
97.06527	1.1
98.20759	0.8
108.02074	1.7
110.03638	3.0
111.04436	1.5
113.08912	0.7
123.00711	0.9
123.04403	0.8
125.05969	2.2
138.03117	1.0
139.03871	0.6
140.04713	0.7
142.02586	1.9
169.79367	0.6
171.06499	5.3
181.04936	100.0
182.05269	3.3
358.90500	0.6
482.95041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.6
56.23091	4.2
63.96719	4.1
65.03924	7.2
67.05492	71.6
69.07051	18.9
69.41796	4.0
70.71365	4.8
70.71711	14.4
75.66760	4.4
79.05078	5.5
79.05481	68.0
81.07041	77.5
83.08588	9.5
91.05466	73.7
93.07031	80.9
95.04950	14.7
95.08598	61.3
99.77132	5.2
105.07034	45.3
107.08568	29.8
109.10133	23.7
111.65730	4.6
117.06990	29.3
119.08543	27.7
121.10136	41.3
123.11639	5.6
129.06973	11.4
131.08551	28.2
133.10118	20.6
135.11664	15.1
141.06921	4.3
143.08511	12.6
145.10114	22.8
147.11659	11.3
149.13295	7.0
157.10106	12.2
159.11642	11.0
169.10146	7.2
171.11678	10.0
173.13287	6.8
187.14752	7.5
189.16365	6.9
199.14745	10.5
235.16853	9.9
291.19519	9.3
477.37488	5.9
569.27136	6.6
569.41754	100.0
569.55780	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.4
55.05487	0.9
55.93258	0.5
57.07064	7.6
58.06587	2.2
59.60274	0.5
63.35077	0.4
65.03947	0.5
68.04999	0.4
69.07069	0.5
69.56277	3.3
70.06580	17.3
70.31004	0.4
71.08625	3.3
72.08119	0.6
75.07754	0.4
77.03936	0.7
81.07034	0.9
83.08563	0.4
85.10141	0.6
86.28919	0.4
88.07613	23.7
95.04985	0.9
98.21493	0.8
102.08475	0.7
102.09167	17.4
105.03372	18.7
107.08601	0.5
109.24953	0.4
131.04890	1.0
137.15225	0.4
149.02336	10.5
149.05952	70.8
175.03894	0.9
181.06448	1.8
193.04930	12.6
212.23662	0.7
219.06654	0.8
239.57448	0.4
256.26312	52.0
257.26578	0.9
297.07529	15.1
341.10141	58.1
342.10406	0.7
570.34143	100.0
571.34448	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	571.0863
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
52.74337	0.6
55.01831	0.9
67.01833	1.0
67.05479	1.4
68.99786	3.2
69.03368	0.9
69.07052	0.9
69.80186	2.9
79.05457	1.1
81.03386	1.2
81.07021	1.7
85.02859	1.0
86.09652	0.9
91.05448	1.0
93.06983	1.0
95.04941	1.6
95.08569	1.3
97.02850	0.8
98.18027	0.6
98.21444	0.8
105.03372	3.3
105.06989	1.6
106.03317	0.6
107.08602	0.6
109.02843	1.6
109.10123	0.8
110.83206	0.7
115.05447	1.1
117.06983	1.2
119.04885	0.9
121.02808	1.8
121.10103	0.8
123.04410	1.0
124.01554	0.8
128.06149	0.8
129.06995	1.4
131.04912	1.5
133.10071	0.8
134.03624	0.7
135.04384	1.1
136.59023	0.6
137.02310	2.0
141.06961	0.7
145.06445	1.9
147.04378	2.0
149.02307	3.1
153.01816	35.0
155.04875	3.0
157.06400	1.8
161.02322	1.8
161.05940	1.2
163.03905	1.2
169.06470	0.7
171.04356	2.2
173.06020	3.3
183.04391	2.5
185.05942	1.9
187.03888	1.5
189.05490	0.9
191.03394	1.9
197.06007	1.2
199.03923	1.0
200.04532	0.8
201.05475	5.9
203.06973	0.8
211.03874	1.2
213.05434	14.9
229.04936	29.2
230.05507	1.0
231.06540	4.3
239.03468	4.5
240.04149	1.0
241.04947	9.2
253.04988	1.1
255.02927	1.0
257.04422	41.9
258.05179	3.8
259.05835	1.3
269.04507	6.5
273.03909	1.4
281.04407	0.9
285.03900	56.2
286.04684	21.2
287.05466	100.0
288.05722	1.4
297.03979	1.7
309.03925	0.7
405.06107	1.3
419.07584	2.8
461.05005	3.0
570.29535	1.3
571.08630	34.5
571.29144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1282
Annotation	2''-(4'''-Hydroxybenzoyl)-isoorientin
Peak:m/z	Relative Intensity
53.03938	0.7
55.01866	0.8
55.05471	0.5
56.05043	0.7
57.03437	0.8
60.08156	0.5
65.03938	6.0
67.05493	0.7
68.99772	0.9
69.03412	1.2
69.07041	0.4
70.06587	1.2
70.16634	2.0
71.01334	0.6
73.16222	0.5
79.01847	0.9
79.05476	0.7
80.03992	0.5
81.03415	2.0
81.07032	0.8
84.08140	1.1
85.02892	2.6
86.09680	3.4
87.01626	0.5
93.03300	0.4
95.04975	0.9
95.08595	0.6
97.02883	1.3
98.21469	0.5
100.11245	1.9
103.03943	0.8
104.05373	0.5
107.27341	0.5
109.02896	0.8
111.04454	3.0
117.03378	1.0
119.04942	0.7
121.02856	100.0
122.03207	0.7
124.99993	1.8
127.03893	0.7
135.04420	1.9
137.02330	7.4
137.03375	0.4
137.05956	0.6
139.03882	1.0
141.01868	0.6
145.02852	1.2
147.04343	0.6
151.03867	0.7
153.01828	0.8
161.02342	1.2
161.06018	0.5
161.09595	0.5
163.03966	0.9
165.01830	2.9
167.03453	0.6
177.01933	0.5
177.05475	3.3
179.03378	1.1
183.02850	2.6
184.07344	7.5
185.07675	0.9
191.03264	0.5
195.02919	1.0
201.05388	0.5
203.03304	0.5
213.05479	0.7
217.05005	1.5
219.06779	0.5
227.07042	0.7
229.04922	1.1
233.04391	0.5
243.06523	0.8
248.89990	0.4
253.04893	0.6
259.06058	1.5
261.03897	0.9
271.06024	3.5
272.06799	4.1
281.07996	0.4
283.06094	0.6
284.06583	0.7
286.04678	1.0
287.05508	3.2
299.05475	26.1
300.06238	16.0
301.06998	1.5
311.05472	16.2
313.07004	5.8
321.07620	0.5
323.05682	0.8
324.06235	1.2
325.06961	3.1
327.05014	1.6
329.06516	75.8
330.06702	1.4
339.04889	0.8
339.08548	3.8
341.06393	2.3
349.06995	2.1
351.07083	0.5
353.06500	12.8
359.07501	1.4
365.06161	0.7
367.08160	2.0
371.07507	1.2
377.06522	5.0
383.07751	2.4
395.07568	7.9
413.08640	8.4
431.09692	26.4
432.09247	0.6
449.10809	6.0
477.66589	0.4
533.10779	3.2
551.11804	8.3
569.12866	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	569.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69781	1.4
52.97895	1.6
53.03932	6.2
55.01867	4.2
55.05508	22.8
57.02327	2.2
57.03422	3.3
57.07074	1.9
65.03934	4.4
67.05499	68.1
69.03387	3.1
69.07059	21.4
69.63583	10.3
71.04984	2.8
79.05487	63.8
81.07049	76.4
83.04974	4.4
83.08623	11.0
85.06551	2.9
89.06032	3.8
91.05471	62.3
93.07034	71.9
95.04957	11.6
95.08598	52.4
97.06536	4.8
97.10166	6.1
99.08118	1.9
102.88655	1.7
105.07019	35.1
107.08598	37.5
109.06494	3.7
109.10148	16.4
117.07009	18.3
119.08566	30.0
121.06464	2.6
121.10133	37.5
123.08070	2.9
123.11705	6.5
126.92648	1.5
129.06992	6.4
131.08556	25.4
133.08597	3.4
133.10117	22.9
135.08060	4.9
135.11653	12.1
137.09679	2.8
142.07790	2.1
143.08565	7.9
144.87219	1.7
145.10086	13.2
147.11638	12.4
149.09671	2.7
149.13283	6.3
151.11136	2.4
153.63503	1.6
155.08501	1.7
157.10168	8.0
159.11655	8.3
161.09641	2.1
161.13277	6.0
165.12923	2.1
169.10158	3.4
171.11723	5.1
173.13283	6.2
175.14847	3.2
183.11700	3.2
185.13339	4.5
187.14879	3.2
189.16434	6.1
199.14854	6.1
202.45036	1.6
205.13788	1.6
206.25249	1.8
207.11844	1.8
217.15915	7.1
219.17458	1.9
235.16820	8.9
244.34271	1.5
261.22153	6.1
265.39398	2.1
272.57281	1.8
291.19574	4.0
335.25830	2.3
477.37518	3.4
551.40607	4.2
569.42017	100.0
570.42603	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	568.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14722	3.1
55.05498	7.5
57.03416	3.7
57.07064	4.0
65.03925	4.6
67.05486	12.3
69.03422	12.0
69.07059	8.3
70.06573	9.1
71.04974	6.4
71.48470	3.0
71.52395	3.0
72.08150	2.8
74.65224	3.0
79.05473	11.2
81.03392	5.0
81.07042	18.3
83.04970	29.2
83.08608	8.5
83.61761	3.1
84.08141	3.5
85.02889	31.8
86.07549	3.1
86.09701	7.0
91.05455	8.9
93.07027	19.8
95.04964	34.8
95.08572	11.7
97.02878	20.4
97.06525	19.7
99.04455	8.5
105.07021	26.0
107.08582	34.6
109.06503	36.7
109.07186	5.1
109.10145	42.4
110.07130	3.6
111.08023	5.5
115.07540	6.1
117.07043	4.3
119.08580	19.6
121.02880	3.8
121.10110	24.3
123.08041	8.1
123.11688	6.4
125.09584	3.9
127.03926	5.7
131.08537	15.1
133.10124	64.7
135.08025	11.2
135.11656	23.4
136.07562	3.3
145.04904	9.2
145.10095	10.0
147.11644	25.0
149.13274	24.9
151.11182	10.9
153.09087	18.6
158.10913	4.0
163.03896	4.1
163.11156	15.6
167.14297	11.8
171.06650	3.3
173.13242	67.0
175.14803	22.9
179.03368	6.1
181.04945	61.3
181.12117	3.1
191.14270	70.5
195.06572	4.8
197.04427	7.5
209.15353	100.0
227.16374	59.8
373.07471	3.7
516.15466	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	568.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.05506	11.0
57.07066	7.3
65.03922	3.1
67.05499	17.1
69.03426	3.6
69.07059	11.5
71.04983	2.4
79.05480	25.5
80.06250	2.8
81.07045	33.3
83.04982	2.9
83.08603	6.7
85.06519	4.0
91.05466	35.7
92.06257	1.9
93.07035	47.5
94.07830	1.9
95.04369	2.7
95.04952	37.4
95.08599	24.5
97.06503	3.6
102.69035	1.5
103.05460	2.3
105.07018	76.2
106.07816	3.8
107.08582	45.0
107.09310	2.8
108.09385	2.5
109.06541	4.6
109.10144	19.4
111.08068	2.2
115.05457	4.4
116.06224	1.9
117.07004	24.9
118.07811	2.2
119.08569	100.0
120.09438	7.5
121.06519	2.0
121.10130	35.4
123.08060	16.3
123.11655	7.5
125.09631	3.4
128.06210	10.6
129.06990	18.4
130.07782	8.9
131.08554	51.5
132.09389	9.6
133.06522	2.7
133.10118	54.7
134.10846	4.6
135.08104	6.5
135.11678	16.6
137.09593	5.7
138.10378	7.4
139.11201	2.4
141.06996	5.9
142.07755	16.5
143.08537	40.8
144.09325	15.7
145.10101	87.5
146.10910	7.0
147.08072	3.3
147.11652	24.0
149.09598	3.2
149.13229	4.2
151.11195	4.1
153.07028	2.7
154.07687	2.1
155.08543	15.8
156.09344	15.5
157.10114	49.2
158.10892	10.8
159.08061	3.3
159.11674	40.5
159.92642	1.6
160.12473	3.0
161.09627	6.9
161.13223	7.2
163.11205	2.9
163.14795	1.7
165.07008	5.1
166.07742	1.4
167.08566	7.7
168.09346	7.5
169.10097	26.6
170.10844	8.4
171.11667	34.6
172.12442	9.5
173.13266	31.8
174.13994	3.6
175.11200	2.0
175.14812	26.2
177.12770	6.4
179.08542	9.3
179.14250	1.3
180.09341	5.4
181.10110	16.0
182.10889	10.0
183.11664	30.7
184.12437	3.9
185.13213	25.6
186.14076	7.3
187.11150	2.0
187.14792	14.0
189.12732	3.9
191.14273	8.9
192.09357	2.4
192.15028	2.5
193.10130	7.9
193.15901	2.5
194.10789	8.9
195.11674	17.7
196.12431	8.2
197.13229	27.3
198.14020	6.1
199.14745	11.1
200.15388	1.9
201.12671	3.6
201.16365	7.9
203.14392	3.8
203.17618	1.7
204.15121	1.7
205.15932	2.2
206.10930	3.4
207.11659	12.8
208.12466	5.0
209.13217	25.9
210.13953	3.8
211.14795	17.5
212.15674	1.7
213.16293	8.0
214.13696	1.5
215.14348	1.8
217.15878	5.0
218.16612	2.0
219.17407	1.8
220.12521	3.4
221.13174	7.2
222.13927	2.3
223.14777	10.1
224.15564	5.0
225.16367	10.0
226.17050	2.9
227.17903	1.7
229.15865	1.9
229.63503	1.9
231.11748	2.0
231.17490	1.9
233.13242	4.1
235.14716	8.0
236.15480	1.6
237.16339	9.9
238.17007	2.7
239.17961	6.2
240.85562	1.7
241.19507	2.8
244.18349	1.5
245.13324	3.1
247.14778	3.7
248.15633	1.4
249.16382	5.0
251.18013	3.6
253.19501	2.3
255.17418	2.3
256.32324	1.7
257.19098	1.8
259.20590	3.5
261.16339	4.9
262.17398	1.5
263.17914	6.2
265.19507	5.3
267.21112	2.3
268.21790	1.5
270.19846	2.0
272.21332	2.6
275.17871	3.5
277.19479	5.0
278.20096	1.9
279.21088	2.7
281.19028	2.4
283.20596	4.3
285.22171	3.1
291.20966	2.9
296.21307	1.6
297.22028	4.5
303.65195	1.6
305.22739	2.1
320.24921	2.1
323.23456	6.7
335.23886	1.7
337.25192	3.7
338.25986	47.6
339.26361	1.7
415.29929	2.9
420.30075	2.5
430.32294	15.0
476.36649	15.6
550.41077	1.6
568.42645	30.5
568.56305	3.7
569.42627	1.8
587.29730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.0
53.03934	3.2
53.17145	0.9
55.01852	2.0
55.05504	6.3
57.07080	5.8
60.57232	0.9
65.03936	2.7
67.05499	14.0
69.03434	4.5
69.07058	8.8
71.45429	1.5
79.05482	14.3
81.07046	20.5
83.04972	3.0
83.08611	4.1
85.06526	2.2
91.05474	23.1
93.07034	26.3
95.04967	6.4
95.08598	22.2
97.06499	2.3
103.05460	2.7
105.07021	46.1
106.07811	0.9
107.05012	1.0
107.08580	23.9
109.06511	4.1
109.10140	14.8
109.76318	1.0
111.08048	1.5
115.05460	3.7
117.06989	9.6
119.08571	47.8
121.06498	2.6
121.10136	37.0
123.08045	8.1
123.11707	4.1
125.05968	2.3
125.09642	1.2
128.06226	5.5
129.06996	9.3
130.07765	4.5
131.08560	20.9
133.06470	1.8
133.10114	27.5
135.08067	5.3
135.11649	8.7
137.05887	1.1
137.09564	5.2
139.07553	1.6
141.06992	5.6
142.07759	14.6
143.08545	20.8
144.09329	3.8
145.10098	29.7
147.08026	10.1
147.11688	9.4
149.09608	4.3
149.13214	2.4
151.07533	6.1
153.06978	2.6
153.09019	1.1
154.07800	2.3
155.08543	8.5
156.09323	10.0
157.10118	33.0
158.10916	5.2
159.08046	1.9
159.11681	16.8
161.09605	3.4
161.13232	4.8
163.11142	4.9
165.06975	3.2
165.07671	1.1
165.09099	17.3
166.07785	2.3
167.08540	6.7
167.10672	5.2
168.09326	4.2
169.10115	17.1
170.10890	5.5
171.11688	20.6
173.09595	2.0
173.13245	19.0
175.11253	2.0
175.14803	4.8
177.09125	1.1
178.07695	0.9
179.08562	8.4
180.09424	3.1
181.10088	10.6
181.12245	4.3
182.10893	5.6
183.11665	12.6
184.12442	2.9
185.09592	1.8
185.13217	13.8
186.10547	1.2
186.14178	1.1
187.11192	1.7
187.14751	5.3
189.12770	3.1
191.08655	1.0
191.14250	2.3
192.09360	3.7
193.10141	11.4
194.10875	6.1
195.11678	16.0
196.12466	3.9
197.13223	12.2
199.14760	10.2
201.16335	2.7
203.08510	1.7
203.14310	6.9
205.10083	2.3
206.10860	5.1
207.11682	12.6
207.13779	3.8
208.12454	5.6
209.13240	17.9
209.15126	1.8
210.14026	2.1
211.14799	8.1
213.12875	1.6
213.16379	4.7
215.14304	2.0
217.10164	4.0
218.10976	2.2
219.11667	4.3
220.12485	4.1
221.13235	11.8
221.15384	32.1
222.14003	2.3
223.14784	8.2
223.26001	1.0
225.16353	3.6
226.17232	1.0
227.14320	1.1
227.17952	1.7
229.10281	1.1
230.10902	2.1
231.11694	3.1
232.12433	4.2
233.13254	7.4
233.15388	3.5
234.14078	2.2
235.14822	7.2
236.15485	1.0
237.16402	5.2
239.17920	4.5
241.19370	0.9
243.11765	2.6
244.12570	1.7
245.13213	5.0
246.14032	4.4
247.14825	6.5
247.16878	2.1
248.15561	2.2
249.16437	3.7
250.17227	2.0
251.17929	4.3
253.19508	3.9
256.12555	1.2
257.13263	3.5
258.14059	2.1
259.14804	3.9
260.15652	2.7
261.16367	6.6
262.17010	1.7
263.17761	4.9
265.19482	7.6
269.13242	1.2
271.14734	1.8
272.15436	1.2
273.16370	4.0
274.17047	1.8
275.17844	4.5
277.19373	5.1
279.17578	1.0
279.20978	1.8
281.18991	1.1
283.14813	2.0
283.20575	1.9
284.15668	1.4
285.16165	1.7
287.17761	2.4
289.19553	3.8
295.14804	1.4
297.16351	1.2
298.17291	1.2
299.17825	2.1
301.19498	2.6
303.20831	1.3
305.22629	1.5
312.18643	1.1
315.21100	2.2
317.22522	1.4
321.16385	1.4
321.22369	1.2
327.21088	2.0
329.22714	3.4
331.24213	4.4
339.20917	2.0
341.22406	1.5
342.23550	1.0
357.25726	4.7
361.25320	1.3
365.24652	2.7
373.25488	1.3
385.29019	4.7
401.28046	1.1
412.27695	1.2
425.28152	1.0
466.43527	1.0
473.34024	11.6
485.34122	2.7
491.33002	1.2
509.34573	1.9
529.38721	1.2
547.39166	11.1
565.40344	100.0
566.40784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79817	4.2
52.19123	4.0
53.65585	4.2
55.05497	14.8
57.07062	9.2
62.61745	3.6
64.91969	4.3
67.05499	40.0
69.07066	29.0
73.59293	4.5
79.05484	40.6
81.07046	51.8
83.08590	4.8
90.06657	5.0
91.05468	40.0
93.07043	60.3
95.04936	11.2
95.08597	47.3
97.06511	5.7
105.07023	72.5
107.08582	72.4
109.06475	11.0
109.10160	49.6
115.05476	4.8
117.06969	12.7
119.06177	4.8
119.08572	100.0
121.06428	4.3
121.09343	5.2
121.10133	72.7
123.08054	5.3
123.11685	18.1
128.06212	5.1
129.06982	14.1
130.07762	5.7
131.08530	39.8
133.10130	86.8
135.07965	9.5
135.11679	52.1
137.09596	6.1
139.11203	5.9
141.06992	5.5
142.07739	14.4
143.08517	36.3
144.09372	8.5
145.10114	67.8
147.11644	25.9
149.09618	7.5
149.13182	7.1
155.08549	10.7
156.09286	11.7
157.10133	48.3
159.08072	9.3
159.11687	37.9
161.09604	5.0
161.13243	7.3
163.14772	5.2
168.09244	4.5
169.10130	14.7
170.10860	10.2
171.11635	23.9
173.13280	30.6
175.14807	35.4
179.08498	8.9
181.10098	16.6
182.10876	5.4
183.11678	23.4
185.13206	16.6
187.14832	28.3
190.22833	4.8
191.14337	6.1
192.09392	5.0
193.10063	11.0
194.10869	8.2
195.11646	17.6
197.13217	23.0
199.14815	13.5
201.16359	15.2
207.11710	10.8
209.13197	21.9
211.14767	13.1
213.12654	5.3
213.16370	8.8
221.13275	15.5
223.14789	14.4
225.16377	7.6
227.14148	6.1
227.84680	4.7
231.11748	5.6
233.13248	9.7
235.04355	5.4
235.14767	14.1
237.16313	9.4
241.19545	7.5
247.14755	10.1
249.16324	6.3
251.17827	8.3
261.16461	9.9
263.18045	5.6
265.19498	10.5
283.20694	5.9
305.22775	4.2
361.25018	5.3
375.26801	5.7
381.26321	5.4
427.29764	5.5
549.40808	29.8
567.41815	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07567	2.0
53.94895	2.1
60.04441	2.1
64.03545	2.6
71.52445	2.8
107.04948	4.3
118.06516	16.7
119.85424	2.5
132.08057	6.2
136.63252	2.1
137.05963	2.3
139.03896	2.9
143.07350	3.9
144.08083	11.7
146.05998	61.8
146.27258	2.2
152.62048	2.3
159.09222	6.8
170.06038	3.0
188.07048	100.0
205.09702	33.3
285.46335	2.6
294.71381	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	565.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05484	0.6
57.03402	0.4
69.03407	1.4
70.06580	3.3
70.78284	1.3
70.78641	0.5
72.08154	5.3
78.04720	0.4
81.03399	3.1
85.02884	1.7
86.09650	0.9
87.05568	0.8
89.03902	5.1
91.05447	1.2
95.04957	5.4
95.08598	0.5
97.02873	0.7
99.04453	1.3
103.05443	0.7
105.06989	0.5
107.08620	0.8
109.02873	1.3
116.07092	3.4
117.03362	15.4
119.04880	0.8
120.08101	2.8
123.04314	0.5
123.08096	0.6
127.03979	0.6
133.10152	0.5
134.03587	1.0
135.04393	1.8
137.02321	0.6
137.05960	1.8
139.03865	1.2
145.02834	43.2
147.04364	0.5
149.05971	6.5
150.82315	0.4
151.07544	0.8
153.09113	1.3
163.03906	0.8
163.11136	0.6
173.13300	0.6
177.05450	100.0
178.05858	0.8
186.05434	1.2
191.14281	0.7
195.06557	0.8
198.76778	0.5
207.13696	0.6
209.15372	1.9
213.05257	0.5
219.14896	0.8
230.06714	0.4
230.17030	0.5
233.95346	0.4
255.06520	1.9
287.05435	3.8
294.26990	0.5
300.73755	0.5
321.09784	3.3
327.04919	6.8
337.11337	0.5
339.10806	4.0
403.10239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01859	4.3
55.05506	28.0
57.03430	15.6
57.07056	3.8
65.03937	4.7
67.05501	88.1
69.03416	9.9
69.07057	21.0
69.38195	22.1
69.38613	5.8
71.04984	6.7
79.05486	83.7
81.03400	7.9
81.07050	100.0
83.04961	17.7
83.08611	10.4
85.02890	4.2
87.04479	7.2
91.05473	42.6
93.07031	95.0
95.04948	9.4
95.08598	71.6
97.06524	9.3
97.10178	5.3
97.71790	2.8
99.08109	4.1
101.06042	2.9
105.07010	28.1
107.04943	4.8
107.08586	55.0
109.06514	5.7
109.10147	30.8
117.06991	14.0
119.08558	25.6
121.10129	99.9
123.08055	7.7
123.11697	15.9
129.06972	4.0
131.08539	39.1
133.06491	4.6
133.10110	20.8
135.08083	3.8
135.11696	16.8
137.09641	3.4
137.13264	4.9
139.11186	10.3
145.10120	11.6
147.11690	9.7
149.09593	34.3
149.13255	12.7
159.11684	10.5
161.13274	12.4
163.14833	8.2
167.10660	37.1
169.10048	5.0
173.13263	9.9
177.09061	4.4
185.11763	8.3
187.14835	5.8
189.16481	2.7
195.10159	10.9
213.11185	8.3
241.14394	6.4
243.21062	9.0
251.12668	3.7
261.22116	45.3
269.13812	8.6
279.23135	5.7
287.14871	58.5
301.97815	2.9
317.24774	7.8
335.25751	63.4
353.26602	3.1
359.21570	3.1
389.66165	3.4
427.32388	4.5
438.76828	3.3
445.32892	3.6
449.18097	3.1
449.24271	2.9
547.35431	14.7
565.38153	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	565.373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39574	2.8
53.03932	7.6
55.05505	23.4
57.03421	13.4
57.07071	11.8
65.03915	3.9
67.05499	100.0
69.03420	8.6
69.06801	2.9
69.07073	31.2
70.31108	3.5
71.05000	7.0
71.08630	3.6
71.53657	4.0
71.54115	5.9
77.03979	3.1
79.05486	81.5
81.03404	7.3
81.07043	75.1
83.04962	12.3
83.08600	12.1
85.02889	5.4
85.06507	4.7
85.10165	5.4
87.04455	4.3
91.05466	41.7
93.07034	91.1
95.04949	17.2
95.08601	53.8
97.06520	8.7
97.10164	5.8
101.05972	4.1
105.07018	34.0
107.04933	8.1
107.08582	57.8
109.02844	6.4
109.06480	4.7
109.09555	3.8
109.10156	34.6
111.04411	3.6
111.08030	4.0
117.07006	13.6
119.08601	21.1
121.10128	85.2
123.04398	9.4
123.08063	8.4
123.11705	14.1
129.06998	3.5
131.08545	37.7
133.10138	19.2
135.08064	3.8
135.11699	21.7
137.13203	6.9
139.11220	9.6
145.10121	12.5
147.11682	10.9
149.09602	27.7
149.13239	12.7
159.07997	3.6
159.11705	9.5
161.13232	5.5
163.14815	5.3
167.10663	31.1
171.11610	4.4
173.13246	10.2
175.14830	6.5
177.09094	8.2
185.11716	10.8
187.14766	7.2
195.10138	6.4
213.11082	6.4
235.13268	11.5
241.14381	4.3
243.21011	9.9
261.22104	47.8
269.13745	6.9
279.23120	5.1
287.14828	38.2
309.17017	8.3
313.27298	12.7
317.24719	9.9
335.25732	54.3
385.31467	3.2
387.94379	4.0
533.38837	3.8
547.36493	12.2
565.37939	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1548
Annotation	Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	5.1
57.03418	2.6
61.02915	1.8
69.03406	1.6
71.28191	4.3
85.02902	3.1
97.02901	2.3
99.29852	1.8
103.03922	2.3
107.04961	3.6
109.02847	2.1
119.04922	7.7
121.02861	43.6
121.06480	2.0
121.07406	1.5
139.03781	2.1
145.02809	5.3
147.04396	2.3
159.04381	1.8
177.01782	3.1
179.03363	4.0
185.86783	1.8
187.03868	1.9
189.01804	9.4
189.05432	2.5
190.02432	1.8
191.03394	4.8
195.02834	7.3
197.06142	2.0
201.05406	1.8
203.03368	16.0
203.92821	1.7
205.05127	2.2
207.02859	7.5
213.05550	2.2
215.03355	6.8
215.08699	1.9
217.04924	6.9
219.02876	4.4
221.04480	4.5
227.03314	3.7
229.04961	2.6
231.02841	3.4
233.04460	5.3
241.04890	2.6
243.02936	3.8
245.04410	2.9
265.50061	1.7
268.07336	5.4
273.03934	2.2
279.06552	4.6
280.07126	2.5
281.08038	5.6
283.05984	7.7
291.06458	2.2
292.07211	3.1
293.08041	5.3
294.05228	15.9
295.05972	74.0
295.09122	2.8
296.06705	7.0
297.07550	8.7
304.07391	2.0
305.08032	3.1
307.06021	53.1
307.09518	3.1
308.06659	15.7
309.07535	21.1
313.07037	4.5
317.08334	3.9
319.05972	7.1
320.06854	9.9
321.07556	43.4
322.04932	3.1
322.08072	8.6
323.05527	3.5
323.09119	6.2
325.07031	69.8
326.07501	2.3
329.08057	4.2
333.07547	23.4
334.08279	4.1
335.05307	2.9
335.09109	25.4
336.06094	5.4
337.07013	47.2
338.07291	2.5
339.08646	4.1
345.07578	12.8
347.09177	7.2
349.07028	41.6
349.10922	3.4
350.07916	3.1
351.08624	21.6
352.09021	2.2
355.08054	8.9
359.08990	3.6
361.07050	26.2
361.11121	3.2
362.07663	2.9
363.08688	23.5
365.10294	4.4
367.08078	8.8
373.07101	12.2
373.10965	2.2
375.08835	8.8
379.08099	67.2
387.08594	6.4
389.10309	4.6
391.08029	57.8
397.09155	16.9
399.08310	2.8
401.10126	3.2
403.08102	13.3
405.09525	3.8
409.09155	81.4
410.09460	3.2
415.08835	8.2
417.09488	3.1
421.08975	9.6
427.10248	100.0
428.10773	2.8
429.09940	3.1
433.09155	17.7
439.10474	8.8
445.10123	12.1
451.10248	10.3
457.11227	16.6
463.10123	8.0
469.11255	13.8
475.10721	10.4
481.11261	36.3
493.11130	18.7
499.12283	26.7
511.04889	3.7
511.12317	62.0
529.13477	36.3
547.14526	17.0
565.15179	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	565.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01862	2.1
57.03432	1.5
65.03930	0.9
68.99784	1.9
69.03417	6.6
71.05013	1.0
71.32500	1.6
73.02910	1.6
81.03402	6.4
83.01310	0.8
85.02901	9.0
87.00816	5.2
91.03875	0.6
93.03382	1.1
93.34364	0.6
95.04994	0.7
97.02885	4.6
99.04447	2.5
104.33173	0.6
105.01857	2.5
109.02859	6.7
111.04413	3.1
117.01805	0.6
121.02855	1.0
121.06528	0.6
121.27278	0.6
123.04429	2.6
127.03909	11.5
137.02336	2.6
139.03893	89.4
140.04239	1.0
141.06918	0.7
145.04977	1.9
151.03888	11.0
159.02872	3.2
163.03938	3.6
165.05525	0.6
167.03438	4.2
167.04684	0.9
169.06491	0.7
170.32436	0.7
177.05446	1.5
179.03407	2.6
185.05945	1.0
189.05353	0.8
197.06058	1.6
199.03897	1.0
201.05429	1.4
203.07117	0.8
209.06041	0.9
213.05424	2.0
215.06969	2.0
217.04929	1.1
227.06938	0.7
229.04971	2.0
231.06567	1.7
237.05440	1.1
241.04826	1.2
243.06522	6.0
244.01897	0.7
245.04305	0.7
251.39990	0.8
253.05025	1.7
255.06509	1.7
259.05908	3.8
271.05994	4.8
277.07037	3.0
283.05969	1.2
289.06882	1.5
299.05356	1.2
302.04370	1.0
317.06537	100.0
318.06821	2.0
322.72177	0.8
351.08978	0.8
367.08234	0.9
379.08069	0.9
391.07852	1.1
402.34045	0.7
403.08099	0.9
409.09183	2.4
427.10184	13.1
436.46579	0.7
484.86249	0.8
565.13062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.19029	0.1
51.64141	0.1
53.03926	0.2
55.01849	0.3
55.05493	0.2
56.30006	0.1
57.03419	0.2
59.04988	0.3
61.02910	0.2
67.01842	0.5
68.99778	0.5
69.03423	1.5
70.06561	0.5
70.12441	0.5
70.12865	0.2
71.04960	0.4
72.08118	0.3
73.02912	0.3
79.05459	0.3
81.03417	1.5
84.04489	0.1
84.08112	0.2
85.02900	2.7
86.09671	0.5
87.00809	0.5
87.04459	0.2
89.06015	0.7
91.05457	0.3
93.06976	0.1
95.04959	0.2
97.02877	1.5
98.21517	0.2
99.04465	0.7
99.05022	0.1
105.01861	0.3
105.07003	0.2
107.04933	0.5
109.02870	1.6
109.10072	0.2
117.01835	0.2
117.03315	0.4
121.02847	0.4
123.04417	0.2
126.32484	0.1
127.03902	1.6
129.01843	0.3
133.02890	0.2
135.04411	1.4
136.07603	0.2
137.02328	1.0
137.05928	0.3
139.03848	0.4
145.02815	0.5
145.04919	0.6
147.02785	0.2
147.04420	0.4
151.03888	0.4
153.01817	5.0
159.02875	0.6
159.04323	0.1
161.02350	0.7
161.05971	0.3
163.03911	0.2
167.03397	0.2
167.06961	0.2
171.02878	1.2
177.05463	1.2
179.03418	0.5
191.14336	0.2
197.04247	0.2
197.05972	0.2
201.05606	0.1
203.03421	0.2
205.05029	0.2
217.04979	0.3
218.05746	0.1
219.06584	0.2
229.04968	0.3
231.04877	0.2
241.05011	0.7
243.06458	0.2
245.04347	0.3
246.05080	0.2
257.04349	0.1
259.05954	0.1
267.99432	0.2
269.04376	0.4
271.05975	0.2
273.03845	0.2
274.04672	0.3
285.03888	0.4
287.05472	100.0
288.05841	1.0
302.04175	1.0
313.06998	0.2
315.04956	2.2
317.06537	11.9
318.06903	0.2
327.05060	0.6
329.06445	0.3
343.08075	3.6
348.14850	0.1
355.08093	0.5
357.09607	0.3
367.08081	0.9
385.09125	7.5
414.64389	0.2
514.92505	0.2
556.80682	0.2
565.15393	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	565.1337
Annotation	Theaflavin
Peak:m/z	Relative Intensity
55.01863	1.0
55.05500	0.3
62.60090	0.3
65.03933	1.0
67.01879	0.3
67.05495	1.2
68.99783	1.5
69.03406	0.9
70.06570	0.8
70.81075	0.7
70.81427	0.4
71.92493	0.3
81.03401	0.6
83.04965	1.0
85.02904	0.7
85.20150	0.3
86.09730	0.3
87.21715	0.3
89.27439	0.3
91.05485	0.6
93.03428	0.8
95.04948	1.2
97.02870	1.3
97.06480	0.4
98.32816	0.4
99.04425	0.5
105.03400	0.5
105.07009	0.4
107.04953	0.9
107.35333	0.3
109.02847	0.7
111.04429	3.7
115.05476	0.3
123.04417	7.5
123.71400	0.3
127.03894	3.0
133.06467	0.3
135.04414	0.5
137.05969	0.6
139.03889	100.0
140.04221	1.4
141.06946	0.7
145.02818	0.6
151.03889	12.6
153.05470	0.8
153.06792	0.4
155.04907	0.4
157.06451	0.4
163.03889	3.5
165.05504	0.6
167.07065	0.6
169.06400	0.7
171.04350	0.5
173.05869	0.4
175.07443	0.4
177.05411	2.0
181.04945	0.8
181.06458	0.6
185.05978	0.8
187.07483	0.6
189.05418	0.8
193.04930	0.5
195.06538	0.9
197.05980	1.5
199.03923	0.8
200.04588	0.3
201.05428	0.8
203.07037	1.1
209.05922	0.5
213.05431	2.2
215.07004	0.9
217.04958	1.4
225.05457	1.3
227.07042	0.9
229.04916	2.1
231.06532	1.8
237.05502	1.2
241.04832	0.9
242.05649	0.5
243.06461	2.4
245.04498	0.6
253.04970	1.0
255.06458	2.0
257.04413	0.6
259.05997	4.6
261.07523	0.4
265.04990	0.7
269.04379	0.5
271.05994	4.8
277.07004	3.8
283.06122	1.9
289.07050	1.5
305.07791	0.4
317.06967	0.5
317.10291	3.1
345.07550	0.4
363.08615	0.4
367.07922	1.0
375.08621	0.5
379.08014	1.3
391.08005	1.2
403.07990	0.8
409.09195	3.1
421.09323	0.8
427.10236	11.6
565.13330	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	565.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01858	2.1
55.05486	0.2
57.03426	1.2
61.02913	1.0
65.03929	0.7
67.01865	0.3
67.05466	0.5
68.99775	1.9
69.03421	6.4
70.79118	0.8
71.01323	0.5
71.04971	1.0
73.02892	1.3
81.03407	7.4
83.01328	0.8
83.04951	1.0
85.02892	10.3
86.09698	0.3
87.00813	5.1
87.87601	0.2
91.03948	0.6
91.05496	0.3
93.03388	1.0
95.04948	0.8
97.02874	4.9
99.04449	2.7
100.11273	0.3
103.56074	0.2
105.01854	2.7
107.04964	0.5
109.02857	5.6
111.04440	2.3
117.01821	0.9
117.03375	0.4
121.02837	1.0
123.04405	1.6
125.02366	0.4
127.03894	9.4
129.01811	0.7
132.49266	0.2
133.02866	0.3
137.02321	2.8
137.05984	0.5
139.03879	61.0
140.04231	0.8
141.05406	0.4
141.06973	0.4
145.02841	1.4
145.04915	2.1
147.02820	0.6
147.04359	0.6
149.02394	0.4
151.03879	7.2
153.05418	0.5
159.02875	4.1
161.06047	0.3
163.03900	3.0
167.03387	4.7
169.06445	0.6
171.04376	0.3
177.05463	3.5
178.20496	0.3
178.22101	0.2
179.03354	2.8
181.04875	0.5
185.05925	0.8
187.07564	1.0
189.05476	0.6
193.04950	0.3
197.04333	0.6
197.05978	1.4
199.03847	0.8
199.07576	0.3
200.04655	0.4
201.05457	0.6
203.07039	0.4
205.04874	0.4
209.06041	0.4
213.05536	1.3
215.03438	0.3
215.06972	2.4
217.04912	1.2
225.05405	0.4
227.07057	0.7
229.04924	1.5
231.04886	1.0
231.06546	1.0
237.05490	0.6
241.04913	0.9
242.05714	0.3
243.06485	5.2
245.04382	0.4
253.04982	0.7
255.06541	1.1
259.06018	2.9
261.07571	0.8
265.04880	0.5
269.07813	0.3
271.05927	5.0
277.07053	1.6
283.05923	0.9
287.05450	0.6
288.06259	0.9
289.06812	1.5
299.05515	1.0
302.04135	0.7
302.46906	0.3
310.94086	0.2
315.04959	0.4
315.08521	0.3
317.06500	100.0
318.06845	2.3
367.08047	1.2
379.07886	0.9
391.07724	0.4
403.08148	0.7
409.09021	1.1
419.22269	0.3
427.10175	9.1
428.10550	0.3
504.85794	0.2
565.12982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1182
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.17944	0.3
53.03943	1.5
55.01859	1.6
55.05499	0.4
57.03422	1.1
59.11336	0.2
61.02910	1.2
65.03922	0.4
66.01084	0.4
68.99771	1.1
69.03425	7.4
69.43758	2.5
70.06586	0.6
71.04973	1.2
72.08121	0.4
73.02915	1.7
81.03416	7.9
85.02897	11.9
86.09689	0.8
87.00319	0.3
87.00823	5.8
87.04469	0.4
91.03926	0.4
91.05453	0.3
92.02612	0.9
92.23013	0.3
93.03391	1.2
97.02888	5.3
99.04449	3.0
100.11259	0.4
105.01855	3.5
109.02876	7.0
117.01817	0.9
117.03400	0.5
120.08008	0.3
121.02855	1.2
127.03908	9.4
129.01851	0.9
135.04373	0.3
136.07568	0.6
137.02324	0.5
137.05893	0.5
139.03870	0.8
145.02847	1.1
145.04942	3.0
147.02872	0.8
147.04387	0.7
149.05885	0.3
151.03926	0.8
153.01808	7.5
159.02867	4.7
164.16690	0.3
165.01779	0.6
167.06937	0.3
173.06010	0.3
177.05473	1.9
183.03003	0.4
191.14204	0.8
201.05499	0.9
203.03308	0.3
213.03960	0.3
218.05608	0.3
228.04108	1.5
229.04929	3.3
231.04912	1.5
245.04437	1.0
246.05217	1.4
257.04449	2.4
260.03174	0.4
273.03937	1.7
273.48862	0.3
274.04712	4.2
284.03116	0.8
285.03879	3.7
287.05478	16.8
288.05869	0.4
302.04184	11.1
303.04904	0.3
315.04953	1.2
316.05624	0.3
317.06531	100.0
318.06857	2.1
343.07999	1.6
359.07928	0.4
367.07950	0.4
385.09174	3.3
565.15173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1178
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	1.9
55.01846	1.7
55.05493	0.9
57.03429	1.2
61.02919	0.8
65.03886	0.7
67.05489	1.2
68.99785	0.8
69.03422	6.0
69.80532	0.6
70.06570	1.2
71.52825	1.1
73.02904	0.9
81.03417	6.3
81.07034	1.0
82.54541	0.6
83.08510	0.6
85.02893	8.4
86.09692	1.0
87.00832	3.7
90.44730	0.7
91.05450	1.6
93.07007	0.8
95.04950	1.7
97.02882	3.6
99.04437	2.1
105.01853	2.1
107.04956	0.7
109.02856	5.5
109.10145	1.0
121.02824	1.2
123.04404	1.7
127.03903	6.5
127.36787	0.6
137.02328	2.0
137.05931	0.6
139.03886	1.3
140.90752	0.6
144.36900	0.6
145.04912	1.3
147.04378	1.1
151.03877	1.5
155.72269	0.6
159.02853	3.3
163.03958	1.2
167.03372	3.6
177.05466	1.5
179.03343	2.6
184.07285	1.0
197.04446	1.1
202.73160	0.6
205.93652	0.6
215.06979	1.0
231.04939	1.3
243.06532	3.6
271.06021	2.0
274.04739	3.2
299.05350	1.1
302.04282	1.5
317.06506	100.0
318.06918	1.8
492.85715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.0
55.05517	17.1
55.06086	2.9
55.72217	2.7
57.03432	19.1
61.02911	3.8
67.05500	58.4
69.03407	9.5
69.07053	21.0
69.17521	37.8
71.04984	7.5
79.05483	46.7
81.03391	12.2
81.07050	70.3
81.07516	4.2
83.04964	8.9
83.08620	15.1
84.08115	3.6
85.02893	7.1
91.05474	33.4
93.06490	3.9
93.07037	50.0
95.04944	12.3
95.08598	26.3
97.02868	5.5
97.06507	15.3
97.10157	5.3
98.20761	5.5
99.04472	3.3
99.08085	4.0
103.05468	4.8
105.07024	29.5
107.04950	8.6
107.08585	32.0
109.06502	5.7
109.09477	3.4
109.10119	15.4
111.08080	5.0
117.03314	3.9
117.07001	14.4
119.04913	9.8
119.08592	17.7
121.10142	16.5
123.08028	3.8
123.11726	3.3
129.06960	5.8
131.08548	19.5
133.06525	3.4
133.10130	20.7
134.30804	3.3
135.08020	3.4
135.11671	18.2
137.09607	3.5
145.10101	12.6
147.04390	21.2
147.11679	6.4
148.04736	3.7
149.09584	9.6
149.13261	21.0
157.10094	3.6
159.11711	27.3
161.13229	5.1
163.11223	6.3
173.13246	5.2
177.05496	6.0
177.12732	25.2
179.14243	5.7
195.13805	8.7
229.14294	11.6
251.16266	4.4
255.15906	42.6
257.19070	7.2
265.08304	3.0
269.17471	100.0
270.17889	4.1
275.20029	21.9
309.20538	4.2
349.23749	40.9
367.11456	4.8
367.24792	19.5
381.13339	4.0
382.13651	12.4
399.14346	4.1
400.14526	12.3
564.36957	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68937	3.3
54.75374	3.7
55.01849	10.1
55.05502	17.3
57.03429	18.3
57.29433	3.8
61.23531	3.1
62.35942	3.4
67.05499	41.0
69.03417	8.8
69.07054	23.4
70.06595	4.3
71.04977	6.4
79.05490	35.3
81.03403	5.7
81.07051	55.5
83.04977	10.3
83.08606	11.5
85.02910	7.6
91.05482	33.0
93.07029	43.1
95.04953	8.0
95.08575	19.9
97.02856	5.2
97.06525	17.9
97.10151	6.7
105.07015	21.4
107.04940	8.2
107.08586	28.1
109.06498	8.2
109.10139	15.0
111.08096	5.4
117.07030	12.0
119.04933	11.9
119.08587	19.6
120.05215	5.5
121.06479	4.3
121.10136	17.9
127.03922	4.4
129.06993	5.2
131.08577	18.0
133.10123	15.1
135.08038	4.1
135.11682	18.2
143.08566	3.9
145.10121	13.2
147.04396	34.8
147.08032	4.3
147.11728	6.0
148.04756	9.9
149.09604	9.9
149.13229	13.7
157.89163	3.4
159.11684	19.4
161.13260	7.2
163.11143	6.4
166.80685	3.4
173.13225	7.6
177.12752	18.9
179.14334	10.4
187.11172	3.2
195.13782	5.1
245.07979	6.0
246.08470	4.8
255.15936	39.2
257.18933	9.7
269.17444	100.0
275.20084	26.3
335.09213	5.1
336.09647	5.1
339.57956	3.6
349.23715	49.5
351.12170	8.9
367.11841	5.9
367.24829	15.0
368.11905	4.2
377.32855	3.9
382.13657	11.3
399.36716	3.6
400.14618	5.8
424.85419	4.1
442.96835	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.4
55.01846	9.3
55.05266	3.2
55.05507	36.4
57.03444	12.4
57.07043	4.3
62.84887	2.3
63.45938	2.4
65.03915	7.3
67.05497	97.1
68.05833	2.5
69.03432	13.3
69.07054	37.3
71.04968	13.2
71.05424	6.4
71.08620	2.4
73.02901	9.1
79.05483	73.9
81.03407	23.2
81.07045	100.0
83.04949	9.9
83.08225	2.5
83.08615	27.2
85.02890	7.0
85.06541	7.2
91.05470	51.7
93.07031	76.2
94.07339	2.9
94.63623	2.4
95.04953	14.1
95.08598	71.5
97.06519	18.4
97.10145	18.1
99.04415	4.7
99.08061	4.4
105.07019	51.5
107.04951	3.9
107.08575	49.6
109.02859	9.7
109.06515	6.9
109.10139	38.5
111.04427	10.6
111.08051	9.3
111.11739	3.5
117.06982	20.4
119.08577	37.5
121.10126	41.3
123.08029	7.5
123.11677	13.1
125.09639	12.4
127.03884	5.6
129.06999	13.3
131.08543	37.6
132.99559	3.3
133.10118	30.2
135.08043	6.3
135.11667	19.8
137.09602	8.2
139.11121	8.6
141.06924	3.1
143.08516	12.7
145.10112	27.5
147.07980	3.7
147.11682	24.7
149.09581	7.4
149.13234	12.1
155.08534	7.8
157.10098	11.3
159.11655	18.3
161.13202	11.5
163.11179	2.6
163.14787	6.7
165.12732	4.9
169.10063	5.5
171.11641	11.5
173.11862	3.1
173.13213	13.8
175.11209	5.1
175.14830	6.8
177.12698	5.0
181.10147	4.5
181.12123	2.4
183.11609	4.3
185.13243	10.3
187.14772	6.8
189.11143	9.4
189.16374	3.8
191.00099	6.1
193.12199	4.3
197.13167	4.6
199.14801	7.2
203.12680	4.7
211.13161	3.6
211.14922	3.4
213.14688	2.9
224.23108	2.5
227.12747	10.5
229.14406	3.2
239.16273	4.0
241.14368	3.7
241.19493	3.4
243.21008	3.0
245.22638	5.9
259.15341	3.3
259.20566	3.1
261.22110	8.5
263.23669	10.0
267.15900	15.6
269.17258	3.5
271.20538	5.1
277.21674	3.4
285.21722	3.4
287.23666	8.1
289.02274	3.3
289.21594	10.5
291.23001	2.9
299.23773	3.8
301.25153	8.6
303.23132	4.5
305.24783	3.7
307.69928	2.7
317.24643	3.0
335.25888	15.0
337.27145	8.4
361.27295	5.4
363.25400	4.7
373.27429	2.9
417.31308	6.1
435.32440	13.5
453.33533	15.8
471.34549	12.7
489.35446	4.9
527.37329	40.6
545.30487	4.4
545.38318	68.2
546.38452	3.4
563.28613	11.8
563.38837	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	563.1545
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02381	1.3
53.03943	1.6
55.01859	1.6
62.76793	1.1
65.03919	1.5
67.05527	1.2
68.99802	4.4
69.78031	6.1
70.06599	1.2
73.43496	0.8
74.88958	0.9
79.05482	1.7
89.67236	1.0
91.05473	4.5
95.04949	2.8
95.83550	1.0
98.20826	1.3
101.27181	0.9
107.04946	100.0
111.00845	1.5
111.04436	2.1
113.68433	1.2
119.04927	31.3
121.02879	2.9
123.04417	53.5
127.03937	1.7
131.04921	1.7
133.06459	3.6
135.04417	2.0
139.03896	24.7
145.06490	6.4
147.04384	35.4
149.02324	4.6
151.03853	5.8
157.06528	2.4
161.05986	6.4
163.03889	5.9
165.05476	7.4
165.06688	1.0
167.03398	9.3
171.04402	4.3
175.03899	3.5
177.05455	2.2
179.03384	5.3
181.06459	1.7
182.77788	1.3
185.05937	3.4
187.03838	1.5
189.05469	5.9
191.03360	7.9
193.04926	5.6
197.05891	1.8
199.07549	2.4
201.05518	2.6
203.03378	8.8
203.07021	2.2
207.06528	3.9
213.05486	3.1
215.03419	1.6
217.05013	1.9
227.06996	4.0
229.04976	4.1
231.06508	22.2
233.04364	2.7
239.07149	1.7
243.06589	3.4
245.04425	12.0
245.08124	3.3
255.06467	9.6
257.04401	13.9
257.08215	1.7
258.05130	2.9
259.06055	1.5
267.06589	4.3
269.04718	2.4
269.08072	4.5
271.06061	2.6
273.07550	10.8
275.05463	11.8
279.06485	1.1
285.07474	9.7
287.05487	30.7
291.08600	5.1
297.07703	1.9
299.05524	10.9
303.08423	2.1
393.09637	17.3
395.11276	3.2
403.87448	1.1
409.09186	19.3
411.10617	2.1
419.11230	5.3
427.10013	2.6
437.12509	1.7
439.10092	7.5
563.15662	1.2
563.33948	2.1
574.53009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
56.96544	3.9
57.03415	2.4
61.02155	1.7
61.02915	1.8
61.55420	1.4
68.99789	5.0
69.03414	5.9
71.51809	2.7
71.52197	1.6
73.02902	3.0
79.05479	1.6
81.03392	2.1
85.02895	12.1
89.03930	2.2
91.05475	8.5
95.04962	3.7
97.02892	6.0
98.97578	7.3
99.04475	1.6
99.83302	1.5
107.04945	100.0
109.02910	2.5
111.00805	2.0
111.04385	1.7
114.32123	1.4
116.98611	6.5
117.03305	2.5
119.01877	1.8
119.04928	48.7
121.02844	6.1
123.04417	24.4
127.03889	10.8
128.98601	3.2
129.10175	1.4
131.04910	2.0
133.03461	1.8
133.06483	4.6
134.99629	2.8
135.04393	8.6
137.05957	4.0
139.03882	30.5
145.02760	3.9
145.04915	3.2
145.06485	9.8
146.02292	2.1
146.99602	3.3
147.04384	51.1
149.01237	3.2
149.02338	8.7
151.03893	11.1
157.06482	3.5
158.99611	5.8
161.01244	1.6
161.02943	2.3
161.05978	6.4
163.03897	28.4
165.05479	5.7
167.02148	2.5
167.03397	15.6
170.99623	2.9
171.04382	9.3
175.04068	3.2
176.41855	2.0
177.00691	4.9
177.05360	8.1
179.03427	8.3
181.04953	2.8
181.06464	3.5
185.05930	4.3
187.04227	1.8
187.07582	2.9
189.00610	2.4
189.05510	7.6
191.03487	14.5
193.04927	4.3
197.05943	2.7
199.07465	2.3
200.04405	3.1
201.00662	5.4
201.05569	2.1
203.03453	7.9
207.06564	2.5
213.05423	6.0
217.05000	1.6
219.01750	6.4
220.06856	4.3
220.57076	4.0
221.06775	2.5
223.05482	4.3
227.07051	3.8
229.04893	4.7
231.06482	23.6
233.04449	6.1
237.02863	3.5
239.07042	3.0
243.01569	1.8
243.06555	8.6
245.04652	9.3
245.07939	3.2
255.06496	15.5
257.04468	10.8
259.06165	1.7
261.02744	8.4
267.00461	1.6
267.06549	7.4
269.04395	2.5
272.06448	3.8
272.56836	2.0
273.07602	21.0
275.05478	18.4
279.03952	3.3
281.07156	15.2
281.57224	2.0
285.07574	16.4
287.05508	23.8
291.00522	1.6
291.03928	3.0
291.08649	10.6
299.05701	7.3
304.08032	4.7
310.60217	1.8
311.06747	3.2
311.57104	1.7
393.09680	20.5
395.11215	4.1
409.09256	7.3
411.10501	3.2
563.03729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1541
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02377	0.9
51.25137	0.7
53.15007	0.7
55.01850	2.2
58.04671	0.7
65.03934	2.1
68.99781	5.2
70.97523	1.9
75.96181	0.7
79.05485	1.8
86.69490	0.8
91.05472	6.8
95.04958	3.2
105.07034	1.1
107.04944	100.0
111.00812	2.5
111.04440	2.4
117.07001	1.5
119.04932	48.5
121.02869	5.3
123.04414	27.0
127.03918	4.1
129.07076	0.8
131.04906	0.8
133.06491	8.0
135.04372	1.5
139.02802	1.7
139.03888	35.6
145.06459	12.4
147.04396	50.7
148.04793	0.9
149.02310	9.0
151.03899	13.3
153.06944	0.8
157.06473	4.6
161.05969	6.9
163.03873	6.0
165.05490	6.1
165.06828	1.2
167.03401	17.6
168.41716	0.8
169.06448	1.2
171.04408	10.7
171.05737	1.1
175.03888	2.6
177.05457	2.1
179.03398	9.7
181.04962	1.1
181.06493	1.9
184.57162	0.9
185.05977	5.8
187.03931	1.9
187.07544	4.3
189.05472	10.1
191.03355	14.1
193.04980	5.2
197.05872	1.0
199.07520	2.7
201.05482	3.1
203.03398	10.4
203.07114	0.9
205.04939	1.5
207.06511	1.8
210.36494	0.8
211.07686	0.8
213.05434	4.8
215.07071	2.5
216.07388	0.7
225.05515	0.9
227.07025	5.0
229.04961	4.0
231.06500	23.0
233.04396	5.9
239.07047	1.8
243.06494	8.3
245.04413	6.6
245.08051	4.5
251.05597	1.4
255.06485	14.7
257.04477	9.3
257.07922	1.5
259.05942	1.4
267.06476	8.9
269.04303	1.3
271.06003	1.1
273.07553	27.3
274.07999	0.8
275.05475	16.3
285.07520	12.8
287.05490	23.7
291.08636	11.3
299.05539	5.6
303.08545	1.8
308.08636	0.9
361.07086	0.9
379.08038	0.8
393.09668	19.6
395.11328	2.8
405.09903	1.3
409.09048	6.2
411.10913	2.9
418.34970	0.9
419.10779	0.8
427.10226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.154
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02374	0.9
53.03927	1.2
55.01869	1.8
65.03931	1.3
67.05473	0.9
68.99787	2.7
69.50903	1.2
69.51312	4.4
70.06570	1.4
72.08113	1.0
79.05469	1.2
81.03401	1.0
85.02904	0.9
86.09711	1.3
91.05474	5.9
94.64378	0.8
95.04977	3.8
97.02851	0.9
105.06975	1.1
107.04945	100.0
109.02853	0.9
111.00790	1.9
111.04440	2.4
115.05444	1.3
119.04929	35.7
121.02872	3.9
123.04417	42.4
127.03913	3.4
130.34586	0.7
131.04868	0.9
133.06483	6.4
135.04425	2.0
137.02359	1.1
137.05946	1.2
139.03885	24.2
143.04945	1.0
145.06474	5.3
147.04396	43.0
149.02338	6.4
151.03885	7.9
153.01778	1.0
157.06485	3.0
159.04381	1.0
159.08098	1.0
161.05994	6.3
163.03886	5.7
165.05505	6.4
165.06816	1.2
167.03372	10.0
167.07031	2.2
171.04369	6.8
171.05492	0.6
171.08031	1.0
173.05997	1.0
174.03204	0.8
175.03973	2.8
177.05466	2.6
178.45358	0.8
179.03371	7.7
181.05022	1.7
181.06483	1.7
185.05991	3.4
187.03850	1.9
187.07562	2.6
189.05461	8.4
191.03372	9.8
193.04929	5.0
193.08525	0.8
197.05974	2.2
199.07512	2.7
201.05482	2.6
203.03406	8.7
203.07031	1.0
207.06546	1.9
213.05505	3.8
215.03355	1.8
217.05072	1.7
217.08507	1.1
219.06610	0.8
227.07024	4.1
229.04927	4.0
230.05525	0.8
231.06505	22.8
231.10028	1.2
233.04509	4.1
239.07043	2.5
241.04849	1.4
242.05934	0.8
243.06570	5.4
245.04453	11.1
245.08015	3.7
251.07384	0.9
253.05064	1.1
255.06505	11.1
257.04413	15.1
257.07367	1.2
257.08221	1.3
258.05188	1.7
259.05942	1.4
264.13599	0.7
267.06497	4.7
269.04446	1.6
269.08093	2.6
271.05981	2.3
272.06833	2.6
273.07574	18.7
275.05493	12.2
281.07959	1.0
285.07532	11.6
287.02237	1.5
287.05460	29.6
291.08585	7.7
297.07675	1.4
299.05438	10.0
300.06213	6.0
303.08624	3.4
315.08566	19.7
329.06540	0.8
331.08041	1.3
391.08209	0.8
393.09641	17.1
395.11020	4.6
405.09955	1.2
409.09067	15.1
411.10721	2.7
419.10989	4.1
421.09213	1.4
427.10333	3.9
437.12439	1.8
439.10233	3.7
527.46130	0.7
545.14160	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1542
Annotation	Gambiriin C
Peak:m/z	Relative Intensity
52.38132	0.9
54.47429	0.8
55.01868	1.9
65.03928	1.4
68.99782	5.4
70.58387	1.2
70.58739	3.0
79.05486	1.0
81.72445	1.1
83.04989	1.3
85.86366	0.9
87.82284	0.8
91.05477	5.4
95.04952	2.5
105.07020	1.6
107.04944	100.0
111.00795	2.2
111.04416	3.0
116.90077	1.1
119.04932	47.1
121.02842	5.7
121.98454	1.0
123.04409	33.3
127.03892	4.1
131.04927	1.3
133.06487	5.1
135.04356	1.8
139.03886	36.8
140.04196	1.0
145.06456	12.1
147.04391	52.2
149.02322	8.5
151.03860	11.7
157.06505	4.5
161.05971	6.3
163.03847	6.6
165.05440	7.7
167.03381	18.7
169.06398	1.4
171.04359	10.1
171.05562	1.4
171.08022	1.3
175.03911	4.0
177.05463	2.0
179.03355	9.9
181.06509	3.0
183.08125	1.6
185.05988	5.2
187.03891	1.1
187.07503	2.7
189.05457	10.4
191.03345	14.6
193.04977	4.3
197.06021	2.4
199.07489	3.4
201.05432	3.4
203.03374	12.2
205.04982	1.8
207.06456	1.5
213.05487	3.4
215.03416	1.2
215.07001	2.5
227.07021	4.7
229.04941	4.8
231.06467	25.8
233.04358	7.3
239.07014	3.1
243.06493	10.2
245.04373	6.7
245.08031	4.9
251.05566	1.9
255.06491	14.9
257.04407	12.2
257.08279	1.7
258.05206	1.8
259.05963	1.4
267.06464	7.5
269.04410	3.5
271.06015	1.2
273.07553	26.9
275.05472	20.8
285.07538	22.2
287.02252	1.9
287.05469	32.5
288.05588	1.0
291.08594	14.5
299.05536	5.5
303.08661	3.3
303.97253	1.1
389.64218	1.0
391.42798	1.0
393.09644	20.3
395.11304	2.9
405.09628	1.8
409.09045	8.7
411.10544	5.2
427.10077	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01868	2.0
64.93583	1.0
65.03927	1.8
65.91169	0.8
67.05497	0.9
68.99783	6.3
71.07323	2.1
76.76799	0.9
83.04964	1.0
83.95341	0.9
90.00501	1.0
91.05498	6.0
94.84779	0.8
95.04962	3.4
105.06985	0.8
105.77410	0.9
107.04945	100.0
109.02866	1.5
111.00811	3.0
111.04444	4.1
115.05435	1.4
116.39834	0.9
119.04931	49.5
121.02851	4.5
122.44901	0.9
123.04420	35.4
127.03894	6.5
129.07018	1.0
131.04974	0.9
133.06462	5.9
133.21758	0.8
135.04408	3.3
137.02325	1.8
139.02800	2.2
139.03889	40.6
145.06473	11.7
147.04396	57.1
149.02353	7.7
151.03906	12.6
157.06528	4.6
161.05954	6.5
163.03899	8.5
165.05484	7.1
167.03394	19.7
171.04367	11.5
171.08044	1.4
175.03859	4.2
177.05453	2.8
178.58504	0.8
179.03368	12.6
181.06392	2.2
183.07976	1.2
185.05965	4.8
187.03864	2.0
187.07472	4.5
189.05421	10.8
191.03363	13.9
193.04974	5.2
197.06046	1.9
199.07544	2.8
201.05479	4.4
203.03349	12.2
205.04999	1.6
207.06487	3.3
213.05455	4.1
215.03412	2.2
215.06966	1.7
217.04958	1.9
225.05443	1.6
227.07097	5.6
229.04916	5.0
231.06512	25.8
233.04413	9.1
239.06995	2.0
243.06503	11.3
245.04369	10.2
245.08086	4.9
251.05400	2.4
255.06502	19.9
257.04404	10.8
257.08157	2.1
258.05402	1.3
259.06049	1.9
267.06494	9.7
269.04507	3.3
271.05994	3.0
273.07544	26.4
275.05469	20.9
285.07541	22.1
287.05475	33.3
291.08630	19.7
299.05487	5.5
303.08765	4.7
311.05621	1.2
319.01706	1.0
372.64447	1.2
393.09641	26.5
395.11264	4.3
405.09830	1.3
409.08929	8.7
411.10547	4.4
419.11075	2.0
421.09009	1.3
427.10172	2.5
439.10287	1.4
490.81033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.7
52.25471	1.6
53.03936	7.6
55.01871	4.5
55.05504	24.8
57.03435	9.4
57.07053	2.8
58.93068	1.9
65.03920	3.6
67.05499	88.6
69.03405	3.2
69.07064	25.9
71.04990	24.7
79.05486	68.8
79.83528	2.1
81.03410	1.9
81.07050	100.0
83.04964	9.2
83.08613	16.5
85.06560	5.0
90.43144	2.1
91.05469	46.3
92.52503	1.9
93.07035	84.5
95.04968	11.0
95.08598	83.8
95.09064	1.6
97.02876	2.2
97.06523	7.6
97.10165	3.9
99.04417	2.9
99.08087	2.8
105.07016	34.1
105.07687	2.1
107.04964	8.7
107.08578	56.5
109.06484	2.3
109.10141	24.6
111.08086	4.1
117.06992	15.8
119.08568	25.6
120.61814	1.6
121.06502	5.6
121.09399	1.4
121.10138	37.7
123.11694	14.6
125.05956	2.9
127.07551	1.9
131.08583	16.1
133.10104	30.6
135.11681	55.1
136.35480	1.9
137.13269	4.2
145.10109	35.6
147.11674	8.1
149.13281	10.9
149.14273	1.8
151.11157	5.2
157.10085	2.1
159.11700	11.5
161.13272	6.1
163.11169	53.5
163.14827	5.2
171.11684	2.7
173.13254	9.5
175.14844	3.2
177.12819	2.7
181.12233	12.4
183.13812	6.3
187.14848	3.9
195.13756	2.9
219.15700	2.2
227.12759	96.3
229.67328	2.8
241.19731	2.1
243.21046	10.6
261.22110	30.6
277.21594	2.5
279.23209	2.4
283.15332	36.2
285.16928	4.3
317.24570	10.7
335.25760	72.2
517.39276	8.8
529.38977	14.1
543.36737	37.3
559.83411	2.0
561.41724	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01861	3.7
55.05509	17.0
57.03424	8.3
57.07063	3.4
63.84412	1.1
65.03933	3.6
67.05499	53.6
67.51296	1.3
69.04566	1.3
69.07059	10.6
69.85313	2.1
69.85728	4.8
71.04985	3.2
71.08609	1.6
79.05019	1.6
79.05483	43.0
81.03408	3.7
81.07046	58.2
83.04962	4.1
83.08614	11.0
83.85061	1.1
85.06542	1.6
87.79221	1.3
89.45618	1.1
91.05468	20.3
93.06423	1.2
93.07034	59.4
95.04950	8.6
95.08595	65.4
97.02869	2.9
97.06515	5.2
97.10144	3.5
99.04453	4.4
99.08021	1.3
103.05449	1.3
105.07019	15.7
107.04961	9.9
107.08581	41.1
109.06493	2.7
109.10147	16.7
111.04420	1.9
111.08090	1.6
113.09563	1.2
117.06978	11.0
117.27300	1.2
119.07809	1.6
119.08575	17.2
121.06490	4.9
121.10132	22.7
123.11691	5.7
125.06011	2.3
125.09566	2.0
127.31806	1.2
129.07031	2.2
130.07800	2.9
131.08542	7.7
133.10138	11.7
135.08099	1.8
135.11676	56.5
137.13298	2.0
139.07507	2.3
140.03581	1.1
143.08624	1.6
145.10104	30.4
147.11682	5.5
149.13205	6.7
152.39302	1.3
153.12846	1.7
159.11673	4.5
161.13243	4.2
163.11165	53.3
163.14830	3.3
173.11989	1.4
173.13205	7.3
175.14725	1.4
181.12279	8.5
187.14807	3.3
201.16377	2.2
209.11671	2.8
211.27281	1.2
227.12758	100.0
233.22662	1.2
243.21117	4.9
243.89351	1.7
261.22116	27.8
279.23181	1.6
283.15356	41.1
287.23691	1.4
317.24844	11.5
335.25781	52.8
469.33105	2.6
484.26962	1.4
543.36737	30.2
544.36517	1.5
557.65436	1.6
561.38336	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	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01861	7.0
55.05508	30.8
55.76623	2.6
57.03428	11.6
57.07065	5.6
65.03917	2.5
67.05500	99.8
69.03408	2.3
69.07070	24.9
70.23888	10.3
71.04973	5.6
71.08636	2.5
79.05486	70.2
81.03410	9.1
81.07048	100.0
81.07540	5.2
83.04970	9.4
83.08610	16.7
85.06532	3.7
85.10165	2.3
91.05473	55.3
93.07031	94.0
95.04965	16.0
95.08602	85.7
97.06544	7.4
97.10147	6.9
98.21445	2.7
99.04463	4.0
99.08144	3.4
105.07020	42.3
107.04948	8.8
107.08581	63.6
109.06490	6.0
109.10148	34.7
111.04430	5.7
111.08063	2.4
117.07022	25.7
119.08575	38.0
121.06502	9.3
121.10133	49.5
123.08097	4.0
123.11713	15.0
125.05991	3.6
125.09595	3.6
129.07010	10.8
131.08565	34.4
133.10104	27.4
135.08061	5.1
135.11682	63.0
137.09555	3.3
139.11185	2.4
143.08549	6.5
145.10107	43.0
147.08028	4.5
147.11650	16.2
149.09570	12.0
149.13251	12.0
151.11172	6.0
151.76746	2.8
153.12865	2.8
159.11713	12.4
161.09590	3.5
161.13257	10.5
163.11162	57.1
163.14819	5.0
165.12819	2.6
171.11708	3.3
173.09641	6.9
173.13242	8.8
173.79080	2.3
175.14743	4.0
177.12692	3.4
181.12228	10.6
185.13184	2.8
187.14787	3.5
191.10677	12.6
199.14751	2.8
201.16353	3.0
209.11694	9.7
227.12767	81.7
243.21085	10.8
260.50537	2.5
261.22083	34.4
275.20215	3.3
283.15387	46.3
312.47971	2.5
313.67023	2.9
317.24710	14.3
335.25784	76.4
339.22980	3.1
469.32785	4.9
487.34164	2.8
525.35553	7.0
543.36816	63.7
561.37769	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	561.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96318	1.8
53.03945	2.0
61.02930	2.0
65.03922	4.1
67.05496	2.5
68.99774	2.2
70.06573	4.9
70.12443	4.0
70.12829	3.3
72.08133	1.8
79.05480	4.6
81.03414	4.2
83.04981	1.6
84.04486	2.4
84.08105	3.3
85.02884	3.0
86.09680	5.1
89.03877	2.6
91.03941	2.2
91.05464	38.0
91.47042	1.6
95.04967	2.1
97.02862	2.9
105.07021	2.6
107.04959	8.8
111.04439	2.9
119.04926	47.2
120.08035	2.2
123.04419	7.9
127.03843	3.3
127.79213	1.5
129.10207	1.8
133.06476	1.9
135.04393	9.3
137.02383	1.7
137.05995	2.9
139.03873	5.0
145.02840	2.5
147.04401	39.5
149.02348	2.7
151.03914	3.5
157.03960	3.4
163.03891	23.5
175.03885	56.2
177.05383	2.4
179.06981	2.6
205.67535	2.0
207.06494	100.0
231.06473	3.3
245.04448	3.0
257.04614	2.1
271.05865	8.6
283.05936	7.4
287.05457	5.3
409.09006	6.5
543.14667	2.2
561.15393	2.6
561.31549	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	562.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.01861	0.4
57.03433	0.8
59.85511	0.2
60.04506	0.3
67.05496	0.5
68.99777	0.6
69.03082	0.4
69.03421	3.5
69.07063	0.2
69.29659	0.6
69.30083	1.6
70.06583	0.6
72.08141	0.3
73.02917	0.3
75.04443	0.3
79.05480	0.3
81.03410	1.0
81.07042	0.7
84.08150	0.3
85.02898	7.9
86.09701	0.5
87.00822	25.7
87.04463	2.3
97.02883	100.0
98.03226	0.6
99.04465	0.3
101.02306	0.3
105.01855	15.0
105.07011	0.4
107.04951	0.7
107.38066	0.3
109.02886	0.4
113.32585	0.2
115.03928	2.7
119.04935	0.5
120.08025	0.2
123.04417	0.5
127.03932	0.5
133.04967	0.8
133.06470	0.3
137.05946	0.8
139.03923	0.5
143.03416	0.6
144.06590	0.4
144.29092	0.2
145.02882	0.3
145.04921	0.3
147.04390	0.4
151.03836	0.4
162.07597	0.7
163.03897	0.3
165.09125	1.1
177.05466	0.3
189.09052	0.5
201.03923	39.9
202.04214	0.6
207.10152	0.2
215.10686	0.3
219.04987	9.4
225.09195	0.2
231.10168	0.2
236.07565	1.5
236.85625	0.2
243.10217	1.1
243.15887	0.3
314.36197	0.2
345.08240	2.4
363.08942	0.9
439.07684	0.2
451.76535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84861	2.7
55.01851	5.1
55.05508	19.3
57.03434	7.2
65.03937	4.9
67.05502	30.2
69.03416	7.4
69.07059	17.2
70.06570	2.8
70.08575	12.9
71.04984	3.9
79.05495	21.0
81.03411	32.0
81.07048	23.4
83.04967	8.7
83.08620	16.5
83.09066	2.6
85.02893	9.7
91.05481	32.0
92.68447	2.7
93.07034	21.1
95.04960	17.3
95.08568	9.6
97.02886	10.5
97.06519	4.2
97.10148	12.7
105.07024	19.4
107.04956	16.1
107.08582	11.7
109.06421	3.1
109.10110	6.9
111.08076	3.5
111.34471	2.8
115.05443	3.7
117.06982	7.2
117.13252	3.5
119.04928	26.0
119.08571	15.0
121.06506	3.8
121.10168	6.3
123.04418	3.8
123.08063	3.3
125.09612	5.7
129.07008	9.2
129.48270	3.1
131.04884	2.9
131.08545	8.5
133.06493	5.2
133.10063	5.5
137.09615	3.1
143.08572	3.9
145.10100	6.3
147.04399	70.2
147.08032	5.4
147.11601	3.8
149.09628	4.0
157.10124	6.4
165.09169	3.0
167.07050	8.6
175.11142	4.0
181.04967	6.6
189.11154	6.5
193.12212	14.2
211.13231	8.9
219.08017	4.8
223.13310	16.6
230.05528	4.0
245.08073	34.9
249.08965	3.1
263.59555	2.7
267.15903	29.3
273.18427	7.7
285.16928	18.5
291.19531	89.7
293.08118	3.2
321.11124	3.8
323.09192	3.1
347.22330	3.6
353.10068	10.5
365.23230	100.0
366.10999	3.6
367.11816	8.4
381.13394	13.8
399.14508	17.2
417.15668	3.8
459.27289	10.1
477.28073	12.3
536.58429	3.2
563.18860	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.4
55.01865	17.3
55.05505	25.2
55.63269	1.7
57.03190	1.8
57.03429	20.2
57.07065	3.4
61.02904	5.1
65.03925	4.1
67.05498	86.7
68.05830	1.4
68.68069	1.4
69.03422	45.8
69.07056	18.3
70.42979	5.5
71.04983	9.4
71.08621	1.8
73.02514	2.5
73.02910	42.9
75.04461	2.7
78.66122	1.5
79.05483	57.7
80.19669	1.3
81.00977	1.3
81.03409	33.6
81.07044	100.0
82.07398	1.6
83.04961	13.9
83.08603	13.0
85.02890	29.5
85.06515	2.9
91.05470	46.7
91.77303	1.4
93.03378	2.8
93.07034	64.3
94.07342	2.1
95.04950	10.0
95.08595	71.1
97.02876	12.6
97.06506	6.4
97.10146	4.1
98.20865	1.7
99.04446	18.3
99.08098	2.5
103.03929	2.0
105.07012	32.5
107.04943	4.3
107.08578	39.1
109.02865	55.0
109.06490	4.2
109.10144	36.7
110.03648	8.7
111.04426	48.5
111.08061	4.2
111.11659	2.0
115.05438	2.0
117.07025	12.8
119.08568	27.9
121.10129	34.7
123.08054	4.0
123.11712	18.3
125.09615	5.0
127.03903	30.1
129.06972	5.6
131.08548	24.8
132.99539	21.9
133.10098	19.6
135.08023	1.8
135.11673	26.3
137.09583	2.7
137.13199	4.7
139.11134	2.1
143.08501	1.8
145.10103	17.7
147.08084	1.7
147.11668	17.7
148.98979	2.3
149.09602	2.6
149.13222	15.9
151.00607	7.6
151.11168	3.3
153.12685	1.7
155.00087	1.7
155.08572	1.8
157.10057	3.5
159.11664	14.5
161.09642	1.8
161.13228	14.5
163.11166	5.5
163.14804	5.3
165.12732	3.5
171.11693	5.0
172.99023	4.9
173.09573	1.9
173.11861	2.7
173.13239	13.9
175.14838	5.9
177.12688	3.0
177.16191	2.2
179.14310	3.4
185.13210	3.4
187.14832	7.5
191.00075	27.8
191.10748	2.1
191.14279	2.5
193.12128	1.9
193.15950	1.6
197.13297	1.8
201.12663	1.5
201.16316	2.2
209.01155	7.7
209.11731	4.4
225.16359	1.5
227.12646	2.3
241.19531	3.0
243.21021	11.4
245.13817	2.2
259.20566	4.0
261.22095	35.3
265.03833	2.3
267.15921	3.4
273.21863	2.1
277.21579	3.2
282.41101	1.5
283.15506	3.7
285.16705	1.9
285.21829	1.6
289.21484	1.6
299.23743	2.3
315.23083	2.1
317.24811	2.6
333.24271	3.0
335.25803	29.7
369.24164	1.7
446.99368	1.5
451.32300	2.1
525.34924	2.5
543.36774	15.5
561.27014	52.0
561.37311	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.2
55.01859	2.8
55.05515	26.8
57.03436	14.0
57.07061	3.5
60.64050	2.7
65.03927	5.9
67.05499	100.0
67.76759	2.7
69.07053	18.9
69.28594	14.5
69.29028	13.8
71.04986	7.1
77.03919	3.2
79.05486	92.9
80.11713	3.3
81.03402	11.9
81.07050	98.7
83.04989	17.0
83.08595	11.6
85.06537	4.1
91.05473	65.9
93.07038	90.9
94.28533	2.9
94.67156	2.9
95.04963	21.3
95.08601	63.1
97.06519	9.4
97.10141	5.5
98.14914	2.5
98.20699	5.0
105.07020	44.6
107.04946	10.1
107.08583	37.3
109.06509	9.1
109.10161	17.0
111.08075	4.4
117.06997	12.8
119.08579	36.6
121.06500	3.9
121.10138	22.9
123.08025	5.5
123.11673	6.4
125.09620	3.3
129.06993	13.5
131.08540	16.2
133.10120	21.9
135.11652	16.5
137.13234	4.4
143.08537	11.3
145.10088	24.3
147.08134	3.8
147.11650	37.3
149.13255	10.9
157.10127	4.5
159.11694	11.2
161.09596	5.3
161.13216	13.3
163.14836	6.3
169.10077	3.7
171.11681	26.9
173.13245	6.9
175.14693	3.8
187.14740	3.6
189.12727	16.6
199.14830	2.9
207.13823	21.4
243.21016	4.6
261.22049	14.7
279.15924	5.8
281.17465	55.1
317.24765	3.9
335.22076	4.5
335.25775	50.4
390.25409	3.2
432.27548	3.2
449.34146	5.2
541.38971	71.5
559.39667	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.6
55.01852	7.9
55.05233	2.5
55.05503	38.3
57.03421	4.0
57.07066	2.7
59.03186	1.7
59.04988	4.3
67.05495	64.5
69.03418	3.5
69.07059	18.8
70.12484	5.8
71.04968	3.4
71.96774	1.9
79.05021	2.1
79.05486	53.0
81.03408	5.0
81.07049	61.3
81.07529	3.4
83.04978	9.0
83.08209	2.1
83.08617	18.9
85.02889	2.6
85.06523	4.1
91.05466	44.2
93.07030	52.9
95.04983	8.9
95.08592	36.5
97.02894	3.9
97.06508	7.4
97.10155	22.8
99.00807	5.4
105.07020	43.5
107.04951	6.4
107.08587	39.1
109.02856	6.4
109.06502	4.2
109.10136	22.7
111.04352	2.1
111.08070	7.0
115.05414	2.7
116.06213	1.9
117.07001	18.8
119.08562	28.8
121.06458	5.5
121.10108	21.4
123.08035	5.0
123.11713	5.2
125.06081	1.8
125.09620	20.1
128.06200	2.9
129.07039	8.8
131.08540	28.0
133.06519	4.0
133.10115	36.4
135.08035	4.8
135.11691	19.0
137.05969	2.0
137.09622	2.8
141.06966	2.7
142.07736	2.1
143.08545	13.6
145.06491	4.8
145.10107	22.7
147.08018	5.1
147.11676	11.2
149.09616	6.9
149.13234	11.8
151.11180	4.3
153.09053	2.5
155.08525	6.4
157.10097	9.7
159.08038	2.7
159.11684	15.4
161.09596	12.3
161.13268	9.3
163.11169	8.5
163.14890	3.1
165.09140	2.2
167.08548	2.4
169.10126	6.9
171.08133	2.4
171.11694	12.0
173.09700	3.3
173.13220	10.2
175.11159	3.6
175.14819	3.5
177.09047	2.0
177.12740	3.0
179.10666	5.9
181.10110	3.3
181.12186	2.9
183.11679	7.2
185.09645	2.0
185.13237	10.0
187.11089	2.8
187.14804	4.2
189.09282	3.9
189.11224	9.5
189.12729	2.8
193.10312	1.9
195.11667	4.8
195.13708	2.1
197.11635	1.9
197.13260	7.2
199.14804	2.8
201.16350	2.2
207.11702	2.5
221.13243	2.2
225.11226	7.9
227.12723	11.3
231.20905	1.8
243.20978	3.1
253.19525	2.1
257.18878	2.0
259.20660	4.6
261.22055	10.0
269.22525	2.3
271.20569	2.8
273.18439	6.0
275.20209	2.3
277.21771	4.0
279.30078	1.8
281.13760	12.2
283.15698	2.3
287.23700	6.7
289.21530	3.2
291.19565	15.2
297.18832	1.7
297.22171	5.4
299.20050	3.1
313.21579	3.2
315.23108	18.2
333.24411	3.3
349.23288	1.8
403.29950	2.8
421.31042	10.1
431.29514	3.3
439.31821	9.9
449.30249	16.2
457.33032	5.5
467.31531	29.7
485.32492	20.3
495.34402	4.0
513.35675	26.8
515.37408	5.7
523.34033	5.8
527.37030	2.9
531.36798	20.4
541.35168	59.6
559.36206	100.0
560.36780	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	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.01865	19.9
55.05503	37.4
57.03429	18.6
57.07061	3.8
65.03916	3.4
67.05500	77.7
69.03427	4.1
69.07056	33.0
69.84339	6.4
69.84746	7.3
71.04977	7.8
79.05016	3.7
79.05482	75.9
81.03410	43.9
81.07046	86.2
82.07391	2.5
83.04974	10.5
83.08604	19.4
85.02904	3.9
85.06537	3.6
91.05467	83.3
93.07037	100.0
95.01315	4.0
95.04974	28.2
95.08600	72.7
97.02882	7.1
97.06513	23.9
97.10154	7.6
99.04462	3.3
103.05473	3.7
105.07021	79.9
107.04950	23.7
107.08580	63.2
107.92164	2.6
109.06499	10.4
109.10143	22.3
111.04451	3.0
111.08067	7.8
113.03297	2.5
113.09638	2.5
113.58505	2.3
115.05457	6.1
115.69419	2.2
117.07021	38.1
119.08567	74.7
121.06487	10.2
121.10133	34.0
123.04413	3.0
123.08064	4.9
123.11681	7.8
125.09645	5.6
128.06209	4.7
129.07013	14.1
130.07780	4.0
131.08539	38.9
133.06487	3.2
133.10117	54.2
135.08072	6.3
135.11671	50.7
137.09656	3.7
137.81026	2.7
142.07817	3.3
143.08545	12.5
145.06483	2.9
145.10109	46.5
147.08043	7.2
147.11671	48.2
149.09578	14.2
149.13237	13.6
151.11086	3.7
155.08566	5.9
157.10106	14.8
159.08008	2.7
159.11662	24.0
161.09616	4.4
161.13219	30.1
163.11154	52.9
165.12817	3.7
169.10121	4.6
171.11665	13.1
173.13269	10.7
175.11145	6.9
175.14790	13.8
177.12740	4.9
179.14365	3.6
181.12231	8.5
183.11717	3.4
185.13248	8.7
187.14722	2.8
189.09276	3.1
189.12717	3.4
193.12212	5.7
199.14745	5.3
203.14307	2.7
211.14844	3.5
215.14297	2.3
215.17850	2.5
227.12740	86.7
241.19495	35.3
243.21227	2.9
245.08035	5.8
257.18985	6.5
259.20554	61.0
260.10110	2.9
267.15915	27.5
273.18454	4.9
275.20050	45.5
277.21695	4.1
283.15393	37.9
291.19467	5.7
293.21069	5.8
299.19913	3.9
299.59348	2.4
315.23181	9.2
317.21036	2.6
333.24216	61.5
335.25836	3.3
349.23712	12.7
431.29089	2.6
467.31064	4.1
541.35199	55.2
559.36285	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
53.03935	6.9
55.01857	6.3
55.05508	41.8
57.03419	4.6
57.07058	4.7
59.04971	2.9
61.96833	1.6
63.01109	1.4
65.03917	3.4
67.05501	59.4
69.03416	3.6
69.07066	24.1
71.04974	5.4
79.05486	50.7
81.03391	3.5
81.07053	60.3
83.04977	8.2
83.08614	21.4
85.06535	4.3
88.02536	1.4
89.67212	1.6
91.05476	49.1
93.07035	60.7
95.04943	9.6
95.08595	37.8
97.02879	4.5
97.06521	7.0
97.10159	23.3
99.00797	5.1
103.05494	1.7
105.07022	37.8
107.04978	8.6
107.08591	35.0
109.02884	7.4
109.06522	5.2
109.10139	18.2
111.04459	4.6
111.08066	6.1
115.03930	2.1
115.05473	1.8
117.07018	18.5
119.04949	1.6
119.08575	26.2
121.06494	5.7
121.10133	20.3
123.08082	4.7
123.11672	4.4
125.09618	18.9
128.06235	3.4
129.06967	8.4
131.08557	25.2
133.06493	3.4
133.10126	34.8
135.08038	4.6
135.11667	15.8
137.13211	1.4
139.07454	2.2
141.06999	3.0
143.08537	12.7
145.06496	2.9
145.10110	15.0
147.08034	4.1
147.11652	11.5
149.09607	3.4
149.13237	10.2
151.11169	6.1
153.09145	1.8
155.08553	5.1
157.10118	9.0
159.08047	2.7
159.11691	12.6
161.09601	13.7
161.13261	6.8
163.11267	4.4
163.14784	3.2
169.10112	7.8
171.07996	3.7
171.11688	9.9
173.09576	2.8
173.13248	10.8
175.11192	2.3
175.14912	2.4
177.12726	2.3
179.10669	5.1
179.14310	2.4
181.10132	3.5
183.11703	3.7
184.01254	2.0
185.13264	6.3
187.11168	2.5
187.14828	5.9
189.09210	7.8
189.11192	9.0
195.11711	3.5
197.11641	2.3
197.13284	2.8
199.14798	2.7
200.56821	1.6
201.12811	1.9
207.10123	3.7
215.14420	2.2
223.13153	2.6
225.11156	8.9
227.12704	9.4
229.54320	1.7
241.19368	1.6
243.21065	3.7
259.20862	2.3
261.22122	11.0
273.18427	6.4
277.21710	4.6
281.13885	6.3
287.23581	7.7
289.21674	2.2
291.19498	16.8
295.20514	1.8
297.22180	2.7
299.20068	3.1
312.13327	1.7
313.21811	2.0
315.23230	16.1
333.24191	2.9
345.24139	1.9
402.38983	1.8
403.29758	2.3
421.30951	6.0
431.29468	3.2
436.21155	1.7
439.32205	5.2
449.30606	12.9
457.33075	2.1
467.31610	23.1
468.31235	1.8
485.32568	15.8
495.34888	2.9
495.57956	1.8
513.35693	20.6
515.37775	3.1
523.34149	4.0
531.36719	18.5
541.35132	50.9
542.35321	3.8
559.36267	100.0
560.36566	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	558.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	5.2
58.06580	2.6
65.03944	1.3
67.05491	3.2
67.78280	1.1
69.07035	1.3
70.06588	18.8
71.08611	3.5
71.52946	1.4
71.53346	1.4
72.94445	1.0
79.05492	3.8
81.03410	3.9
81.07037	3.4
88.07619	22.9
89.03910	2.1
91.05453	2.4
93.07034	2.3
99.04422	1.1
102.09170	17.0
105.06989	1.6
107.08553	2.1
109.02840	1.3
117.03377	5.6
117.06927	1.0
118.03703	2.0
119.04945	1.1
119.08570	2.0
133.10098	1.4
145.02834	14.2
146.03165	6.8
147.04388	1.9
149.02318	48.7
149.03513	2.4
149.05962	2.0
150.06343	2.0
153.01735	1.1
159.11803	1.1
169.04947	3.3
170.05270	1.3
170.40862	1.0
177.05467	30.1
178.05798	15.9
193.04944	57.1
200.20073	60.3
219.06508	1.2
256.24890	1.0
268.69714	1.0
286.04947	1.7
287.04938	1.7
297.04007	2.6
313.07089	3.6
341.06479	11.7
359.07581	7.1
385.09125	55.9
448.28928	1.3
474.62943	1.1
530.51917	1.1
557.32092	1.4
558.26886	100.0
559.27551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.2
53.03934	4.8
53.70517	1.7
55.01857	10.2
55.05505	45.2
57.03423	7.2
57.07067	4.9
57.22063	1.8
57.52092	2.0
58.69707	2.0
65.03925	4.3
67.05497	70.8
69.03419	4.3
69.07059	19.8
71.04959	2.5
71.08636	2.3
71.53634	2.3
71.54102	2.3
76.52119	2.1
79.05025	2.5
79.05485	51.9
81.03412	4.7
81.07049	65.0
83.04958	5.3
83.08616	28.2
85.06541	4.4
91.05470	48.5
93.07036	50.6
95.04961	9.5
95.08598	42.5
97.02843	2.0
97.06540	5.0
97.10170	28.4
99.00806	5.8
105.07023	46.6
107.04936	7.4
107.08588	33.0
109.02862	10.8
109.06524	4.4
109.10149	23.9
111.04391	2.8
111.08081	6.2
115.08981	1.8
117.07013	19.2
119.08578	26.7
120.41039	2.1
121.06498	6.2
121.10135	20.2
123.08035	5.8
123.11706	6.7
125.09629	19.8
128.06241	3.6
129.06992	12.7
131.08565	25.6
133.06540	3.8
133.10114	43.2
135.08032	6.7
135.11707	15.8
137.09598	3.0
141.07034	2.4
142.07724	2.3
143.08543	17.3
145.06494	2.8
145.10117	19.3
147.08055	2.5
147.11659	13.3
149.09622	2.6
149.13242	10.1
151.11150	5.1
153.09045	2.8
155.08542	5.8
157.10126	13.3
159.08051	3.4
159.11667	16.7
161.09583	16.1
161.13266	9.9
163.11165	5.7
163.14809	3.6
169.10132	10.3
171.08083	5.8
171.11644	10.7
173.09573	2.9
173.13225	12.7
175.11185	2.8
175.14899	4.3
177.12781	3.1
179.10689	8.1
181.10135	4.0
183.11723	8.8
185.13274	7.7
187.11197	3.0
187.14879	5.8
189.09163	10.0
189.11101	9.4
191.10713	2.4
195.11752	3.0
196.19832	2.2
197.13255	5.0
199.14793	4.1
207.11827	2.9
209.13316	3.4
211.14847	4.7
213.12849	2.1
213.16339	2.2
215.14211	2.3
223.14876	2.9
225.11180	11.6
227.12653	9.7
237.16472	2.7
241.19385	2.1
259.20605	3.8
261.22000	11.1
271.20529	3.2
277.21671	6.1
281.13876	15.5
285.22034	2.6
287.23669	9.7
289.21664	2.9
297.22055	2.6
299.14899	2.5
299.20096	3.5
313.21732	4.2
315.23187	30.0
333.24307	2.9
373.24011	2.4
403.29913	4.9
421.31119	10.3
423.32544	2.4
431.29413	4.2
439.32068	7.9
449.30408	13.2
457.33096	3.9
467.31509	32.4
475.34164	2.5
485.32678	21.8
495.34924	3.9
503.34372	2.5
513.35736	27.2
515.37115	4.5
523.34186	3.5
531.36798	22.8
541.35126	65.5
542.35480	2.7
559.36249	100.0
560.36108	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.81586	1.8
55.01857	3.3
55.05505	25.7
57.03428	8.2
57.07060	15.1
67.05500	43.1
69.07063	19.6
71.04993	3.6
71.08619	6.4
71.52761	3.3
79.05483	34.4
81.03423	6.3
81.07050	44.7
83.04985	5.0
83.08620	10.4
84.59325	2.0
85.06548	2.5
85.10172	4.2
91.05473	37.2
93.07034	33.9
95.04955	9.1
95.08595	35.5
97.10159	7.4
98.98464	3.8
101.65282	1.9
104.00180	2.0
105.07020	35.0
107.04931	4.6
107.08585	17.2
108.35481	1.9
109.06519	3.3
109.10129	16.3
117.07008	14.0
119.08559	24.5
121.06553	3.4
121.10121	13.1
123.08040	2.9
123.11655	3.4
125.09630	3.3
128.06250	2.8
129.06989	19.5
131.08566	26.4
133.10121	19.4
135.11700	9.4
141.07001	8.1
142.07678	2.2
143.08549	21.8
143.52545	2.1
145.06454	3.7
145.10110	26.8
147.11670	15.4
149.09641	2.9
149.13277	5.1
155.01025	5.1
155.08527	21.8
157.10123	22.5
159.11697	18.9
161.09618	2.9
161.13254	8.2
165.06943	2.1
166.15904	2.0
167.08594	6.1
167.93376	2.3
169.10088	23.4
171.11670	24.1
173.09613	2.8
173.13222	14.4
175.14757	4.7
179.08572	3.4
181.10103	13.1
182.10837	3.0
183.11725	22.2
185.13234	14.3
187.14871	5.7
193.10231	3.5
195.10162	1.9
195.11623	11.8
197.13232	10.6
199.14795	10.8
201.16409	2.1
207.11789	3.0
207.13773	5.8
209.13284	6.1
211.14764	9.9
213.16382	7.5
221.13271	5.8
223.14903	4.9
225.16360	3.4
237.16603	4.7
239.23610	7.1
241.19458	5.2
247.17072	3.8
249.16354	3.0
257.18985	3.1
259.20590	12.3
281.17432	7.6
297.22202	2.6
307.23883	2.3
313.27374	14.2
315.23303	3.8
315.73178	2.2
323.23749	4.0
333.24316	4.0
342.44089	2.2
349.25226	2.9
353.24680	2.5
419.33069	4.0
429.31525	5.1
437.34186	11.0
447.32397	25.6
465.33450	29.0
483.34433	20.5
511.38382	3.4
521.36121	9.8
529.38593	6.6
539.37292	100.0
557.38495	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	558.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
70.06583	6.2
72.08160	3.8
75.04470	2.3
79.05459	2.8
85.02919	4.5
86.09679	5.1
91.05462	8.2
93.03402	8.9
93.07030	6.2
95.04979	5.3
97.06508	2.4
103.05460	5.2
106.04166	19.4
107.04909	4.1
109.06448	2.4
120.08261	2.1
121.06505	25.1
125.05992	7.0
134.03616	3.0
135.04388	3.0
137.05896	4.0
139.07533	2.6
142.75923	2.0
149.05992	33.4
153.09105	11.2
161.05894	2.2
167.07040	7.0
169.79216	2.1
173.86113	2.4
177.05438	19.3
181.08577	17.7
186.22054	3.1
191.07059	4.8
193.08568	3.1
197.08119	3.4
209.08070	100.0
301.07687	2.3
369.13089	2.6
387.14111	3.4
463.20282	2.1
582.88135	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01868	2.8
55.05270	1.4
55.05509	17.5
57.03426	5.6
57.07059	5.2
57.71967	1.1
65.03934	2.3
67.05501	42.6
69.03409	1.5
69.07061	16.5
71.04991	3.6
71.08620	4.8
71.26406	2.8
74.78513	1.1
75.70615	1.3
76.13107	1.3
79.05489	36.3
81.03405	4.9
81.06588	2.6
81.07047	41.4
83.04979	4.8
83.08617	12.2
85.06543	3.2
91.04903	2.1
91.05474	37.5
93.07037	34.3
95.04963	7.8
95.08603	31.4
97.06523	5.8
97.10165	5.5
99.08083	2.0
105.07019	33.7
107.04951	4.3
107.08577	17.6
109.06512	4.2
109.10130	12.4
111.08064	2.1
115.05431	2.4
117.06999	16.4
119.08578	25.8
121.06520	4.0
121.10130	10.7
123.08065	4.1
123.11726	2.6
128.06221	5.2
129.06995	18.6
131.08560	30.3
133.10100	18.6
135.08043	3.1
135.11705	9.2
137.09586	2.2
141.06979	8.4
142.07765	3.9
143.08551	22.9
145.06454	2.4
145.10110	26.4
147.08038	3.1
147.11674	15.5
149.09558	2.5
149.13260	4.5
153.07021	1.6
154.07791	1.6
155.08536	21.6
156.09303	1.8
157.10109	15.9
159.08090	3.4
159.11685	18.9
161.09665	2.4
161.13260	12.4
163.11188	2.8
165.06943	1.7
167.07297	1.2
167.08517	7.6
168.09291	1.8
169.10115	23.0
171.07993	1.8
171.11679	22.7
173.09636	1.9
173.13235	9.1
175.11115	2.0
175.14861	5.2
177.12819	1.7
179.08522	2.7
181.10097	14.5
182.10933	2.3
183.07922	1.3
183.11658	16.9
184.12407	1.3
185.09656	2.6
185.13252	13.6
187.11205	2.9
187.14786	6.7
189.12775	3.5
193.10129	2.2
194.11047	1.7
195.11655	10.5
196.12421	1.5
197.13283	11.8
199.11345	1.9
199.14827	8.7
201.16353	2.4
205.10382	1.5
207.11835	2.8
207.13863	4.3
209.13255	9.3
211.14822	8.5
213.16318	10.7
219.11710	2.4
221.13280	4.7
223.14868	5.9
225.16446	3.5
227.18123	1.9
231.20895	1.5
235.14919	2.3
235.17050	1.8
237.16449	4.2
239.17976	2.4
239.23698	1.5
241.19525	6.5
247.16968	2.6
249.16431	1.8
251.17961	1.6
257.19095	2.2
259.20517	12.6
279.15982	4.7
281.17282	9.8
287.20154	1.9
293.19107	1.6
295.20627	1.6
297.22165	2.1
299.23825	1.6
307.20618	2.5
311.20102	1.9
313.21643	2.3
313.27393	4.2
321.22223	1.4
323.23770	2.5
325.25095	1.8
333.24295	5.4
335.23596	3.5
337.21628	1.8
337.25467	1.8
339.23193	3.4
341.24744	1.4
349.25418	1.9
353.24619	1.9
419.33182	3.7
429.31436	6.2
437.34030	11.8
447.32568	25.0
455.80185	1.5
465.33670	28.6
483.34637	16.3
501.35718	3.5
511.37924	2.7
521.36060	8.5
527.37549	3.8
529.39178	9.8
539.37274	100.0
540.37610	4.0
557.38391	52.9
558.38788	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	557.2565
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.05489	0.6
57.30968	0.6
68.24845	0.5
69.03430	1.0
69.07066	1.5
70.06589	4.2
71.52279	1.1
72.08146	1.1
74.06070	0.8
74.33175	0.5
81.03388	0.7
81.07037	1.2
83.08589	0.6
84.08140	1.2
85.02891	1.8
86.09692	3.9
91.05482	1.6
93.07069	0.7
95.08608	1.1
97.02896	1.0
105.07029	2.0
107.08586	1.0
109.10195	0.9
110.07226	0.7
119.08580	6.6
121.10118	0.9
123.04424	0.8
123.48065	0.6
124.08897	0.6
127.03847	0.8
129.10280	0.6
133.10132	7.3
136.07509	0.6
145.10185	0.6
147.11713	1.6
155.14751	0.6
175.14832	7.8
200.01682	0.5
203.05254	14.9
377.19290	10.9
379.20987	1.6
437.95703	0.6
456.11203	0.7
557.25647	100.0
558.26343	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01869	8.4
55.05503	32.4
57.03421	6.6
59.04988	1.6
65.03927	2.3
67.05498	39.4
69.03424	6.7
69.07060	24.0
71.04962	3.1
77.03966	1.5
79.05486	34.8
81.03411	47.1
81.07046	37.4
83.04971	7.3
83.08604	16.3
85.06511	2.9
91.05469	31.6
93.07036	30.7
95.04955	27.1
95.08591	17.8
97.02897	8.7
97.06542	7.3
97.10159	18.2
103.05456	2.5
105.07014	25.7
107.04942	14.1
107.08587	20.9
109.02886	1.9
109.06495	7.2
109.10143	14.1
109.32353	1.6
111.08070	4.9
115.05466	4.8
117.07008	13.2
119.08559	24.2
121.06500	9.0
121.10121	10.8
123.08073	3.0
124.76843	1.4
125.09616	14.9
128.06194	3.4
129.06998	13.0
131.08565	19.6
133.06476	8.8
133.10101	11.5
135.08043	6.8
135.11688	6.3
137.09610	3.0
141.07025	3.1
142.07755	3.5
143.08571	8.7
145.06496	5.6
145.10109	12.6
147.08067	6.3
147.11685	5.2
149.09616	6.1
151.11206	2.0
153.09201	1.9
155.08519	2.9
157.10124	7.8
159.08067	5.4
159.11691	6.3
161.09613	6.0
161.13229	2.2
163.11234	3.3
167.08600	1.8
169.10139	3.5
171.08067	2.0
171.10251	2.0
171.11685	4.1
173.09633	3.6
173.13258	2.6
175.11153	5.6
177.12700	1.9
181.10196	2.9
181.12343	1.7
183.11682	3.5
185.09593	2.1
185.13286	3.0
187.11241	2.5
189.11108	7.4
193.10706	1.3
193.12239	9.2
199.11186	2.4
199.14857	2.1
201.12790	2.3
203.14052	1.7
205.12257	3.6
213.12883	2.2
215.14420	2.5
219.13756	10.4
223.13196	9.8
227.12665	12.6
229.63680	1.7
237.12871	1.8
249.14745	2.9
253.19569	1.5
267.15854	1.7
271.16934	3.4
273.18408	9.3
275.20013	9.8
285.22232	2.1
287.20123	1.4
291.19543	46.5
313.21558	8.9
343.22839	1.6
353.21432	1.9
389.23120	1.6
419.29898	1.9
445.25888	2.4
447.29013	5.3
465.30023	11.5
466.13885	1.6
483.30978	7.9
521.32379	2.2
529.35425	2.4
539.33691	20.3
557.34686	100.0
558.34949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.16540	0.2
56.36835	0.2
56.91159	0.2
61.13041	0.2
63.02379	0.4
63.76740	0.2
64.63126	0.2
67.01861	0.3
68.03613	0.2
68.99779	0.3
77.09380	0.3
78.04702	0.4
81.03410	3.9
88.95828	0.2
89.03344	0.3
89.03904	5.4
91.05441	0.4
93.77191	0.2
98.21617	0.5
99.04440	2.4
103.05502	0.3
106.04162	0.5
109.02876	5.1
117.03369	16.7
119.04926	0.4
124.05232	0.3
124.62036	0.2
127.03905	2.7
134.03624	1.2
135.04419	0.8
145.02829	47.3
146.03214	0.7
149.05974	5.9
158.06046	0.3
163.03963	0.3
169.04948	14.8
175.03949	0.3
177.05452	100.0
178.05792	0.9
179.03349	0.2
185.05861	0.5
186.05434	1.2
186.94498	0.2
206.50912	0.3
221.04251	0.3
242.05559	0.3
243.06606	0.4
259.09555	0.3
285.07565	2.8
303.08588	3.7
345.09738	2.3
499.23672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	0.4
63.02365	0.3
65.03911	0.2
67.05487	0.6
68.99789	0.5
69.07054	0.3
71.05023	0.3
71.53200	0.4
76.99376	0.2
77.18355	0.2
79.05476	0.6
81.03406	4.2
81.07051	0.8
83.08584	0.3
85.02888	0.3
89.03905	7.2
89.04426	0.5
91.05475	1.1
93.07060	0.5
95.04958	0.8
95.08601	0.8
97.10171	0.3
99.04454	2.3
100.10374	0.2
103.05466	0.3
105.07029	0.4
105.54293	0.3
107.08579	0.4
109.02869	4.5
117.03367	19.0
117.16422	0.2
119.04948	0.4
119.08559	0.4
121.06528	0.2
121.10088	0.3
121.11575	0.2
127.03896	3.3
131.04901	0.3
133.10097	0.3
134.03642	1.1
135.04410	1.4
143.08556	0.3
145.02827	46.6
146.03224	0.8
147.04379	0.7
149.05957	6.9
153.01823	0.5
158.06004	0.5
162.03111	0.3
163.03949	0.7
169.04948	13.5
177.05450	100.0
178.05849	1.4
186.05475	2.1
187.07526	0.2
215.07040	0.4
221.04442	0.5
243.06557	0.4
255.05949	0.3
257.07904	0.3
259.09656	0.5
273.18582	0.5
285.07492	3.0
303.08621	3.0
329.02933	0.6
345.09683	1.9
398.95010	0.2
557.11658	0.3
557.34027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58676	0.2
67.05463	0.3
69.03403	0.3
70.06555	0.3
70.74937	0.2
70.75264	0.4
72.93759	0.2
81.03387	0.3
81.07024	0.3
84.96794	0.2
91.05453	0.5
93.07025	0.4
95.04931	0.3
95.08548	0.2
105.07011	0.3
107.08556	0.4
107.47059	0.2
109.02836	0.3
117.07043	0.3
131.04955	0.3
132.95811	1.1
133.10121	0.2
135.04436	0.3
145.02808	0.4
147.04375	0.5
150.96828	0.6
152.61127	0.2
153.01799	1.5
154.02557	0.5
162.96828	0.2
163.03851	0.2
167.07021	0.3
174.96893	1.7
175.03894	0.2
177.05423	0.7
178.02606	0.3
179.06946	0.6
181.04863	0.2
192.97853	0.3
198.32536	0.2
200.94812	0.2
203.03395	0.3
207.06491	0.2
209.08032	0.9
213.05383	0.5
221.06207	0.8
241.04892	0.7
242.05714	3.4
253.04877	0.3
255.02765	0.3
258.05206	3.3
259.05743	0.3
260.96851	0.6
269.04434	0.5
270.05203	10.1
271.05630	0.4
273.03928	1.7
285.03967	0.6
286.04636	1.4
287.05469	5.2
298.04681	0.3
299.05417	0.8
301.03317	2.5
301.06592	0.1
302.04141	3.6
313.03262	1.4
315.04944	46.6
316.05640	6.1
329.06458	1.0
331.08075	100.0
332.08398	2.9
395.12155	0.2
472.26877	0.2
513.30011	0.3
515.31256	0.2
557.16443	1.9
557.28656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19087	1.3
69.83322	8.5
112.89601	6.3
142.25520	1.3
168.92061	11.8
186.93123	15.2
187.54683	1.4
204.94322	1.5
208.97256	1.8
210.94064	100.0
210.96896	7.3
210.99763	4.2
228.92073	2.0
228.94231	29.4
240.21263	1.3
245.04953	2.1
246.95280	18.7
251.95796	1.9
270.95248	25.9
270.98145	1.9
282.95242	3.3
288.96347	5.7
300.96295	6.6
312.96280	2.5
330.97369	6.2
372.98285	5.7
381.07825	10.7
390.98987	2.0
419.03604	1.9
456.95142	1.4
553.04657	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	553.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01851	0.4
57.03425	0.3
61.66522	0.2
61.84010	0.2
65.03936	7.2
65.04286	0.3
67.05501	2.4
68.99777	0.2
69.03425	1.5
69.07063	0.3
70.06590	0.9
70.12656	0.6
72.08145	0.4
79.05460	0.5
81.03385	0.6
82.00526	0.4
82.04186	3.0
83.04958	0.3
85.02896	4.8
86.09668	0.4
86.31805	0.2
91.03918	0.2
91.05433	0.2
93.03396	1.3
93.07069	0.2
95.04943	1.2
95.08571	0.2
97.02869	0.5
97.06522	1.5
99.04440	0.3
104.30476	0.2
105.04514	0.2
105.07008	0.2
107.04922	0.3
108.02090	1.3
109.02858	0.7
110.03645	3.2
111.04432	1.8
114.03115	0.4
121.02895	0.2
121.04037	0.2
123.00758	0.7
123.04370	0.3
125.05990	1.8
137.02304	0.3
137.05914	0.2
138.03120	1.5
139.03960	0.3
140.04695	0.3
142.02608	2.1
147.04413	0.3
153.01854	0.2
153.05455	0.6
163.03831	0.2
170.02078	0.2
171.06523	5.2
181.04936	100.0
182.05266	1.8
221.83322	0.2
305.05338	0.2
355.06610	0.4
553.12970	0.5
553.22272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15759	0.6
55.05492	1.0
65.03925	1.6
65.74452	0.6
67.05486	0.8
71.53205	1.2
79.05472	1.2
81.07068	1.3
85.02895	0.8
91.04899	1.2
91.05466	19.0
95.08581	0.9
105.07002	0.9
111.04397	0.7
117.07075	0.7
119.04930	34.1
123.08099	0.8
147.04390	100.0
148.05084	0.7
151.07539	1.4
156.02846	0.7
175.03894	0.9
179.07002	2.6
181.04935	3.1
182.05730	1.6
184.07335	1.7
192.04178	4.5
207.06500	4.5
208.07207	1.0
224.16637	0.8
357.09579	8.0
389.12274	7.4
399.99521	0.9
553.29706	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	553.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21983	1.3
67.05482	1.4
71.78934	1.4
75.89208	1.4
81.07068	1.8
85.22382	1.4
99.16685	1.5
116.98553	1.5
119.08559	1.4
164.86882	1.5
293.05026	1.6
324.24185	1.5
410.67184	1.4
553.27692	100.0
554.28003	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	552.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58246	0.8
53.03941	1.7
55.01875	1.6
55.05508	6.8
57.03429	1.6
57.07064	1.5
65.03932	1.5
67.05501	18.8
69.03416	5.4
69.07059	8.2
70.06584	2.2
70.93060	2.2
71.04987	1.7
79.05482	15.2
81.03412	2.9
81.07047	36.7
83.04981	2.5
83.08615	2.4
85.02897	3.8
85.06545	1.2
86.09712	1.9
90.86127	0.8
91.05460	7.7
93.07030	12.3
95.04957	4.2
95.08598	11.3
97.02893	3.7
97.06522	2.3
97.10161	9.5
99.04436	1.9
105.07012	9.8
107.04944	2.9
107.08580	38.1
109.02864	1.9
109.06498	5.4
109.10146	25.0
111.04422	2.0
111.08077	2.2
111.11674	0.9
117.07019	3.8
119.08554	6.6
120.08094	0.9
121.06484	2.2
121.10143	4.2
123.04475	1.1
123.08066	2.0
123.11710	7.5
125.05949	1.2
125.09620	16.9
125.10465	1.5
127.03909	1.9
131.08604	1.3
132.74464	0.9
133.10097	2.3
135.08046	26.9
135.11676	1.8
137.05962	1.2
137.09612	2.9
137.13278	1.9
143.08429	0.9
145.02826	1.7
145.04958	1.4
145.10133	2.7
147.11691	1.9
149.09682	0.9
149.13234	2.5
153.09070	13.6
159.11641	1.5
161.09679	1.0
161.13257	1.3
163.07523	8.0
165.09108	1.6
165.12743	2.1
166.70862	0.8
167.14381	1.1
171.10179	9.5
171.11613	0.9
175.14850	1.5
177.05486	2.2
179.03381	2.0
181.08600	4.5
184.07304	1.7
193.15788	1.7
199.09631	33.1
203.17877	1.8
204.43733	1.0
255.21101	1.1
263.23853	1.2
265.08432	0.9
273.22128	0.9
289.10672	0.8
291.23178	3.1
301.21689	4.0
319.22623	12.2
337.23697	100.0
338.24155	1.5
355.24860	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	555.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09418	0.9
71.51935	1.1
71.52305	0.9
74.02435	1.2
93.35490	0.8
98.81962	1.0
109.60847	0.9
115.05424	1.3
117.05756	1.8
118.06522	18.2
130.06483	1.4
132.08061	5.4
133.47887	1.0
142.06493	1.3
143.07271	2.3
144.08067	12.7
146.05991	60.7
150.47299	0.9
159.09187	5.7
163.03885	1.6
170.05995	4.2
188.07040	100.0
189.07445	2.0
205.09692	38.7
415.72009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41626	3.6
51.33488	4.1
55.05502	9.2
57.03420	5.7
57.07070	32.4
60.86081	3.2
67.05489	7.8
69.07056	8.8
70.06570	12.4
70.10745	19.5
71.08615	15.4
74.45333	3.2
79.05476	13.6
81.07037	16.0
83.08604	11.0
85.10163	15.6
88.07623	6.9
89.06017	9.0
91.05448	4.9
93.07030	22.4
95.08601	30.3
97.06539	3.5
102.09167	4.3
104.10724	10.5
107.08588	13.8
109.10158	4.4
117.07023	5.4
118.91589	4.3
119.08594	4.9
121.10166	5.0
132.10144	4.8
135.11697	18.2
145.10074	16.5
146.11769	4.0
163.11191	23.4
165.62378	3.7
190.05252	4.0
209.05688	3.6
227.12759	47.7
229.74628	3.7
245.75543	3.5
256.26358	7.4
269.82748	4.1
283.15356	48.1
283.26254	43.3
300.28812	24.6
311.28824	4.0
313.27310	69.5
356.36304	4.4
427.82224	4.9
439.66434	3.7
521.32306	4.3
521.38483	38.9
556.52887	100.0
562.08752	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	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.2
58.99851	2.1
62.98135	1.4
65.26244	1.3
69.03419	2.7
69.49628	1.7
69.60800	9.0
81.03424	2.0
82.40897	1.5
82.99862	3.2
85.02901	3.8
94.93117	1.5
97.02896	2.9
98.97586	5.6
101.00870	14.5
105.00372	1.5
109.02898	3.0
110.97549	2.3
113.00885	4.7
116.98599	3.4
119.01913	59.3
123.69297	1.5
127.02425	5.4
127.03944	2.1
128.98604	2.3
129.03983	2.3
131.01897	28.9
133.03429	1.8
135.05011	1.8
137.02969	11.8
140.98619	1.5
141.03944	3.8
143.01897	26.4
145.03468	62.7
146.99628	2.4
147.01408	2.5
147.04988	2.7
149.02959	4.5
155.01871	18.3
157.03432	11.2
159.05031	21.3
161.02936	46.4
163.04587	16.4
167.01862	8.2
168.05022	1.9
169.03445	40.0
170.99663	3.4
171.01396	4.0
171.05040	12.6
173.02951	36.7
177.01982	2.2
177.05957	1.9
179.01947	2.6
179.03951	1.8
181.03442	6.1
183.05017	2.5
185.02942	54.8
187.04512	96.0
189.00772	2.9
189.02402	16.1
189.06044	4.3
191.04108	3.7
195.05125	1.7
197.02931	19.8
197.06712	1.6
199.04544	17.9
201.00682	2.8
201.06061	4.1
203.03990	18.6
205.05580	1.6
207.03445	3.9
208.04625	1.6
209.03058	2.2
210.06116	4.3
211.04510	15.0
213.02426	16.0
213.06049	4.3
214.00809	1.8
215.00392	1.8
215.04025	15.3
217.05515	2.8
219.01692	5.7
221.02975	2.5
221.05064	5.0
223.04506	4.0
225.02495	6.6
227.04025	12.7
229.05614	7.8
231.03490	31.1
233.01453	3.4
237.02716	3.2
241.05672	2.1
243.03615	3.6
245.05061	100.0
246.05104	2.0
257.01422	5.3
257.05017	5.0
261.02905	4.9
263.06094	14.8
271.06659	19.2
272.06802	1.9
275.02466	57.8
275.06061	24.6
279.03922	4.9
287.02441	22.8
293.03525	29.4
293.07135	8.3
297.04285	2.0
305.03543	20.7
305.07199	12.8
311.04382	1.5
315.05551	5.9
316.05090	1.5
317.03479	5.0
321.05017	1.9
333.06635	4.4
335.04547	28.0
335.08237	5.9
341.03470	6.7
351.06146	1.8
359.04578	23.1
365.09375	9.7
377.05603	51.7
378.05838	1.7
395.06699	72.8
497.09003	3.9
518.16034	1.8
539.10706	7.3
557.12006	27.2
558.11505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
67.05497	7.3
69.82097	3.9
69.82520	5.5
81.07017	2.0
83.08630	1.6
91.05450	1.9
95.08592	2.4
97.10150	2.9
97.41221	1.6
105.07027	1.9
109.10072	2.4
118.99518	1.4
131.00174	1.4
131.08568	1.4
148.50618	1.9
149.01213	2.4
166.57596	1.5
189.11203	3.3
225.16437	1.7
233.56009	1.6
241.79984	1.7
243.01538	1.6
277.19226	1.8
292.30673	1.7
317.17896	2.9
357.10657	1.5
518.18976	1.8
553.27679	100.0
554.27893	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	552.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92167	0.2
55.05493	0.2
56.05025	0.6
57.03420	0.2
58.06625	0.7
59.07382	0.2
60.08159	6.0
67.05486	0.3
70.06568	0.3
71.07363	3.1
71.52878	0.2
73.90323	0.2
79.05497	0.3
81.03411	0.4
81.07040	0.5
85.02917	0.3
85.86306	0.2
86.09699	31.1
87.78070	0.2
91.05457	0.4
93.07039	0.5
93.87639	0.2
95.08599	0.3
97.02856	0.2
98.98452	3.0
104.10740	3.6
106.18018	0.2
107.04953	0.3
107.08585	0.2
109.02850	0.5
109.06474	0.3
109.17709	0.2
111.04432	0.2
121.10101	0.4
124.99992	21.1
125.06051	0.2
127.03910	0.2
135.18907	0.2
137.05995	1.3
143.00980	0.3
143.26874	0.2
147.34862	0.2
184.07324	100.0
185.07623	0.5
211.24728	0.3
245.07895	0.2
258.10974	0.3
277.17963	0.3
367.08331	0.5
534.28430	1.2
550.05457	0.2
552.29285	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	552.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.93562	0.3
55.05494	1.8
57.07055	0.7
67.05500	1.5
69.03407	0.8
69.07060	5.7
69.84559	0.3
70.06570	0.7
72.08127	0.5
79.05457	0.6
81.03399	0.7
81.07050	1.6
83.04997	0.3
83.08605	1.3
84.08130	0.4
85.02892	2.5
85.47733	0.2
86.09650	0.6
91.05463	2.3
93.07040	1.4
95.04952	0.5
95.08594	5.7
97.02860	1.2
97.81994	0.4
105.07014	5.7
107.04980	0.4
107.08592	2.3
109.02852	0.4
109.09463	0.5
109.10145	5.2
117.07011	0.7
119.08565	27.3
120.09340	0.4
121.02834	0.8
121.10133	1.6
125.53411	0.3
127.03863	0.7
131.08519	0.6
132.53052	0.3
133.10109	24.0
135.11665	2.4
137.09625	2.2
145.04858	0.3
145.10091	1.8
147.11664	4.0
149.13214	0.5
151.14792	0.6
158.92224	0.3
160.12416	1.2
163.03922	0.4
173.13214	0.9
175.14798	100.0
176.15169	0.9
177.16408	0.6
193.15857	16.1
219.13364	0.3
229.71924	0.3
246.49146	0.3
287.05496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.0
67.05487	3.2
69.03426	2.0
69.07065	12.9
70.06576	2.9
71.01690	3.0
71.04984	6.1
72.08167	1.2
72.13262	1.1
73.02902	1.2
77.03902	1.2
79.05495	2.9
81.03394	1.3
81.07060	7.9
83.08613	5.0
85.02901	6.1
86.09680	1.6
86.58576	1.2
91.05480	10.7
93.07042	3.8
95.08606	10.2
97.02878	1.9
105.07024	24.6
107.08585	15.0
109.10137	2.8
115.05309	1.3
117.07018	3.8
119.08577	100.0
120.08131	2.5
121.02859	1.3
121.10139	4.6
127.03912	2.7
133.10135	25.5
136.07574	2.8
145.04990	3.1
147.11665	4.5
157.62312	1.5
163.05963	1.5
175.14812	96.3
190.19284	1.2
215.09123	4.0
233.10191	4.0
246.40680	1.3
262.04135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64002	0.9
55.01865	2.8
55.05504	7.0
57.03442	2.0
57.07054	2.3
61.02906	0.9
65.03928	2.3
67.05498	22.1
69.03413	3.2
69.07062	10.8
70.06574	2.7
70.85797	1.6
71.05002	1.7
71.08589	1.0
79.05482	18.4
81.03400	1.5
81.07047	44.8
82.07382	1.0
83.04967	3.7
83.08608	2.8
85.02893	3.9
85.06503	1.1
86.09713	1.4
91.05461	8.3
93.07028	10.6
95.04959	3.6
95.08598	14.5
97.02856	3.1
97.06511	2.9
97.10151	9.3
99.04446	2.9
105.07028	9.1
107.04965	2.4
107.08580	47.5
109.02850	2.0
109.06493	4.8
109.10146	27.7
111.04417	2.1
111.08073	2.2
117.06997	3.8
119.06094	1.1
119.08569	5.8
121.06493	1.0
121.10120	4.5
123.04435	1.5
123.08019	1.7
123.11697	8.5
125.09621	18.1
127.03877	1.2
131.08479	1.2
133.10136	2.7
135.04388	1.2
135.08040	25.1
135.11668	3.0
137.09613	2.6
137.13261	1.8
139.07486	1.3
143.08511	2.3
145.10106	1.6
145.62361	0.9
147.08031	1.8
147.11684	3.5
149.13255	3.0
153.01781	1.0
153.09088	15.7
157.10069	1.1
159.11720	1.2
161.13200	1.1
163.03926	1.4
163.07489	7.1
163.14838	1.1
165.09077	2.7
165.12726	3.0
171.10150	7.6
173.06158	0.9
177.05498	2.0
181.08598	5.8
193.15889	2.2
199.09633	34.1
203.17995	1.1
207.10272	1.5
225.11440	1.2
246.15987	0.9
291.23340	1.7
301.21582	5.1
319.22702	10.6
337.23682	100.0
338.23981	1.4
355.24826	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	551.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
53.29103	0.5
55.01851	1.4
57.03418	1.1
57.46437	0.5
60.04506	0.8
61.02897	1.2
65.55034	0.5
68.99772	0.9
69.03421	6.3
70.06575	3.4
70.31950	2.2
70.32318	1.0
70.90810	0.5
70.91885	0.5
71.04974	0.9
72.08129	0.9
73.02895	0.9
81.03408	5.7
81.07045	0.6
82.00193	0.6
84.04463	1.5
84.08121	0.7
85.02891	8.1
86.09713	3.3
87.00806	3.4
87.08076	1.7
91.05451	0.9
97.02872	7.9
99.04412	2.9
105.01857	1.8
105.06982	1.4
107.04906	0.8
109.02861	4.8
110.07135	0.7
111.00776	1.2
120.08084	1.6
121.02809	1.2
123.08085	0.8
127.03911	7.1
130.83818	0.6
131.04878	1.5
135.04373	1.2
137.02289	3.7
137.05949	1.1
139.03786	0.7
145.02859	0.8
145.04922	1.7
147.04407	1.6
149.02396	0.7
151.03900	1.0
151.07539	0.8
151.11534	0.5
153.01797	4.3
159.02870	2.0
161.05887	0.7
163.03868	1.9
163.07443	0.7
165.01817	1.9
173.05989	1.0
177.05438	0.6
183.02864	0.7
187.03809	0.8
191.03397	0.6
201.05434	2.0
211.30728	0.7
212.83284	0.7
229.04979	3.9
231.04919	1.2
257.04382	2.6
285.03802	1.7
287.05539	1.2
301.07065	0.9
303.04938	100.0
304.05264	2.5
452.53922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.424
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
53.03934	4.6
55.05503	14.7
57.07062	7.3
59.04988	1.5
65.03930	3.2
67.05495	28.6
69.07064	18.2
71.08605	2.0
71.30630	1.4
71.30974	1.4
75.94022	1.3
79.05483	22.5
81.03400	1.4
81.07047	37.5
82.64357	1.4
83.08600	9.0
85.06543	2.6
91.05469	36.8
91.06021	2.2
93.07034	53.1
93.07630	2.5
95.04960	5.0
95.08595	40.3
97.10149	2.0
102.45131	1.3
103.05450	4.1
105.07019	63.4
107.08579	49.2
109.06544	1.8
109.10144	40.2
115.05435	3.0
116.06216	1.9
117.06998	13.7
119.08569	100.0
120.07719	1.1
121.10128	49.9
123.08038	2.3
123.11694	14.5
128.06216	6.5
129.06985	10.9
130.07762	7.2
131.08542	30.4
133.09108	3.0
133.10112	51.7
135.11670	41.0
137.09625	3.0
137.13268	2.6
139.11133	2.5
141.06953	4.5
142.07756	12.7
143.08549	23.4
143.09581	2.3
144.09363	6.8
145.10106	63.4
147.11665	20.2
149.09618	2.7
149.13252	5.9
149.22040	1.2
153.06999	2.3
154.07790	1.9
155.08543	8.4
156.09329	8.6
157.10101	32.0
158.10890	4.5
159.11682	34.0
161.13257	10.8
163.11134	1.8
163.14835	2.5
165.07007	2.8
166.07747	1.6
167.08574	4.7
168.09251	1.8
169.10109	16.4
170.10902	4.5
171.11649	23.7
171.12965	2.0
172.12491	1.7
173.13235	22.9
175.14801	43.8
176.89288	1.3
179.08575	4.1
180.09338	2.3
181.10078	10.5
182.10893	5.0
183.11658	13.3
184.12500	2.0
185.13211	16.8
187.14804	14.9
189.12569	1.4
189.16354	4.0
192.09387	2.1
193.10065	6.7
193.15962	3.0
194.10887	3.6
195.11659	11.5
196.12477	3.9
197.13235	18.1
199.14795	9.8
201.16330	14.9
203.17908	2.1
205.10081	2.4
205.15825	2.4
206.10982	1.8
207.11674	7.9
208.12444	4.0
209.13205	15.1
211.14815	12.7
213.16344	6.6
215.17841	2.3
217.10181	1.3
217.15869	2.0
219.11732	2.1
219.17407	4.6
220.12500	2.1
221.13232	8.2
222.14073	1.6
223.14751	11.0
225.16356	5.2
227.17897	2.6
231.11682	2.8
233.13197	3.7
233.18700	1.5
235.14859	4.6
237.16304	6.0
239.17998	3.9
241.19537	4.7
245.13211	2.5
246.14055	1.7
247.14876	3.0
249.16396	3.5
251.17952	4.3
253.19536	4.5
255.21098	1.5
257.19226	1.7
259.20657	2.8
261.16476	3.3
263.17911	4.3
265.19635	4.5
267.21075	5.4
271.20578	2.7
273.16479	2.4
275.17883	3.1
277.19601	4.0
279.21176	2.5
281.18936	1.4
281.22504	1.6
283.20523	3.7
285.16287	1.6
285.22101	3.8
287.17923	2.6
289.19495	3.3
291.21127	2.1
309.22116	1.5
319.24033	2.3
329.22507	1.4
331.23898	1.8
333.25757	2.2
335.23703	1.8
345.25912	3.9
349.25192	1.9
359.27673	1.9
411.30466	1.9
429.31705	3.0
430.32043	1.6
459.36081	2.6
495.36026	2.2
533.41229	6.8
551.42407	47.0
552.42908	1.5
568.73932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01853	8.2
55.05507	14.8
57.03412	10.0
57.07071	2.8
60.08150	4.0
62.60924	2.4
65.03951	3.0
67.05495	78.4
69.03394	2.4
69.07059	22.0
69.29307	2.3
70.12214	2.4
70.12497	11.7
71.04969	9.8
79.05486	38.6
80.76998	2.5
81.03419	3.5
81.07041	95.7
83.04961	10.3
83.08603	6.9
85.06518	6.3
86.09684	8.1
86.65945	2.3
91.05477	42.7
93.07028	42.4
95.04942	7.5
95.08590	38.0
97.06527	4.8
97.10126	4.2
105.07012	40.6
107.08574	49.7
109.06469	6.4
109.10149	74.2
113.05987	4.9
117.06985	5.5
119.08564	11.6
121.10128	16.0
123.11674	19.6
124.99992	7.4
127.07561	2.5
131.08542	11.0
133.10114	81.0
135.11653	8.9
143.08536	4.3
145.10074	7.4
147.11664	7.7
149.13225	9.3
151.11143	35.4
158.52019	2.5
159.11598	6.3
161.09607	3.3
161.13260	4.0
163.14810	4.6
169.12207	9.2
173.13225	8.8
175.14827	3.5
184.07285	25.8
191.28239	2.5
215.12738	8.4
243.21045	6.7
253.11653	5.4
253.14317	100.0
261.22055	31.9
271.15366	41.6
279.23126	6.2
317.24811	2.6
335.25778	22.8
436.86230	2.8
439.31747	5.7
457.33221	8.6
513.35516	11.2
531.36707	22.5
549.37244	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	549.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01865	7.2
55.05510	19.9
57.03425	12.1
57.07057	4.4
60.07503	2.9
62.79149	2.7
65.03940	3.0
67.05498	100.0
69.03416	5.6
69.07065	19.5
71.04984	7.0
71.53244	3.3
79.05484	44.4
81.03422	5.6
81.07050	96.9
83.04980	8.0
83.08640	8.4
85.06527	5.6
89.35909	2.6
91.05470	49.4
93.07031	53.8
94.81908	2.7
95.04963	8.8
95.08595	49.7
97.06525	5.8
97.10158	7.8
105.07025	46.1
107.08582	53.4
109.06526	8.9
109.10143	72.0
109.10840	5.0
113.06010	3.8
117.07018	6.1
119.08578	12.0
121.10146	21.5
123.11696	17.6
123.83674	3.0
127.07572	3.6
130.98094	3.4
131.08551	15.9
133.10136	71.1
135.11687	13.7
136.38904	2.7
137.13222	4.3
145.10091	10.8
147.11679	5.5
149.13280	10.1
151.11182	38.4
152.92960	2.9
157.10205	3.5
159.11670	6.6
161.09631	3.6
161.13255	5.0
163.14832	3.9
169.12292	9.7
173.13193	7.1
177.05365	3.4
179.10655	3.2
187.14874	5.5
215.12851	6.4
243.21060	8.1
253.14326	93.0
253.16881	5.7
261.22101	39.9
271.15427	31.3
279.23221	3.5
317.24649	5.6
335.25717	34.8
377.32358	6.1
439.32196	5.6
513.35626	6.9
531.36707	24.4
549.38995	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	549.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01863	4.2
55.05508	20.6
57.03425	6.5
57.07059	3.2
65.03926	3.5
67.05495	83.9
69.07068	18.5
71.04979	6.0
71.26207	4.1
71.26565	2.4
78.98534	1.7
79.05017	2.3
79.05485	47.9
79.05918	4.2
81.03416	2.9
81.07050	74.1
83.04974	8.4
83.08611	9.4
85.06542	6.7
86.50638	1.7
91.04899	3.6
91.05467	69.3
93.07034	56.3
95.04957	11.6
95.08599	45.9
97.06511	3.2
97.10143	3.5
97.66705	2.0
105.07023	54.7
107.08588	53.7
109.06510	6.5
109.10147	65.7
111.08060	2.2
113.05972	2.9
117.06995	14.0
119.08546	23.4
121.10132	21.5
123.08082	2.8
123.11692	12.1
125.09686	2.1
128.06204	2.0
131.08537	12.5
133.10118	100.0
135.11658	14.8
137.13219	1.8
143.08560	7.9
145.10114	9.9
147.11702	7.6
149.13252	8.3
151.11163	49.0
157.10161	2.6
158.26643	1.9
159.11726	7.3
161.09598	19.0
161.13225	5.9
163.14809	4.0
169.12201	9.7
171.11786	3.2
173.11743	6.9
173.13278	5.3
177.16379	2.0
179.10658	22.9
183.11621	2.2
187.14864	5.1
197.11697	8.3
215.12752	34.4
227.16437	4.6
229.14415	4.1
237.16409	2.3
243.21054	5.4
253.14317	41.2
261.22095	18.7
271.15359	40.8
279.23114	3.8
317.24689	5.3
335.25687	23.8
337.27005	2.8
342.29578	1.8
377.26645	3.3
416.24612	2.1
457.32953	2.2
505.38428	2.6
513.35669	2.6
531.36786	14.7
549.37799	39.0
550.38135	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	551.1028
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
50.62933	0.2
53.03945	2.1
55.01868	1.8
57.03432	1.5
61.02916	1.2
61.60134	0.2
63.07826	0.2
65.03914	0.4
68.99782	1.7
69.03423	6.7
69.43816	0.9
69.44240	0.6
71.04978	0.9
73.02917	1.5
81.03409	8.8
82.43308	0.2
83.01298	0.3
85.02897	12.2
87.00312	0.4
87.00818	5.9
91.03944	0.5
93.03387	0.5
95.04955	0.3
97.02882	4.5
99.04453	2.5
105.01859	3.5
105.02570	0.3
109.02860	7.2
111.00794	0.9
117.01844	1.3
121.02843	0.9
123.04407	0.3
127.03902	10.2
129.01820	0.8
137.02325	3.3
145.04929	3.0
145.06084	0.3
145.06544	0.2
147.02867	0.5
153.01807	4.0
159.02881	4.1
159.04112	0.2
161.05914	0.3
163.03900	0.7
165.01811	2.1
173.05965	0.5
183.02850	0.9
183.04311	0.4
187.03845	0.2
195.02788	0.3
201.05449	2.0
219.02972	0.2
219.06567	0.3
229.04924	4.2
231.04987	1.6
232.03767	0.2
247.05994	0.7
257.04385	3.0
258.05411	0.3
274.04788	1.1
274.07254	0.2
285.03882	1.4
302.04398	0.2
303.04947	100.0
304.05234	1.6
315.04504	0.2
345.06018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67810	3.4
55.01861	7.2
55.05515	29.8
57.03428	7.1
65.03934	6.2
67.05140	5.0
67.05499	98.6
69.03418	4.1
69.07078	20.8
69.38010	23.5
69.38428	9.4
71.05002	7.5
71.98756	3.3
79.05489	51.4
79.80636	3.2
81.06594	5.7
81.07053	100.0
83.04967	13.0
83.08615	11.4
85.06523	7.6
91.05472	71.4
93.06486	5.1
93.07037	67.3
95.04961	11.6
95.08590	50.2
97.06514	6.0
105.06398	5.6
105.07024	58.9
106.56821	4.8
107.08587	50.2
108.08948	4.0
109.10147	61.0
117.06992	10.6
119.08566	35.0
121.10133	26.5
123.11676	11.7
125.09682	4.5
131.08528	18.2
133.10109	72.7
135.11653	18.0
143.08557	11.9
145.10126	17.8
147.11678	13.6
149.09610	5.2
149.13245	9.3
151.11179	27.6
157.10091	13.5
159.11664	11.9
161.09593	13.3
161.13225	8.5
163.14792	5.1
169.10146	6.4
169.12224	7.4
173.13234	4.8
175.14885	4.9
179.10597	5.1
185.13197	4.7
187.14865	5.5
197.13219	4.6
199.14696	4.5
207.11647	5.5
209.13228	5.5
215.12785	10.7
221.13223	6.4
253.14291	51.9
261.22162	25.4
263.17590	4.6
271.15359	28.2
305.51651	3.6
317.24832	4.5
335.25763	21.7
358.83881	4.5
513.35577	10.2
531.37177	13.0
549.40503	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01853	3.9
55.05503	20.7
57.03423	5.5
57.07059	3.9
65.03928	3.8
67.05496	91.0
69.03432	2.0
69.07059	18.2
71.04990	5.6
71.53065	2.5
79.05484	56.1
79.95478	1.4
81.03402	2.3
81.07047	72.7
82.07391	1.8
83.04545	1.2
83.04961	7.7
83.08617	10.3
85.06525	6.1
91.05472	84.1
93.07032	59.0
93.07629	2.1
94.07320	1.3
95.04955	17.5
95.08596	42.0
97.06525	6.5
97.10162	3.8
99.04453	2.0
105.04525	1.4
105.07018	57.5
107.08583	45.6
109.06513	4.4
109.10144	61.9
111.00469	1.2
111.08064	2.8
113.05994	5.7
115.05453	3.5
117.07005	15.4
119.08578	23.8
121.10130	19.3
123.11684	13.1
125.09586	1.7
127.07587	2.3
128.06226	5.2
131.08554	15.7
133.10115	100.0
134.10483	2.1
135.07999	3.2
135.11678	13.0
137.09598	3.5
143.08539	8.4
145.10078	7.3
147.11693	5.6
149.13217	6.2
151.11160	49.8
151.12373	2.7
153.12726	1.4
159.11700	5.7
161.09593	24.9
161.13271	4.5
163.14859	3.5
169.12206	10.4
173.11725	7.7
173.13232	5.2
175.14796	2.2
179.10645	24.8
187.14874	1.4
197.11720	7.8
215.12756	36.4
227.16335	3.2
229.14343	2.5
243.21045	3.9
253.14301	23.2
261.22064	14.4
271.15378	35.1
279.23300	2.0
289.13940	1.4
317.24670	2.2
317.61868	1.4
335.25754	21.6
377.26874	3.1
489.35333	1.9
513.35889	2.2
531.37000	11.2
549.37775	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.16
Annotation	Sessilifoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01856	0.7
57.03415	1.1
61.02917	1.7
63.13043	0.2
64.21473	0.2
67.05496	0.6
69.03423	3.8
70.17336	0.5
70.17737	0.8
73.02886	0.7
79.05476	0.4
81.03416	2.6
81.04655	0.3
81.07034	0.4
84.04454	0.3
85.02901	10.6
87.04451	0.6
91.03934	0.7
91.05477	0.5
97.02882	4.0
99.04433	0.6
103.05452	0.3
103.42576	0.3
107.04969	0.4
109.02855	1.1
109.57032	0.2
113.03162	0.2
120.08125	0.3
121.02859	0.6
123.04408	0.6
127.03922	2.6
137.02330	6.4
137.05945	0.3
139.03917	1.4
141.01831	0.5
145.04965	1.8
147.04424	0.4
149.02341	0.4
151.03838	0.3
153.01666	0.3
156.11537	0.3
157.06467	0.3
161.02289	0.5
163.03920	1.0
165.01796	0.5
175.03809	0.3
177.01886	0.4
177.05405	0.4
183.02914	0.6
185.05998	0.9
197.05875	0.3
201.05521	0.5
203.03291	0.3
203.07106	0.5
213.05446	0.6
217.04921	0.3
219.06458	0.4
219.10150	0.3
225.05421	0.3
226.08542	0.4
228.08427	0.7
231.06406	0.3
241.04936	0.4
241.10851	0.6
242.11629	0.3
253.04860	0.6
267.06424	0.4
274.08981	2.5
277.08716	0.5
281.04520	0.4
286.04681	0.3
287.05432	6.5
295.05804	0.3
299.05438	2.6
301.06982	1.3
305.08167	0.3
309.04053	0.3
311.05432	0.9
313.07034	0.5
315.04950	19.7
316.05298	0.5
323.09036	1.2
325.06882	0.4
327.05078	5.1
327.08655	1.0
329.06607	0.9
339.05008	2.8
340.05710	2.6
341.06473	1.7
341.10229	0.8
351.08588	3.4
353.06537	1.8
354.07288	3.3
369.09656	100.0
370.10004	3.5
387.10706	8.7
549.13654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1601
Annotation	Sessilifoside
Peak:m/z	Relative Intensity
53.03942	0.5
54.02084	0.3
54.88179	0.2
55.01857	1.0
55.05490	0.9
57.03419	1.1
57.18075	0.3
60.16048	0.2
61.02929	1.6
64.04910	0.3
67.05505	1.5
67.05804	0.4
68.99780	0.3
69.03426	3.8
69.71077	0.7
69.71488	1.4
70.06564	0.4
71.04974	0.4
73.02907	0.6
79.50516	0.3
81.03401	2.9
81.07024	0.8
83.01334	0.3
83.08617	0.5
85.02896	10.8
85.85522	0.3
87.04431	0.3
91.03928	0.7
91.05482	0.4
95.08584	0.4
97.02881	4.0
98.09629	0.3
98.20850	0.5
99.04437	0.5
100.11254	2.1
105.06997	0.5
109.02865	1.5
109.06454	0.3
111.04399	0.3
119.08516	0.3
120.08112	0.4
121.02843	0.9
127.03930	1.9
128.06052	0.3
135.04390	0.3
137.02335	6.5
137.03349	0.4
141.01796	0.7
145.02846	0.4
145.04958	1.6
145.06322	0.2
147.04353	0.8
149.02367	0.5
151.03906	0.4
161.02338	0.4
163.03877	1.1
165.01816	0.8
167.03314	0.5
172.50317	0.3
175.07529	0.6
177.01831	0.6
177.05522	0.3
182.15375	1.1
183.02882	0.6
183.29744	0.2
185.05980	1.0
191.03349	0.6
201.05460	0.6
203.03629	0.3
209.16481	0.6
210.14864	1.0
211.03702	0.3
213.05470	0.5
219.06535	0.7
225.05447	0.5
253.05000	0.4
261.04037	0.3
267.06665	0.3
277.08536	0.4
287.05408	1.8
295.06030	0.3
295.52579	0.3
299.05499	2.3
301.03925	0.3
301.07031	1.3
303.05090	0.9
308.06543	0.6
311.05515	1.0
313.06985	0.7
315.04938	22.0
323.09061	1.5
325.07129	0.3
326.04163	0.3
327.05060	4.7
327.08670	0.9
329.06296	0.6
336.06055	0.3
337.06949	0.4
339.04910	3.0
340.05579	2.3
341.06418	1.7
341.10229	0.7
351.08603	4.6
353.06503	1.3
354.07184	3.3
369.09634	100.0
370.10059	2.5
387.10666	10.5
388.10797	0.4
411.10281	0.4
531.39001	0.7
535.88733	0.3
549.40045	1.4
572.05103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1235
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
54.85220	0.1
68.08562	0.1
69.03404	0.2
70.06581	0.2
72.08115	0.1
81.03403	0.3
81.07045	0.1
85.02867	0.2
86.09672	0.1
87.69483	0.1
91.05448	0.2
109.02843	0.1
110.98695	0.1
123.04430	0.2
127.03855	0.2
137.05981	0.3
147.04305	0.2
149.05963	0.1
151.03835	0.4
153.01819	0.5
161.05931	0.1
163.03952	0.2
167.03421	0.2
167.06993	0.2
171.02808	0.2
195.05009	0.1
212.58368	0.1
218.30197	0.1
219.10127	0.5
229.04909	0.5
240.95950	0.1
256.33475	0.1
258.05212	13.6
259.05807	0.2
286.04691	34.1
287.05090	0.5
297.27719	0.2
301.07037	100.0
302.07370	1.3
369.09744	0.1
371.14700	0.2
387.10538	0.1
463.12320	1.8
500.82428	0.2
528.52728	0.1
531.10986	0.2
549.12274	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	549.1232
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.46308	0.2
53.03946	1.5
55.01850	0.9
57.03403	0.7
61.02905	0.7
61.53872	0.2
65.70159	0.2
67.01881	0.3
68.99771	0.7
69.03423	4.2
69.88212	0.5
69.88623	0.9
70.06568	0.4
70.75491	0.2
71.04978	0.5
73.02900	1.0
76.13963	0.2
79.29534	0.2
80.84964	0.2
81.03402	5.3
85.02899	6.4
86.09674	0.4
87.00813	2.5
90.17833	0.2
91.03901	0.3
91.05456	0.5
92.25481	0.2
93.03384	0.3
95.04935	0.5
97.02872	2.6
99.04471	1.5
101.02330	0.5
103.05405	0.4
105.01859	1.3
105.03364	1.0
105.07005	0.4
107.04942	0.9
109.02866	3.9
111.04398	0.4
117.01832	0.4
117.91190	0.3
118.92020	0.2
119.04920	0.3
123.04396	0.5
124.62024	0.3
125.02326	0.3
127.03905	5.2
129.01804	0.5
129.03378	0.4
131.04858	0.4
132.05728	0.3
133.02820	0.2
135.04398	1.2
137.02306	1.0
137.05933	0.5
145.04922	1.0
147.04369	0.5
149.02380	0.3
151.03893	0.6
157.06429	0.3
159.02882	2.1
161.02307	2.4
161.06003	0.4
163.03877	3.3
164.04695	0.4
165.01720	0.4
167.03381	13.2
167.07060	0.6
171.07971	0.4
174.06685	0.3
175.03874	1.1
175.07564	0.4
177.05469	0.7
179.03404	0.3
180.07751	0.4
181.06554	0.3
183.02914	0.4
184.05219	0.6
185.05986	0.4
189.09081	0.4
192.07797	0.6
193.04884	0.3
199.07494	1.2
202.06197	0.3
203.03291	0.5
205.04993	0.4
211.07503	0.4
212.04649	0.5
213.05449	0.3
217.08611	1.2
227.07004	2.5
230.05655	0.8
231.04691	0.4
231.06688	0.7
240.04228	1.1
243.06444	0.3
245.05968	0.2
245.08067	5.2
255.06468	5.8
258.05148	0.5
268.03638	0.4
272.06619	0.3
273.07535	1.6
283.05939	1.9
286.04663	1.2
287.05527	1.8
299.05502	2.6
300.06372	1.4
301.07022	100.0
302.07300	1.6
311.05460	1.6
313.06967	0.5
329.06500	4.6
353.06323	1.4
369.09552	1.8
395.07242	0.6
413.08740	0.3
463.20169	0.3
513.09991	0.6
531.11725	0.5
548.09137	0.3
549.12286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.159
Annotation	Sessilifoside
Peak:m/z	Relative Intensity
55.01848	1.5
61.02887	0.9
61.48289	0.6
65.03907	0.9
67.05483	1.3
68.99790	1.5
69.03424	3.5
70.06572	2.1
71.52785	1.2
72.08141	1.1
72.15768	0.9
73.02909	0.9
81.03387	2.8
83.04964	2.2
84.08120	1.3
85.02908	6.5
86.09705	0.9
87.04455	0.8
91.05463	1.7
95.04981	0.7
97.02893	4.1
102.21163	0.7
103.05496	0.8
105.07030	1.2
106.39884	0.7
107.04923	1.3
109.02858	1.7
111.04355	1.0
120.08105	5.9
121.02833	0.8
121.08434	1.0
123.04408	1.6
127.03876	2.4
130.06396	0.7
135.04376	2.1
137.02362	6.2
137.06020	1.1
137.73111	0.8
139.03888	17.5
145.04939	1.6
147.04419	1.2
151.03836	1.3
153.01788	5.9
161.02315	1.1
161.05902	0.9
163.03903	1.7
165.01768	1.0
167.03391	1.2
171.02904	0.8
177.01758	0.7
177.05367	1.8
179.03343	1.2
181.05061	0.9
183.02847	1.0
203.14317	0.7
213.05408	1.0
215.21136	0.8
234.06718	0.8
241.04901	1.6
249.11186	1.7
253.04787	0.9
258.05176	10.0
271.05942	1.3
277.08527	1.1
277.47620	0.8
286.01532	1.2
286.04675	21.6
287.05453	100.0
299.05408	4.0
301.07047	66.7
302.07397	2.1
303.06485	1.0
305.08063	1.4
311.05554	1.6
313.07065	6.1
314.07867	2.4
315.04922	21.9
316.05078	0.9
319.06030	1.0
325.07065	2.4
327.04868	3.2
327.08658	4.4
329.06375	1.5
333.07562	2.5
334.37592	0.8
339.04843	1.9
340.05750	2.1
341.06485	1.4
341.10199	1.4
343.08157	5.2
347.05377	0.9
348.06152	0.9
349.07034	3.4
351.08521	5.5
354.07208	3.1
361.06787	1.2
367.08170	1.3
369.09668	65.1
370.09872	1.6
373.06839	1.2
379.08054	3.3
387.10721	32.2
387.92584	0.8
411.10632	2.8
490.60501	0.8
499.09970	1.0
529.03497	0.7
531.15442	5.6
549.13684	16.6
550.14410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50530	3.9
53.03939	6.8
53.97973	4.6
55.05490	17.2
57.03428	22.7
61.02922	7.2
65.03923	5.8
67.05503	37.0
69.07046	8.1
71.04990	5.4
71.52809	4.4
71.53238	6.4
79.05493	48.7
81.07046	57.1
85.02909	6.1
85.06545	6.2
91.03908	4.6
91.05462	49.6
92.05778	6.8
93.07036	61.8
95.04922	8.9
95.08598	45.3
97.02882	6.0
97.10165	4.5
105.07023	38.5
107.04905	5.2
107.08579	41.7
109.06539	4.2
109.10143	19.0
117.06994	12.4
119.04901	25.4
119.08575	32.9
120.05286	10.3
121.10108	29.4
123.08057	6.2
123.11697	5.8
125.09628	6.9
125.48513	3.9
127.03918	7.3
129.07013	6.6
131.08585	20.7
133.10133	25.7
135.11664	25.3
143.08540	9.2
145.10132	16.3
147.04388	81.8
147.11682	23.7
148.04726	25.6
149.13225	10.9
157.10176	7.4
159.11679	15.5
161.05963	4.4
161.13223	18.6
162.79953	5.9
163.11172	7.5
163.14845	6.2
167.06961	5.3
173.13232	17.1
177.12860	5.3
185.13182	9.9
187.14769	7.3
219.17326	6.7
241.19440	16.5
249.08862	5.7
259.20557	30.3
269.17514	9.0
277.21609	39.9
292.10406	6.7
333.24258	9.0
351.11810	5.1
351.25217	100.0
383.14944	5.0
384.15082	13.4
406.04660	4.8
412.22174	4.9
477.28098	4.9
516.17285	9.2
563.94122	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	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14704	0.6
53.03939	3.1
55.01860	3.2
57.03425	6.1
61.02924	9.3
65.03929	0.7
67.05492	0.6
68.81702	0.5
69.03424	17.7
69.07063	0.8
69.70458	0.6
70.06595	1.8
70.68375	1.9
71.04975	2.8
72.08142	1.2
73.02908	4.1
77.03918	0.6
79.05485	16.9
81.03410	7.3
81.07051	1.2
83.04952	0.9
84.08106	1.0
84.80545	0.6
85.02896	100.0
85.06535	27.0
86.03220	0.8
86.09689	1.4
87.04467	2.3
91.03949	6.6
91.05488	1.2
93.07024	1.7
95.04968	4.1
97.02882	26.1
97.06529	0.7
97.99047	0.7
99.04449	5.3
101.02369	0.8
103.03946	1.8
105.03381	32.7
105.07024	1.1
107.04958	1.9
107.08585	0.7
109.02853	9.4
109.06506	0.6
112.77031	0.7
115.03941	1.9
119.04949	1.5
120.08065	0.7
121.06474	1.0
123.04417	73.9
124.04781	1.0
127.03905	30.7
129.10194	0.6
137.05991	2.1
141.05382	0.7
145.04942	58.7
147.04378	2.0
151.03891	1.2
151.07507	0.7
162.07552	0.7
163.06000	23.4
177.05533	2.0
189.09076	11.1
211.09668	1.9
219.10159	1.1
229.10730	4.2
264.96863	0.7
285.09656	3.9
301.07181	2.0
325.11401	1.0
369.09756	1.7
449.08990	0.7
521.77625	0.9
531.14966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01855	4.3
55.05280	2.9
55.05506	24.5
57.03424	8.7
61.02915	5.9
65.03916	3.7
67.05499	52.7
69.03391	4.3
69.07068	20.0
69.19443	36.1
79.05484	41.8
81.03400	6.5
81.06605	4.3
81.07048	53.5
83.04963	6.5
83.08614	15.2
85.02882	4.8
85.06494	3.8
91.05474	37.4
93.07038	52.8
95.04949	9.6
95.08608	32.4
97.02834	4.9
97.06520	6.7
97.10146	8.3
98.21555	6.3
105.07010	33.8
107.04935	5.0
107.08603	35.4
109.06477	5.4
109.10160	23.1
111.08117	3.9
117.06979	9.7
119.04945	7.2
119.08573	25.9
121.10112	23.4
123.11726	8.8
125.09596	6.1
129.06961	5.4
131.08530	14.8
133.10133	21.2
135.08051	3.8
135.11674	19.6
143.08578	4.3
145.10120	10.1
147.04344	16.7
147.11644	30.4
148.04704	7.7
149.13232	12.0
157.10062	8.9
159.11676	12.8
161.13213	14.0
163.14748	4.1
165.12750	7.1
171.11690	10.1
173.11674	8.3
173.13185	6.9
175.14796	5.8
184.07359	8.7
185.13246	7.7
199.14815	3.6
224.06107	3.4
229.14337	14.1
231.21100	4.4
241.19505	12.2
259.20526	30.5
277.21634	40.2
297.31885	3.2
299.41061	3.3
333.24121	5.5
351.25247	100.0
513.30615	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	548.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05276	0.4
55.05509	4.4
57.03434	3.5
57.07073	2.5
60.08138	1.4
62.06050	0.6
65.03936	0.5
67.05496	6.0
68.05849	0.4
69.06736	0.5
69.07063	7.5
71.04973	1.2
71.07348	0.5
71.08628	2.2
71.53767	0.7
73.06538	0.4
78.25343	0.4
79.05485	3.7
81.06601	0.6
81.07048	10.2
83.04961	0.4
83.08608	4.2
85.06511	1.1
85.10178	0.6
85.58384	0.4
86.09693	8.1
91.05463	2.3
93.06467	0.7
93.07027	6.8
95.04957	1.2
95.08598	10.1
97.06518	1.7
97.10146	1.4
98.98451	4.0
99.08070	1.5
104.10683	0.5
105.07005	3.0
107.08586	11.1
109.06509	3.9
109.10147	4.2
111.08052	2.2
116.99480	0.4
117.07023	0.5
119.08580	4.4
121.09328	0.7
121.10131	7.9
123.08057	13.3
123.11681	1.8
124.99989	4.0
125.09606	0.9
131.08557	0.9
133.10124	2.9
135.08087	0.9
135.11671	1.8
137.09593	1.6
137.13255	0.8
143.08623	0.4
145.10109	1.2
147.11676	1.8
149.09624	0.6
149.13237	2.9
151.11200	0.4
151.14816	0.8
155.14265	0.5
159.11682	0.9
161.07828	0.5
161.13217	1.0
163.14778	1.5
165.12665	0.5
165.16380	0.5
167.14288	2.3
173.13237	0.6
175.14818	1.2
177.12766	0.5
177.16368	3.9
179.14287	16.1
181.15862	0.6
184.07317	24.2
187.14824	0.7
205.15733	0.4
216.06219	0.9
231.15820	0.6
235.20401	0.6
259.20435	0.5
263.20068	0.6
277.21570	3.5
291.23181	1.6
291.26596	0.5
293.21161	0.5
305.28223	0.5
329.32086	0.4
333.27835	16.5
349.27353	0.7
351.28909	6.5
358.81458	0.4
371.29419	0.9
376.32129	1.6
389.30664	3.0
407.31516	100.0
408.31815	2.4
487.28238	1.0
505.29410	2.4
548.39655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77992	4.3
53.03932	10.0
53.64996	3.4
55.05505	35.7
57.03422	9.5
57.07056	9.8
59.70370	4.2
67.05498	91.1
69.07055	28.1
70.74998	12.7
71.04987	4.9
71.08630	6.1
79.05482	67.8
81.03402	9.9
81.07050	100.0
82.07362	8.1
83.08625	20.1
85.02893	6.5
85.06499	4.2
86.52332	4.3
91.05468	56.0
93.07038	62.1
94.07376	5.2
95.04951	18.7
95.08599	64.2
96.08914	5.0
97.06512	13.3
97.10143	10.5
99.08057	5.3
105.07034	38.0
107.04996	4.2
107.08586	39.3
108.08932	6.2
109.06496	10.2
109.10137	44.3
109.48901	3.9
117.06992	18.8
119.08549	37.7
121.06548	4.8
121.10132	33.9
123.08010	7.1
123.11684	13.7
125.09574	6.3
129.06958	11.2
131.08578	26.0
133.10129	33.7
135.11697	22.8
137.09541	4.5
139.11134	6.0
143.08522	7.4
145.10094	25.4
147.11664	15.3
149.13226	17.3
151.11143	4.8
157.10097	5.7
159.11697	16.4
161.13292	7.3
163.11156	6.1
163.14737	5.5
170.07959	3.9
171.11745	7.2
173.13266	7.6
175.11217	4.8
177.16470	4.7
187.14769	9.1
189.16217	5.5
197.13264	3.9
211.13316	5.0
211.21165	3.8
227.12740	5.9
229.69630	4.7
261.22125	10.2
267.16092	5.1
269.17285	8.2
277.21747	5.1
301.25296	5.2
335.25839	9.7
437.34100	20.2
455.35095	15.0
473.36215	9.0
511.37888	4.4
529.38806	67.3
547.39716	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36880	1.7
56.60717	2.0
59.90517	1.6
71.51698	2.2
71.52049	2.7
79.07733	1.9
91.26499	1.8
116.53087	2.0
118.06547	14.4
132.08086	4.5
143.07309	2.4
144.08029	9.5
146.05997	56.0
149.20638	2.0
159.09125	7.6
168.88335	1.9
170.05975	3.8
188.07057	100.0
189.07399	3.0
205.09721	37.5
232.59343	2.1
246.11383	2.3
299.22012	2.1
524.72211	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	547.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82922	0.4
63.02399	0.4
64.89913	0.4
65.03921	2.5
67.05470	0.8
69.07069	0.6
70.06579	0.8
71.52983	0.5
71.53434	0.6
72.96239	0.4
73.42435	0.5
79.05479	4.0
81.03396	0.9
81.07029	1.3
85.02888	0.7
91.05467	19.2
93.07040	0.5
95.04945	1.5
95.08544	0.6
97.10178	0.5
105.06979	0.9
107.04295	0.7
107.04945	6.9
107.08609	0.5
109.02847	0.9
109.06510	0.6
109.10145	0.9
115.05444	0.8
117.03354	0.9
119.04924	37.4
121.06493	0.7
124.05199	0.7
125.05974	0.5
127.96205	0.4
129.06937	0.6
133.06497	0.9
133.10152	0.6
136.05136	0.4
141.06972	1.7
145.02817	1.2
145.06435	0.9
147.04387	100.0
148.04739	0.8
153.05362	0.5
153.06972	0.4
157.06491	1.7
158.07239	0.5
163.03860	0.5
166.06252	0.5
167.07019	8.6
167.08435	0.7
169.06470	0.7
170.07243	2.8
173.05945	0.6
176.80675	0.5
177.05412	2.6
181.08577	0.9
185.05984	0.7
186.06754	2.0
187.07512	1.5
191.07091	0.5
191.08612	0.9
195.02985	0.7
198.06636	0.6
200.08289	1.2
201.09091	2.4
202.07782	1.2
203.08575	0.7
209.09518	0.5
215.06885	0.7
216.07741	0.9
217.08533	0.7
218.07315	0.7
219.08006	2.0
220.08812	1.1
229.08533	5.4
231.07983	2.0
231.10173	5.2
232.08810	0.6
233.05988	0.9
233.09604	1.1
234.06625	0.6
235.07471	0.7
237.09120	1.0
245.09586	1.1
247.07539	3.9
248.08322	4.1
249.09029	1.1
250.06200	1.2
259.07578	1.1
261.05423	0.5
261.09128	1.2
262.06259	0.6
262.09882	1.9
263.10565	2.9
265.08603	2.0
275.06967	1.9
276.07800	2.6
277.04749	0.4
277.08575	1.4
278.05908	0.6
279.06528	0.4
279.10269	1.0
287.05402	0.7
289.08508	0.9
290.09274	1.8
291.06775	0.7
291.10028	5.9
292.07275	1.1
293.07983	3.5
294.08969	0.5
299.05423	1.3
299.08725	0.5
300.06122	0.8
301.14243	0.7
303.06607	0.5
304.07288	0.6
305.07999	1.0
305.11792	0.5
307.09604	2.1
308.10217	2.1
311.05392	0.8
315.08441	0.6
319.09576	3.5
320.06564	0.8
321.07520	1.8
322.12006	0.5
323.12665	3.5
329.06613	2.6
335.09106	1.2
336.09824	2.3
337.10760	2.8
338.07700	1.1
350.11273	0.5
351.12204	6.2
352.13190	0.9
353.06451	0.7
353.10205	3.7
355.15622	1.0
367.11746	0.9
368.12466	4.0
383.14835	43.9
384.15439	0.5
411.14246	1.3
411.19479	0.6
435.38831	0.5
547.18024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47674	0.3
65.03935	2.2
70.97569	1.1
79.05485	2.7
91.05473	21.4
95.04950	0.6
105.07059	0.4
107.04941	6.6
115.05431	0.5
119.04932	38.2
121.06521	0.4
124.05206	1.0
125.06010	0.4
133.06543	0.5
141.06967	1.2
144.05681	0.5
147.04395	100.0
148.04752	1.6
152.04703	0.5
157.06482	1.6
158.07263	0.7
162.76889	0.3
166.06229	0.8
167.07031	7.8
169.06502	0.9
170.07253	2.8
171.08018	0.5
181.08525	0.6
185.05949	0.4
186.06711	2.2
187.07527	1.1
190.07732	0.5
198.06721	0.8
200.08330	0.8
201.09145	2.2
202.07808	0.8
203.08553	0.7
205.06595	0.6
205.08452	0.4
209.09627	0.5
211.07498	0.3
215.08621	0.6
216.07748	0.9
217.08409	0.5
217.10248	0.6
218.07275	1.2
219.08096	2.6
220.08823	1.5
222.06750	0.4
229.08569	5.3
231.08017	1.8
231.10176	5.3
232.08667	0.4
233.09592	0.8
234.06764	0.5
234.10382	0.4
235.07440	0.6
235.11151	0.7
236.08322	0.4
237.09291	0.6
245.09584	1.4
246.06889	0.4
247.07513	3.9
248.08296	3.1
249.09108	1.0
250.06300	0.6
259.07428	1.0
260.08102	0.4
261.09125	1.2
262.09933	1.7
263.07260	0.5
263.10638	3.1
264.07855	0.9
265.08527	2.4
266.09247	0.4
275.07068	1.6
276.07767	2.7
277.08499	1.6
278.05814	0.5
279.06693	0.4
279.10141	1.3
287.06979	0.5
289.08487	1.0
290.09271	1.7
291.06662	0.8
291.10065	4.3
292.07370	2.0
292.10236	0.6
293.08057	3.3
294.08716	0.5
297.11270	0.4
304.07379	0.8
305.08014	1.5
305.11697	1.3
306.05289	0.4
306.08780	0.7
307.06082	0.7
307.09589	2.6
308.10388	2.6
309.07443	0.4
309.10983	0.7
315.08426	0.5
319.09570	3.1
320.06662	0.5
320.10388	0.9
321.07587	2.0
321.10855	0.4
322.08237	0.9
322.11975	0.9
323.05539	0.5
323.12750	3.6
325.10614	0.6
335.09027	0.9
336.09799	2.4
337.10571	2.9
338.07837	0.6
340.12982	0.8
350.11441	0.9
351.12210	7.1
352.12863	0.8
353.10162	4.0
355.15417	1.0
368.12524	4.2
383.14844	47.8
384.15274	1.4
401.15497	0.7
411.13983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94961	0.2
53.03929	0.5
56.79121	0.2
64.63505	0.2
65.03922	3.1
67.05479	0.4
67.10583	0.2
70.88480	0.2
71.26546	0.3
71.26869	0.3
72.73814	0.2
79.05485	2.1
80.61275	0.2
81.07031	0.3
87.64213	0.2
89.01714	0.2
91.05470	18.4
95.04943	0.8
105.07020	0.4
107.04936	4.9
115.05457	0.3
119.04926	37.3
120.05276	0.3
124.05195	0.6
125.05967	0.4
126.32921	0.2
128.06183	0.4
129.06999	0.2
133.06433	0.4
137.05919	0.3
141.06976	1.0
144.05649	0.3
145.06485	0.5
147.04388	100.0
148.04730	1.1
152.04626	0.3
153.01807	0.5
153.05403	0.3
157.06493	0.9
158.07269	0.6
159.08168	0.2
161.05991	0.2
166.06259	0.3
167.07027	5.4
169.06483	0.6
170.07251	1.8
178.07750	0.3
181.08574	0.6
186.06760	1.7
187.07524	0.8
188.08253	0.3
190.07767	0.4
191.08582	0.7
198.06683	0.3
200.08340	0.9
201.09079	1.5
202.07828	0.7
203.08601	0.9
204.09050	0.2
205.06442	0.6
205.08315	0.3
206.07228	0.3
207.08081	0.3
209.09685	0.3
215.06755	0.3
215.08589	0.5
216.07828	0.8
217.08395	0.4
218.07288	1.0
219.08047	1.8
220.08784	1.0
222.06786	0.3
229.06464	0.5
229.08580	4.1
231.08008	1.6
231.10173	3.6
232.08784	0.7
233.05962	0.5
233.09578	1.2
234.06772	0.6
234.10431	0.3
235.07529	0.7
235.11142	0.5
236.08284	0.5
237.09105	0.5
245.05963	0.4
245.09581	0.6
246.06816	0.5
247.07524	3.9
248.08292	3.4
249.09053	0.8
250.06271	0.5
258.06735	0.4
259.07410	1.1
260.08344	1.0
261.05743	0.3
261.09091	1.4
262.06363	0.4
262.09863	1.3
263.07074	0.4
263.10645	2.5
264.07864	0.7
265.08566	1.5
266.09204	0.2
273.09064	0.5
275.07019	2.1
276.07880	2.5
277.05185	0.5
277.08566	1.7
278.05835	0.5
278.09320	0.4
279.06500	0.6
279.10089	1.0
280.10858	0.4
287.07056	0.5
289.08566	0.7
290.09210	1.8
291.06952	0.4
291.10086	4.5
292.07251	1.2
292.10797	0.6
293.08075	3.1
293.11465	0.4
294.08786	0.5
295.05878	0.3
303.06567	0.6
304.07175	0.5
305.08029	0.9
305.11755	0.7
306.08743	0.4
307.06052	0.5
307.09641	2.2
308.10373	2.2
309.10925	0.5
310.08408	0.3
315.08698	0.4
318.08829	0.7
319.09637	3.0
320.06827	0.3
320.10391	0.6
321.07559	1.6
321.10934	0.4
322.08310	0.8
322.11795	0.5
323.09210	0.5
323.12735	4.0
325.10681	0.7
326.11389	0.3
335.09064	0.7
336.09894	2.2
337.10571	3.0
338.07761	0.6
350.11237	0.4
351.12228	7.9
352.12927	0.7
353.10110	3.1
355.15320	0.7
368.12527	4.0
369.13120	0.5
383.14841	35.5
384.15036	1.0
401.15906	0.4
411.14325	0.5
517.18365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05486	0.7
57.03444	0.6
61.02893	0.7
65.03932	2.1
67.05493	2.6
69.03429	0.7
70.20967	2.2
76.75253	0.5
79.05481	1.8
81.03406	1.5
81.07011	1.2
82.60717	0.5
85.02884	1.7
91.05471	17.6
95.04961	1.0
95.29002	0.5
97.02854	0.6
105.07014	0.7
107.04960	1.7
109.10156	1.3
119.04933	36.9
123.04415	1.0
129.06975	0.6
133.06477	0.6
137.02327	2.0
147.04396	100.0
151.03992	0.8
161.06018	0.7
167.07022	1.9
179.03322	0.8
179.07059	1.6
187.07590	0.8
189.05482	0.8
190.07811	1.1
191.08575	1.0
197.04362	0.6
202.07802	2.0
203.08525	2.0
205.06549	1.5
205.08528	0.8
207.08188	0.6
209.09592	0.8
214.28227	0.8
215.08568	1.0
218.07283	2.7
219.08054	6.5
220.08888	4.0
223.07584	0.6
229.08546	0.9
229.14461	0.7
230.07246	1.5
231.08061	6.4
231.10185	1.3
232.08867	1.8
233.05952	1.6
233.09520	3.4
234.06682	1.1
234.10454	0.7
235.07544	0.6
235.11185	1.2
237.09166	1.7
243.08058	0.8
244.08749	0.8
245.09731	3.2
246.06696	1.2
247.07547	11.5
248.08325	14.0
249.09041	2.0
250.06244	2.0
258.06766	1.6
259.07526	2.7
260.08279	2.3
261.05484	1.0
261.09027	3.5
262.06525	0.6
262.07068	0.7
262.09857	4.4
263.06903	1.2
263.10666	8.2
264.07761	1.0
265.08511	6.2
269.08041	1.1
272.08368	0.8
273.08978	1.1
273.15002	0.7
274.06366	0.7
275.06949	6.4
276.07773	8.5
277.08505	4.4
278.05789	2.3
278.09329	1.1
279.06601	1.3
279.09918	1.3
287.07043	0.9
288.07803	0.8
289.08530	1.1
290.06088	1.1
290.09274	7.3
291.06882	1.0
291.10107	13.0
291.12573	0.5
292.07281	2.0
292.10748	1.3
293.08096	12.8
293.11441	1.2
294.08868	1.7
295.06213	0.6
301.14377	2.4
302.09109	0.6
303.06570	0.8
304.07343	2.9
305.08072	5.4
305.11896	1.7
306.05276	0.9
306.08691	1.3
307.06158	1.3
307.09625	4.3
308.06995	1.1
308.10403	13.2
308.13898	0.8
309.08023	0.7
309.11261	2.2
315.08603	3.4
318.08838	4.0
319.09662	10.9
320.10446	2.4
321.07581	9.2
321.11230	1.5
322.08359	2.5
322.11798	0.9
323.08844	0.8
323.12723	18.6
329.06519	19.9
330.10938	2.4
331.11526	0.8
335.08954	0.8
336.09872	19.5
337.10712	7.2
338.07928	1.0
350.11542	0.7
351.12241	29.1
352.12863	3.3
353.10254	4.8
368.12628	4.9
383.14850	87.2
384.15265	1.5
385.12738	2.0
401.15814	1.9
547.19775	1.0
547.28949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22890	0.3
64.33450	0.3
65.03932	2.2
70.77579	0.8
79.05496	2.2
81.07056	0.4
91.05475	20.6
95.04932	0.7
105.07018	0.5
107.04957	6.1
119.04930	38.9
124.05159	1.0
125.05969	0.5
128.06184	0.5
133.06433	0.5
141.06937	1.5
142.07918	0.4
143.08490	0.3
144.05685	0.4
145.06348	0.5
147.04395	100.0
148.04721	1.3
152.04672	0.6
157.06473	1.6
158.07217	0.6
166.06273	0.6
167.07031	7.2
167.51553	0.3
169.06526	0.4
170.07204	2.4
181.08563	0.7
183.21686	0.3
186.06691	1.7
187.07484	1.0
188.08351	0.5
191.08519	0.4
192.07805	0.4
198.06746	0.4
200.08336	0.9
201.09071	1.9
202.07710	0.8
203.02509	0.3
203.08492	0.5
205.06555	0.6
205.08484	0.6
216.07739	0.7
218.07281	0.6
219.08049	2.8
220.08838	1.8
221.09680	0.6
222.06902	0.5
229.08551	4.8
230.07214	0.5
231.08049	1.6
231.10155	5.7
233.05977	0.6
233.09570	0.7
234.06682	0.7
234.10304	0.4
235.07436	0.5
235.11287	0.6
237.09109	0.6
243.08018	0.4
245.09686	0.7
246.06770	0.5
247.07503	3.0
248.08290	3.9
248.38007	0.3
249.09094	0.7
250.06282	0.7
251.06830	0.5
251.10724	0.6
258.06653	0.6
259.07571	1.2
260.08313	0.6
261.05957	0.3
261.09061	1.6
262.09946	1.6
263.07108	0.9
263.10626	2.6
264.07867	0.8
265.08548	1.7
274.06238	0.5
275.07077	2.1
276.07840	3.2
277.05286	0.4
277.08411	1.6
278.05707	0.7
279.06619	0.7
279.10040	0.7
289.08621	0.9
290.06210	0.4
290.09201	1.8
291.10150	4.8
292.07281	1.5
292.10577	0.6
293.08051	3.2
294.08829	0.8
297.11108	0.4
304.07413	0.8
305.08038	0.9
305.11600	0.8
307.06155	0.7
307.09622	2.0
308.10400	2.3
309.11096	0.6
316.69128	0.4
318.08810	0.9
319.09558	3.4
320.10400	0.6
321.07520	1.9
321.10986	0.7
322.08289	0.8
322.11948	0.8
323.05414	0.3
323.12659	2.9
325.10675	0.9
330.11115	0.4
333.11066	0.5
335.09000	0.9
336.09839	2.4
337.10626	2.4
338.07773	0.9
350.11340	0.5
351.12225	6.5
352.13037	1.2
353.10196	3.1
355.15549	0.7
368.12570	4.1
383.14859	43.6
384.15143	1.1
401.15918	0.7
411.14255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33734	0.2
53.03920	0.3
57.46864	0.3
60.06904	0.2
65.03911	0.4
65.68083	0.2
67.05450	1.1
68.99747	0.4
69.03404	0.3
70.06551	0.4
70.18150	0.2
70.26996	1.1
73.02871	0.3
73.33089	0.2
76.30069	0.2
77.86119	0.2
79.05477	0.4
81.03407	0.3
81.07021	0.6
85.02853	0.4
91.05471	1.5
95.04925	0.5
95.08524	0.3
105.06986	0.9
107.04927	0.6
117.03346	0.6
117.06960	0.3
119.04923	2.5
121.02800	0.3
129.06927	0.3
133.06458	0.3
135.04337	1.4
137.02335	2.6
145.02835	0.6
145.06424	1.0
147.03232	0.5
147.04378	6.6
161.02336	1.8
163.03860	0.5
165.01808	3.5
167.03351	1.0
167.07034	0.2
173.05923	0.3
175.07480	0.3
177.01820	0.4
177.05389	0.8
179.03316	0.4
183.02881	2.0
187.07535	0.3
191.03502	0.3
191.06984	0.6
195.02892	0.3
201.05418	1.0
204.04214	0.3
207.06497	0.3
219.06447	1.0
231.10124	0.4
233.07854	0.3
245.04237	0.3
270.05090	0.3
271.05899	0.3
276.07513	0.2
281.09619	0.2
283.05969	2.9
287.05463	1.8
292.07257	0.4
295.05945	1.5
297.07541	1.1
299.05453	24.4
300.05798	0.6
301.07010	0.3
307.09622	0.5
309.07483	0.5
310.04562	0.7
311.05576	8.2
311.09058	1.7
313.06940	1.0
320.06909	0.7
321.07324	0.4
323.05490	4.1
324.06229	3.9
324.09662	0.4
325.07022	2.3
325.10672	1.2
329.06516	0.7
335.09106	6.3
337.07031	2.8
338.07751	7.2
352.09491	0.5
353.10138	100.0
354.10370	1.3
368.12350	0.3
371.11325	1.3
383.14795	2.0
385.08646	0.5
385.09909	0.3
385.12915	1.6
399.26474	0.3
458.24258	0.3
475.08661	3.3
483.36899	0.3
529.13324	41.5
530.13873	0.7
547.14008	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	546.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01853	2.7
55.05506	8.8
56.05837	1.2
57.03432	4.7
57.07053	2.0
65.03934	0.9
67.05493	17.4
68.05814	1.7
69.03417	1.5
69.07057	10.3
69.50497	6.0
71.04980	2.2
71.08623	5.1
79.05483	10.4
80.05824	1.3
81.03400	2.3
81.07047	20.6
82.07365	2.1
83.04974	1.8
83.08605	5.6
85.06524	1.2
91.05475	8.8
92.05809	1.5
93.07031	13.4
94.07374	1.4
95.04953	2.4
95.08599	16.0
96.08914	1.5
97.06523	2.7
97.10155	3.4
98.21494	1.5
98.98444	3.3
99.08067	2.4
105.07008	11.2
106.07330	1.0
107.04943	1.2
107.08582	14.4
109.06503	7.5
109.10146	7.4
110.10517	0.8
111.08056	1.6
113.70698	0.7
117.06989	2.8
118.07266	0.7
119.08561	12.9
121.06457	1.4
121.10126	8.4
123.08057	13.9
123.11681	3.4
125.09627	2.5
129.06975	1.2
131.08557	5.8
132.08865	1.2
133.10115	9.1
134.10423	1.5
135.08023	9.3
135.11662	3.4
136.11971	0.9
137.09625	2.3
137.13239	0.9
143.08556	1.1
145.10086	3.5
147.11662	7.0
149.09604	2.5
149.13203	3.5
151.11313	0.8
155.08508	1.1
157.10104	3.0
159.10463	0.7
159.11664	4.7
160.12178	0.8
161.09602	2.8
161.13239	2.7
163.11169	0.8
165.12801	1.7
167.14273	1.7
171.11708	0.9
173.13196	2.1
175.14812	6.3
177.12697	4.1
177.16406	1.1
178.74915	0.8
179.14287	23.5
187.14801	1.3
191.14337	0.9
193.12230	1.6
193.15907	1.6
198.05347	0.9
199.14716	0.9
205.15820	4.0
216.06331	1.6
221.15416	0.8
227.12724	1.6
228.12971	1.2
231.15898	1.3
256.11661	0.7
261.22089	1.9
263.20047	1.6
267.15878	1.4
268.16226	1.6
275.20044	1.4
276.20117	0.8
281.21097	0.9
289.21564	6.7
289.24756	1.1
293.21082	2.7
303.26807	1.4
319.22574	2.1
331.26297	12.5
336.26077	0.9
337.23669	0.8
347.25864	1.0
349.23389	1.3
349.27252	8.0
361.27274	1.4
369.27826	1.0
374.30603	2.3
375.29059	2.1
385.44574	0.7
387.28925	6.7
405.29941	100.0
406.30359	3.0
416.94421	0.8
419.41736	0.7
436.33167	1.0
454.33987	1.5
472.35367	1.4
475.57669	0.9
485.26599	1.4
503.27710	5.1
528.37659	7.4
546.38666	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.6
53.08290	1.8
55.01859	3.5
55.05506	34.4
57.03440	12.6
57.07060	4.1
58.06581	1.9
64.68694	2.3
65.03946	4.6
67.05498	79.5
69.03416	4.1
69.07060	21.1
69.47845	15.2
71.04986	4.1
79.05486	51.3
81.03410	26.2
81.07048	64.1
83.04968	7.5
83.08613	21.3
85.06532	3.4
91.05472	34.4
93.07036	46.8
95.04953	23.2
95.08596	46.8
97.06510	5.4
97.10149	23.6
103.87596	2.2
105.07018	37.3
107.04947	5.8
107.08588	34.3
109.06510	4.4
109.10144	32.2
111.08052	5.3
115.05441	3.4
117.07003	19.8
119.08572	31.6
121.06474	8.1
121.10132	22.2
123.08070	6.3
123.11691	8.3
125.09628	20.6
129.06985	11.1
131.08540	29.3
133.06467	3.1
133.10121	24.6
135.08043	6.2
135.11659	11.8
137.09572	4.0
137.13222	2.8
141.07011	2.7
143.08545	11.7
145.10109	19.5
147.08018	2.9
147.11658	14.6
147.17422	1.9
149.09644	5.4
149.13251	7.2
153.09120	3.1
155.08549	3.4
157.10080	11.1
159.08005	2.1
159.11691	16.9
161.09639	2.3
161.13196	9.7
161.76106	2.0
163.11153	4.0
163.14737	2.2
167.36307	1.9
169.10150	4.5
171.11615	10.2
173.11865	3.0
173.13187	12.5
175.11224	5.6
175.14861	5.0
177.05478	3.9
181.10185	2.2
183.11711	4.5
185.13203	4.8
187.14796	6.3
189.11151	11.3
191.14230	2.4
193.12231	7.5
199.14832	4.8
201.16486	2.7
209.13275	3.3
211.14888	3.4
227.12698	15.2
233.15305	2.9
237.16545	2.3
243.21011	3.9
247.16933	3.1
261.19559	3.3
261.21994	13.2
267.15851	23.8
273.18475	2.8
279.23077	2.5
283.24289	3.5
285.22119	7.2
287.20041	2.8
289.21600	2.2
299.23795	3.2
301.25232	21.9
317.24741	3.5
323.23340	2.2
327.22827	2.0
329.21231	3.0
335.25772	19.7
343.22684	2.8
359.25854	3.1
403.24780	2.7
417.26114	1.9
417.31244	2.7
421.25812	2.6
425.33875	2.1
435.32480	8.0
437.51340	1.9
449.29153	2.7
453.33707	17.7
471.34836	13.8
509.36029	4.0
527.37262	66.2
528.37384	3.1
545.38306	100.0
546.38647	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01850	7.1
55.05507	47.2
55.27701	2.3
57.03426	13.1
57.07064	4.6
65.03916	6.2
66.84404	2.2
67.05496	94.4
69.03416	5.8
69.07056	22.3
71.04980	5.5
71.08601	3.8
71.30233	4.5
79.05485	65.4
81.03413	37.6
81.07047	87.8
83.04954	10.0
83.08611	26.5
85.02892	4.8
85.06522	4.7
87.42029	2.5
91.05470	56.0
93.07033	68.5
95.04958	31.9
95.08594	55.8
97.02911	2.3
97.06510	8.1
97.10155	26.1
97.20524	2.2
99.08105	2.4
103.06868	2.1
105.06326	2.3
105.07022	46.2
107.04953	13.8
107.08579	40.7
109.06508	9.8
109.10150	34.1
111.08045	8.1
115.05439	3.1
117.07016	19.1
119.08559	39.0
121.06516	12.4
121.10128	24.4
123.08059	6.4
123.11684	9.4
125.09621	20.2
129.06975	14.6
131.08557	33.0
133.06421	3.4
133.10107	28.1
135.08069	7.9
135.11638	15.5
137.09575	4.5
141.07033	3.2
143.08534	7.8
145.06467	3.7
145.10109	25.9
147.08014	4.3
147.11673	20.3
149.09630	7.9
149.13254	7.0
155.08545	4.9
157.10097	11.4
159.08003	2.9
159.11670	14.2
161.09618	3.8
161.13217	7.7
163.11127	3.3
163.14803	5.3
169.10037	2.9
171.11670	6.9
173.13216	12.6
175.11140	7.6
175.14780	5.8
177.16295	2.6
179.14261	10.5
183.11703	5.8
185.13225	4.6
187.14833	7.3
189.11218	12.1
193.12219	15.4
197.13239	4.2
199.14748	2.9
201.16364	2.7
211.13237	4.2
213.16380	3.6
227.12721	15.7
243.21002	3.6
249.18622	3.1
259.16583	2.9
261.22095	14.4
267.15884	26.4
276.87631	2.4
277.21613	7.0
279.23166	5.3
285.22107	6.2
287.19940	3.2
301.21851	4.0
301.25162	26.8
317.24875	3.3
335.25858	18.2
359.25354	3.0
421.25812	4.1
435.27057	3.1
435.32510	8.1
453.33777	17.3
471.34598	13.3
509.35516	3.8
527.37268	57.2
545.38281	100.0
546.38281	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01849	5.7
55.05505	29.2
57.03433	9.3
57.07062	2.1
58.72226	1.5
65.03944	2.3
67.05133	3.5
67.05497	68.3
69.03418	4.4
69.07056	17.2
70.14033	6.2
71.04974	5.0
79.05486	45.8
81.03411	25.1
81.07048	65.0
83.04966	5.6
83.08611	23.9
85.02892	2.0
86.09731	1.7
91.05472	38.8
93.07031	44.1
95.04963	18.8
95.08599	44.0
97.06512	6.7
97.10157	22.9
105.07019	32.2
107.04929	6.6
107.08570	25.2
109.06504	5.6
109.10152	23.6
111.08054	6.4
115.05418	2.9
117.07010	16.9
119.08572	29.4
121.06495	7.2
121.10130	17.8
123.08036	5.5
123.11716	10.3
125.09608	15.2
128.06168	1.9
129.06970	9.0
131.08559	25.4
133.06502	4.1
133.10114	20.0
135.08037	6.0
135.11684	12.0
137.09592	3.7
141.06924	1.8
143.08546	11.0
145.06511	2.9
145.10104	19.9
147.08028	4.4
147.11687	13.8
149.09605	5.6
149.13249	7.5
151.11139	2.8
153.09140	2.5
155.08507	5.4
155.10695	1.9
157.10118	9.9
159.11690	17.6
161.13254	10.6
163.11105	2.8
163.14867	4.5
169.10106	5.0
169.64136	1.7
171.10298	2.6
171.11687	7.9
173.09657	2.1
173.11842	3.4
173.13132	10.1
175.11166	3.9
175.14812	4.4
177.12776	3.4
183.11638	5.5
185.13286	6.3
187.11234	2.4
187.14832	3.5
189.11292	10.5
189.12726	2.1
193.12184	11.6
195.11726	2.2
197.13242	3.5
199.14819	4.3
200.81528	2.2
201.16409	3.7
205.15814	2.6
211.13171	2.7
211.15027	2.7
227.12767	12.6
233.15282	2.1
243.15921	1.9
243.20976	3.1
247.17049	3.3
261.22104	12.4
267.15845	21.6
279.23047	2.4
281.21243	2.0
283.24225	2.4
285.22110	6.1
287.20026	3.7
299.23734	4.9
301.25192	24.2
317.24561	2.4
335.25763	16.6
357.27798	2.1
359.25748	4.9
403.24805	4.0
417.31570	4.3
421.25775	4.5
435.27371	4.2
435.32526	11.8
453.33676	18.8
471.34625	13.2
475.30515	2.2
509.36523	3.8
527.37256	69.9
545.38306	100.0
546.38782	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03936	5.5
55.01857	4.3
55.05239	1.2
55.05506	16.3
56.19288	0.9
57.03425	3.4
57.07076	2.5
62.19138	0.9
65.03934	3.1
67.05498	45.7
69.07058	12.1
70.11234	4.1
71.04983	2.4
79.05486	56.0
79.72146	1.0
81.03401	3.3
81.07046	44.8
83.04965	5.4
83.08612	9.1
85.06500	1.1
91.05473	30.3
93.07036	68.4
95.04964	12.1
95.08595	55.2
97.02874	4.6
97.06522	5.6
97.10164	2.2
99.04442	2.9
104.21609	1.0
105.04499	1.3
105.07009	19.9
107.04949	8.3
107.08582	42.3
109.06517	3.0
109.10136	10.7
111.04467	1.7
111.08042	1.7
115.05453	1.4
117.06999	15.9
119.08569	18.2
121.06479	6.6
121.10133	25.1
123.08077	1.2
123.11706	2.4
125.06011	2.8
129.06987	1.7
130.07777	3.0
131.08565	9.2
133.10117	11.5
135.08041	2.2
135.11676	53.6
137.13316	1.5
139.07507	1.4
145.10115	30.2
146.01448	1.1
147.08060	1.3
147.11676	3.9
148.01071	0.9
149.09546	1.0
149.13202	4.7
159.11714	3.1
161.13210	3.1
163.11162	56.0
165.54111	0.9
173.09494	1.4
173.13293	2.6
177.16309	0.9
181.12190	12.7
187.14766	1.4
191.10677	1.5
209.11742	1.9
227.12752	100.0
243.21054	2.8
261.22104	7.9
275.20139	2.9
317.24808	2.1
378.01285	1.2
395.64691	1.1
451.31970	1.3
525.35376	1.3
543.36749	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	1.0
51.04082	0.8
52.23424	0.8
53.03944	5.0
55.01858	3.4
55.05505	14.2
57.03425	3.6
57.07059	2.3
60.86454	0.9
65.03938	2.5
67.05498	40.6
69.03415	2.5
69.07059	11.5
70.74791	2.7
71.04974	2.7
73.02896	1.4
77.03918	1.1
79.05486	45.8
80.14363	0.8
81.03407	2.3
81.07047	33.1
83.04966	3.8
83.08616	7.5
91.05468	22.8
93.07036	53.6
95.04955	10.4
95.08597	42.8
97.02878	2.5
97.06523	3.7
97.10159	2.2
99.04433	3.2
105.04488	2.7
105.07019	15.2
107.04955	7.2
107.08582	30.2
109.06487	1.8
109.10138	8.1
111.08077	1.8
115.05418	1.1
117.07004	12.0
119.08569	14.5
121.06456	4.7
121.10117	20.4
123.08077	0.8
123.11690	1.3
125.05981	1.9
129.07013	2.1
130.07773	2.4
131.08551	8.2
133.10159	7.4
135.08052	2.5
135.11676	41.7
136.83536	1.0
139.07515	1.3
140.19753	0.9
143.08563	1.4
145.10106	25.8
147.11676	2.7
149.09512	1.2
149.13254	3.9
159.11693	3.1
161.13219	1.8
163.11162	48.6
163.14835	1.4
173.13286	2.4
175.14786	1.0
179.14270	0.9
181.12199	10.6
197.13431	1.0
209.11696	2.4
227.12758	100.0
228.13188	2.0
233.49800	1.0
239.83195	1.0
243.21194	1.6
257.19009	1.0
261.21979	5.4
275.20099	3.3
303.23880	1.0
317.24759	2.3
346.75275	0.9
372.95584	1.1
469.32889	1.2
494.25146	0.9
543.36755	55.9
544.37457	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	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06335	0.6
69.52677	2.0
69.53095	2.0
81.92152	0.5
85.02885	1.2
85.89702	0.5
87.81590	0.5
94.45692	0.5
99.05239	0.5
109.54446	0.5
127.03941	0.6
143.01822	0.5
232.03511	0.7
363.06744	3.2
381.07928	16.2
397.69424	0.7
410.44385	0.6
543.13184	100.0
544.13647	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	543.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79071	0.8
54.58241	0.9
57.18438	0.9
60.22305	0.8
67.05491	1.6
69.03410	1.0
69.07059	0.8
70.06584	5.8
71.04974	2.2
71.52754	1.2
71.78423	0.8
72.08141	2.1
74.06134	0.8
81.03403	1.0
81.07040	1.5
84.04492	1.3
84.08141	1.5
85.02898	1.6
86.09704	3.9
91.05487	2.0
93.07027	1.7
95.04961	1.3
95.08604	1.6
97.06532	1.3
105.07019	1.3
107.04942	1.7
107.08578	1.5
119.01945	1.5
119.08576	1.4
120.08103	1.2
121.10088	0.8
123.04435	1.6
127.03929	1.2
127.20873	0.9
133.10080	1.1
145.02759	1.1
163.03973	1.7
163.08479	0.8
203.05228	1.7
225.13339	8.8
227.05228	1.1
243.99173	1.0
245.06319	6.7
248.15057	1.0
275.08902	1.2
277.17737	34.8
279.19284	3.1
287.03674	4.6
289.05276	100.0
293.10257	1.8
295.18030	2.0
303.92734	0.9
306.79739	1.0
337.18600	3.6
344.58447	1.0
366.61676	0.8
423.18561	1.0
499.25116	8.5
543.24127	78.0
544.24377	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03931	4.9
55.01866	4.3
55.05505	21.9
55.49336	0.7
57.03437	5.1
57.07054	2.3
61.02908	0.7
65.03934	3.4
67.05499	52.5
69.03415	2.5
69.07060	15.9
69.25615	9.0
71.04976	3.4
71.08604	1.5
73.02894	1.3
79.05483	58.9
81.03408	8.5
81.07047	51.0
81.07455	1.0
83.04962	6.0
83.08610	11.7
85.02911	1.2
85.06514	2.0
88.82162	0.7
89.61538	0.7
91.03929	1.2
91.04900	1.6
91.05468	32.4
93.07031	74.8
95.04954	16.0
95.08596	54.0
95.09070	0.9
97.02890	5.4
97.06518	6.0
97.10158	2.2
98.21479	1.5
99.04435	3.3
99.08070	1.6
103.05453	0.9
105.04504	1.7
105.07020	25.8
107.04937	10.4
107.08578	44.2
109.06521	3.7
109.10145	9.4
110.81339	0.8
111.04485	1.3
111.08062	2.3
111.11659	0.9
115.05424	1.4
117.07001	18.2
119.06020	1.0
119.08571	22.5
121.06503	8.0
121.10128	24.9
123.08028	2.3
123.11681	2.2
125.05982	2.8
125.09568	1.6
126.71616	0.8
128.06239	0.9
129.07002	3.2
130.07800	2.0
131.08554	11.8
133.06503	0.9
133.10120	12.6
135.08064	2.3
135.11674	45.8
137.09576	1.9
139.07535	2.5
139.11208	1.1
141.07071	0.8
143.08540	4.4
145.06482	1.5
145.10104	32.1
147.08070	1.3
147.11670	5.7
149.09616	3.1
149.13266	5.3
151.11182	1.3
151.95702	0.9
155.08513	2.2
157.10146	2.9
159.11685	6.6
161.13249	5.7
163.11159	51.1
163.14815	1.4
165.12695	1.2
167.08513	1.4
169.10130	2.3
171.11682	2.3
173.09595	2.5
173.13197	4.5
177.12749	1.3
179.14316	3.1
181.12206	11.9
183.11635	1.1
185.13214	2.0
187.14862	2.6
189.12753	1.1
191.10573	1.5
193.12213	1.5
195.11641	0.8
199.14865	0.9
201.12842	0.9
209.11781	2.9
209.90489	0.8
211.14835	1.1
215.17967	0.8
225.16383	0.9
227.12752	100.0
228.13158	1.0
243.21062	2.2
259.20645	1.6
261.22141	8.0
265.46365	0.8
271.20557	0.9
275.20041	5.3
277.21735	2.6
299.23761	1.3
317.24811	2.2
333.24371	0.9
433.31210	1.2
451.32086	3.5
469.33194	2.0
498.13712	0.9
525.35846	5.1
543.36755	69.0
544.37213	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	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	3.0
53.03946	13.7
55.01870	3.0
55.05509	28.0
57.03438	3.1
57.07065	10.6
60.08505	2.6
65.03934	6.7
67.05498	79.0
69.07068	20.7
69.25986	26.6
70.06599	5.4
71.04999	2.8
71.08613	6.9
73.06564	2.9
79.05486	100.0
81.03416	10.7
81.06590	4.7
81.07050	77.4
83.04974	9.6
83.08620	13.0
88.07627	7.2
91.05470	76.1
93.07035	87.1
95.04966	28.4
95.08598	45.1
97.02897	2.6
97.06516	4.6
97.10154	5.3
102.09167	4.7
105.07024	44.0
107.04962	5.3
107.08589	30.0
109.02888	12.8
109.06518	6.8
109.10157	13.0
117.07007	14.2
119.08563	29.3
121.10138	22.3
123.08034	5.0
127.03901	9.6
128.06235	3.6
129.07011	14.8
131.08563	14.7
133.10103	15.4
135.11679	11.6
143.08572	9.5
145.10101	15.4
147.11684	33.7
149.13211	3.5
157.10123	3.4
159.11678	7.5
161.09663	5.3
161.13284	11.5
169.04944	4.9
171.11664	26.3
173.13309	6.2
185.13298	3.4
189.12727	10.4
207.13751	30.8
225.56657	2.5
256.26324	12.6
257.26657	5.4
261.22137	5.7
275.20313	3.4
283.26593	3.8
311.29446	9.1
312.29922	7.0
416.37259	2.6
425.85312	2.7
473.00391	3.0
540.53662	8.1
541.38873	98.5
541.53455	40.0
542.38940	4.2
568.29669	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	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.01852	3.5
55.05508	23.7
57.03427	2.2
57.07050	3.0
65.03929	3.8
67.05498	76.6
69.07056	19.2
71.04976	2.5
71.53515	3.2
79.05483	100.0
81.03400	8.8
81.07047	57.7
81.07529	3.0
83.04975	10.2
83.08611	10.3
85.06533	2.3
91.04900	4.4
91.05466	65.2
93.07035	81.3
95.04960	21.0
95.08596	46.8
97.06516	5.7
97.10150	3.4
105.04494	4.0
105.07020	48.6
107.04933	5.7
107.08582	24.4
109.06514	8.4
109.10157	11.6
111.08039	1.9
115.05460	2.1
117.06995	13.0
119.08571	28.8
121.06515	3.1
121.10133	17.8
123.08054	6.1
123.11697	3.6
127.07547	2.9
128.06245	2.6
129.06992	14.1
131.08548	10.9
133.10124	17.2
135.11652	9.8
143.08507	9.8
145.10065	12.8
147.11649	27.2
149.13246	3.3
157.10085	3.0
159.11714	8.5
161.09729	2.8
161.13225	14.5
163.14812	2.7
171.11678	23.2
173.13202	4.3
179.14230	3.1
183.11755	3.0
189.12775	10.4
199.14861	2.7
207.13786	22.1
244.75291	1.9
261.22180	4.9
317.24588	2.5
329.47330	2.1
344.04242	2.4
368.54163	2.1
449.34360	3.0
540.54431	2.4
541.38818	83.4
541.53503	4.1
542.39185	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	541.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69471	3.5
53.47931	3.3
55.05502	16.2
57.03414	5.4
57.07072	5.5
67.05490	26.3
69.03415	14.7
69.07052	25.5
70.00918	18.7
70.06578	15.6
71.04971	9.8
72.08148	5.6
79.05461	8.4
81.07047	100.0
83.08600	12.6
84.04467	3.5
84.08144	8.9
85.02883	11.5
85.06532	72.8
86.09693	9.5
91.05479	12.9
93.07018	34.1
95.04972	9.1
95.08594	60.4
97.02883	6.9
97.06516	18.8
97.10155	5.6
99.08081	13.7
105.07017	43.3
107.08572	44.5
109.02843	4.7
109.06498	5.7
109.10140	38.2
111.08070	18.7
113.06005	7.0
113.09624	7.9
119.08558	15.2
120.08074	8.0
121.10136	27.4
123.11684	32.8
125.09645	7.3
127.07531	7.6
129.09102	7.0
129.25710	3.7
131.08533	4.2
133.10089	13.5
135.11673	16.8
137.09595	5.4
137.13271	10.2
139.11169	24.9
145.10124	6.7
147.04382	4.1
147.11646	37.9
149.13231	13.7
151.11121	7.7
153.12741	10.5
159.11658	12.0
161.13249	9.9
162.72424	3.4
163.14795	10.6
165.12717	22.4
173.13225	6.9
175.14764	7.2
177.16466	6.0
183.13782	68.1
191.07004	3.9
203.17908	7.5
205.19524	4.4
215.17961	17.8
220.11772	3.5
221.18925	8.2
233.18971	13.2
239.19987	25.8
251.20003	68.2
259.74561	3.9
269.21146	14.4
271.24167	4.0
277.25262	4.1
289.05481	4.8
289.25296	9.3
307.26248	22.5
310.10287	3.4
317.06458	9.7
325.27121	4.7
361.29468	4.6
399.66144	4.3
471.06189	3.6
497.23898	4.6
526.34283	4.2
541.22327	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	543.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80558	0.6
58.93611	0.5
69.35339	5.9
80.05524	0.7
86.80637	0.8
93.23367	0.7
111.18842	0.7
158.52032	0.7
168.46069	0.7
228.00215	0.7
233.45946	0.7
311.67355	0.7
363.06668	3.3
381.07855	14.0
543.13184	100.0
544.13684	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68915	0.5
53.03929	2.0
55.01848	1.8
55.59783	0.6
65.03924	3.2
67.05491	1.2
69.03394	0.6
70.06597	2.9
71.52941	0.6
72.08123	1.0
75.04471	4.5
78.04684	2.9
79.05470	2.1
79.98937	0.5
81.03407	1.0
81.07059	0.7
84.04475	0.7
84.08136	1.1
85.02904	2.9
86.09689	1.6
89.03899	2.2
89.06034	1.7
91.05471	12.0
92.25377	0.5
93.03397	10.7
93.07037	6.2
95.04966	5.1
97.06528	2.5
103.05463	3.8
104.10723	0.6
105.04514	0.7
105.07018	1.1
106.04158	24.6
107.04946	2.8
109.02854	0.6
109.06465	0.7
111.04426	1.2
117.03371	1.2
119.04920	1.3
120.05682	1.0
121.06491	26.0
123.04405	2.1
123.08051	0.9
124.05199	0.6
125.05983	6.8
130.53951	0.5
131.04906	1.5
133.06487	0.7
134.03610	4.5
135.04408	1.3
135.66405	0.5
136.07533	0.6
137.05946	4.1
138.06715	0.6
139.07507	2.4
145.02818	1.1
147.04385	0.7
148.05159	2.3
149.05969	39.6
151.03882	0.9
151.07521	1.9
153.05443	1.5
153.09087	10.6
161.05923	0.9
163.03911	1.0
163.07500	1.9
165.05437	1.1
166.06215	1.5
167.07033	2.3
177.05460	22.5
181.08574	18.5
190.00757	0.8
191.06979	2.7
195.06569	0.7
208.01895	0.9
209.08070	100.0
210.08423	1.0
215.89932	0.6
223.04248	7.3
245.31827	0.6
272.87512	0.5
312.08911	1.3
320.96692	0.6
357.87540	0.5
369.13098	0.6
387.13745	0.6
494.46075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.75026	3.2
56.96555	12.2
57.03437	4.2
57.09911	3.7
67.05498	6.2
69.03425	7.3
69.52622	25.7
70.06576	12.4
72.08149	5.8
75.47347	3.8
81.03400	3.8
81.07047	5.9
83.04993	3.3
84.04448	4.0
85.02906	5.5
86.09691	6.5
90.93507	3.2
91.05477	5.5
93.07047	4.8
98.97564	13.3
105.07031	4.8
107.04947	3.8
109.02887	4.1
109.58009	3.2
116.98612	11.6
119.08617	3.8
120.08051	9.9
127.03926	4.9
131.00206	5.8
134.99689	4.5
142.40817	3.3
147.04387	3.5
149.01213	4.5
153.04066	3.5
153.05330	4.0
158.99611	6.7
161.09630	4.1
173.01186	4.2
175.02753	4.8
177.00693	8.0
191.02213	6.2
219.01813	5.3
233.03308	4.4
241.11090	4.2
265.11139	10.7
265.97015	4.1
275.13129	4.5
293.14270	10.8
303.01224	5.6
305.02573	25.9
329.06747	5.6
335.15384	18.5
345.09692	16.7
352.16235	3.4
389.06363	3.9
428.34949	3.5
455.19217	15.5
487.48807	3.4
497.21436	17.4
541.20520	100.0
541.32977	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.75026	3.2
56.96555	12.2
57.03437	4.2
57.09911	3.7
67.05498	6.2
69.03425	7.3
69.52622	25.7
70.06576	12.4
72.08149	5.8
75.47347	3.8
81.03400	3.8
81.07047	5.9
83.04993	3.3
84.04448	4.0
85.02906	5.5
86.09691	6.5
90.93507	3.2
91.05477	5.5
93.07047	4.8
98.97564	13.3
105.07031	4.8
107.04947	3.8
109.02887	4.1
109.58009	3.2
116.98612	11.6
119.08617	3.8
120.08051	9.9
127.03926	4.9
131.00206	5.8
134.99689	4.5
142.40817	3.3
147.04387	3.5
149.01213	4.5
153.04066	3.5
153.05330	4.0
158.99611	6.7
161.09630	4.1
173.01186	4.2
175.02753	4.8
177.00693	8.0
191.02213	6.2
219.01813	5.3
233.03308	4.4
241.11090	4.2
265.11139	10.7
265.97015	4.1
275.13129	4.5
293.14270	10.8
303.01224	5.6
305.02573	25.9
329.06747	5.6
335.15384	18.5
345.09692	16.7
352.16235	3.4
389.06363	3.9
428.34949	3.5
455.19217	15.5
487.48807	3.4
497.21436	17.4
541.20520	100.0
541.32977	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	539.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.1
57.03425	12.2
57.07071	43.7
64.10519	6.6
67.05492	29.9
69.07053	23.6
71.08634	31.9
71.53018	10.9
73.36826	5.8
75.85341	6.8
79.05487	34.4
81.07046	43.6
83.08604	21.8
85.10169	18.0
91.05473	12.7
93.07024	47.2
95.04939	13.0
95.08604	63.4
97.10151	12.1
100.07634	7.7
105.07007	15.5
107.04948	8.8
107.08577	25.9
109.10121	14.1
109.96645	5.9
117.07009	11.5
119.08552	13.3
120.21322	5.5
121.10110	15.7
131.08545	7.9
135.11717	39.3
145.10089	28.6
157.53526	6.4
163.11156	53.4
166.99110	5.6
177.79375	6.0
181.12167	14.1
227.12753	100.0
283.15442	37.2
313.27359	91.7
487.78134	6.4
521.38293	49.0
539.38422	32.5
562.28192	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	540.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.0
53.25784	0.6
55.01863	2.0
56.05016	1.0
65.03927	2.8
67.05482	1.4
68.99779	0.8
69.07048	0.7
69.23008	6.5
70.06590	5.6
70.07410	0.7
72.08151	1.4
75.04469	3.7
78.04695	3.6
79.05468	2.3
81.03349	0.8
84.04484	2.2
84.08136	1.9
85.02895	4.1
86.09700	3.7
89.03898	1.7
89.06010	0.8
91.05473	12.1
93.03403	11.9
93.07042	5.5
95.04977	5.0
97.06538	3.7
103.05470	4.8
105.04494	0.9
105.06991	1.0
106.04167	28.2
107.04939	2.3
109.06499	1.4
110.07166	1.2
117.03359	1.0
119.04924	1.9
121.06496	30.8
123.04423	1.6
123.08095	0.8
124.05177	1.1
125.05989	7.4
129.10229	0.9
131.04901	1.3
131.05858	0.7
133.06496	1.0
134.03606	3.4
135.04381	1.2
136.07613	0.9
137.05995	4.5
138.06726	1.5
139.07539	3.2
145.02753	0.9
148.05159	2.5
149.05966	45.3
151.03914	0.9
151.07492	2.4
153.05428	2.0
153.09088	13.6
161.05998	0.8
162.01357	0.8
163.03821	1.0
163.07568	2.0
166.06279	1.6
167.07042	2.6
177.05464	25.0
180.07841	0.8
181.08592	19.0
181.10217	0.9
191.06963	2.1
195.06313	1.0
209.08075	100.0
210.08444	1.8
223.04230	5.8
265.70673	0.7
304.70685	0.7
308.86081	0.6
329.32117	0.7
512.34467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37566	0.2
52.60248	0.2
53.03909	0.4
53.42225	0.2
55.05452	0.2
59.64490	0.2
61.02876	0.3
62.13993	0.2
62.29505	0.2
62.99621	0.3
69.07023	0.5
70.06536	0.7
71.04933	0.2
71.53339	0.4
72.08112	0.3
75.12963	0.2
78.04662	0.5
79.05486	2.4
81.03374	0.4
81.07045	1.1
81.13361	0.2
83.08556	0.2
84.08082	0.5
85.02856	0.4
86.09644	0.7
91.05397	0.6
93.07015	0.5
95.04977	1.5
95.08548	0.5
97.02848	0.4
98.98386	0.3
105.04469	0.3
105.06966	0.2
106.95258	0.2
107.04940	4.1
107.08531	0.4
109.02811	0.5
109.06476	0.4
109.10093	0.6
111.08037	0.2
118.97086	0.2
119.08510	0.4
121.10099	0.3
122.03572	0.3
123.04345	1.0
124.05135	1.0
125.05943	0.5
133.09967	0.2
140.04721	1.3
140.05562	0.3
146.20889	0.2
147.04327	0.4
150.58142	0.2
151.03841	0.6
152.04604	0.8
153.01761	0.7
155.07002	1.2
161.05788	0.2
167.07019	11.6
187.03847	0.2
207.06374	0.3
221.05963	0.6
221.15517	0.2
237.05373	0.9
237.59668	0.2
238.06189	0.4
249.05334	0.4
252.04108	0.7
253.04797	0.5
265.04956	2.0
266.05713	13.2
267.06543	1.6
274.17508	0.2
277.04794	0.6
278.05673	1.0
280.03574	0.7
281.04367	0.9
282.05151	0.5
283.05951	0.3
293.04358	0.9
294.05203	13.6
295.05948	6.7
295.09338	0.3
296.06503	0.5
297.03952	1.3
306.05161	2.0
309.04196	0.4
310.04605	1.0
311.05435	3.5
312.05838	0.3
321.03955	0.5
322.04691	14.2
323.05521	2.3
324.06293	0.5
325.03445	1.7
326.04202	0.7
327.04770	0.5
334.04736	1.7
337.03271	0.4
339.04968	20.0
340.05734	14.1
341.06613	0.5
351.04956	1.0
352.05649	1.4
355.08084	100.0
356.08582	1.4
367.08121	6.1
368.06931	0.3
371.04974	0.3
372.06213	0.3
385.07889	0.4
386.07950	0.3
397.06683	0.3
413.06299	0.5
414.07321	0.7
431.07327	0.4
443.07526	0.5
457.09482	0.4
459.07187	0.3
475.10324	0.3
506.12170	0.4
521.14368	5.2
539.15442	8.2
561.73877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01882	0.9
55.05502	4.8
57.03423	1.3
57.07073	2.9
59.27862	0.8
66.27909	0.8
67.05497	6.2
69.07067	7.0
70.15079	0.9
71.04976	1.7
71.08631	2.5
71.52771	0.8
72.14418	0.7
73.73177	0.8
79.05483	4.5
81.03380	0.8
81.07051	10.4
83.05001	0.8
83.08624	3.1
85.06544	2.0
91.05470	3.7
91.26971	0.9
92.91077	0.7
93.07043	5.7
95.08601	9.2
97.06541	2.0
97.10179	1.0
98.98457	1.1
99.08153	0.9
105.07053	5.1
107.08580	7.5
109.06516	13.1
109.10146	4.2
110.07288	0.9
111.08067	2.2
119.08585	4.9
121.10105	4.5
122.07323	1.5
123.08062	49.4
123.11688	2.2
125.09655	1.1
129.10342	0.8
131.08595	1.4
132.02287	0.8
133.10118	4.2
135.08049	2.5
135.11708	1.7
137.09615	3.3
137.13257	0.9
143.08595	1.2
145.10075	1.8
147.11671	2.7
149.09636	2.9
149.13269	1.1
151.11224	0.9
155.01013	1.6
157.10161	1.0
159.11702	2.4
161.13271	1.6
163.11203	1.2
165.12701	1.9
167.14340	1.4
171.11659	1.0
177.12709	1.2
179.14299	100.0
180.14716	1.7
188.92484	1.7
191.02791	1.0
193.15817	1.7
217.42993	0.8
226.93959	1.8
233.19125	1.1
240.36766	0.9
261.22415	0.9
275.20050	9.9
277.21643	2.2
293.21027	3.5
295.22610	1.6
298.98029	0.8
300.06021	1.0
300.97583	1.0
303.26721	2.1
311.25751	1.6
313.27417	1.7
331.26364	12.4
333.27942	7.3
349.27356	2.6
351.28912	2.4
353.23026	1.0
367.24695	7.7
405.29886	1.5
407.31610	1.3
423.31030	97.0
424.31552	7.3
425.32584	32.1
425.38455	1.0
426.32907	1.3
427.28372	1.2
445.29562	2.4
463.15857	1.3
537.34259	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	537.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	5.0
53.03933	3.9
55.01867	2.4
55.05272	2.1
55.05505	27.6
57.03420	2.1
57.06793	2.4
57.07071	45.1
59.04977	2.2
67.05499	26.9
67.50066	1.2
69.03413	1.5
69.07053	14.2
70.37807	4.4
71.04996	1.4
71.08239	2.0
71.08622	32.9
79.05474	14.1
81.03403	4.9
81.07044	41.8
83.04972	2.7
83.08608	25.4
85.06530	1.8
85.10175	17.8
91.05460	22.0
93.07031	19.0
95.04958	5.2
95.08594	34.5
97.02886	3.9
97.06519	3.4
97.10164	11.3
99.00803	15.5
99.92075	1.2
101.10583	1.2
103.05444	2.4
105.07011	17.0
107.04939	6.1
107.08584	6.8
109.02863	9.4
109.06492	2.7
109.10143	17.1
111.04428	1.7
111.08067	4.7
111.11716	2.8
112.44041	1.2
115.03895	2.2
117.06967	3.0
119.08558	10.1
121.06493	6.2
121.10146	3.3
123.11723	8.2
125.13274	1.3
127.03907	3.7
128.06201	2.5
131.08556	2.1
133.10120	33.8
135.08044	1.9
137.13248	2.6
139.07570	3.2
143.08534	4.3
151.11143	12.0
161.09595	21.5
163.11174	1.7
171.08046	2.4
179.10634	12.3
184.07347	2.4
186.30742	1.6
189.09085	12.0
197.11745	5.1
207.10181	7.3
221.22517	1.4
225.11206	20.0
239.23671	8.7
243.12357	2.6
253.42285	1.5
281.13885	4.1
312.40540	1.4
537.37805	100.0
538.38110	5.6
561.42981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
55.36887	1.0
57.03420	3.2
57.07059	4.2
67.05500	7.1
67.41926	0.9
69.07070	6.7
71.04986	1.6
71.08619	2.5
71.53008	1.3
79.05478	5.2
81.07048	11.3
81.11166	0.9
83.08614	4.6
85.06572	2.0
91.05461	3.6
93.07030	8.1
95.08600	11.2
97.06524	1.6
97.10184	1.3
98.20619	0.9
99.08076	2.1
105.07021	5.5
107.08587	8.9
108.89836	1.0
109.05806	1.4
109.06509	16.8
109.10172	5.5
111.08041	2.5
115.98309	1.1
119.08600	6.8
121.10122	7.6
122.07257	1.2
123.08057	62.0
123.11677	2.5
125.09641	1.3
131.08514	2.4
133.10115	4.1
135.08040	4.3
135.11670	3.7
137.09607	3.9
145.10081	2.6
147.11633	4.0
149.09579	2.8
149.13263	2.1
151.11159	1.2
157.10185	1.1
159.11710	3.0
161.13248	2.4
163.14798	1.2
165.12738	6.6
173.13268	2.7
175.14789	1.1
177.12732	2.1
179.14291	100.0
180.15056	6.4
187.14796	1.1
193.15884	3.6
233.18987	2.2
247.20494	1.3
261.22208	1.1
275.20041	12.6
275.73099	1.1
277.21570	2.8
293.21078	3.4
299.06201	1.1
300.06168	1.2
303.26749	2.4
331.26266	13.7
333.24435	1.3
333.27902	13.7
349.27386	2.5
351.28824	4.7
361.11200	1.0
367.24780	11.7
369.75171	1.0
405.30011	1.7
407.31396	1.4
423.31021	98.8
424.31702	14.7
425.32568	39.9
425.38446	1.5
426.32944	1.4
427.28299	1.0
429.36044	1.1
445.29410	3.6
519.32794	2.5
537.34290	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	537.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.3
55.05500	0.9
67.05534	0.9
69.03418	1.1
70.06559	1.2
70.58758	2.4
74.00659	1.8
76.03988	4.1
79.05497	1.4
80.05016	1.7
81.03416	2.1
84.04500	13.5
85.04029	3.8
85.07624	4.7
86.09698	4.4
91.05453	7.0
92.01685	1.3
93.07025	5.0
93.53961	1.0
94.06552	3.1
95.04960	2.3
96.01118	1.0
96.08093	0.9
99.02660	2.1
99.05566	3.0
100.11266	1.9
103.05463	3.2
106.06549	1.2
107.04939	19.2
110.05998	1.4
110.56689	0.8
112.02173	2.7
112.03983	1.1
113.03522	1.4
117.05683	1.2
118.06514	1.0
119.04929	5.5
120.08113	2.8
121.02875	1.6
121.06490	47.3
122.06017	1.7
123.04421	3.0
124.02162	4.2
124.07610	1.3
125.02976	1.5
126.03721	3.5
127.02141	2.2
129.06548	1.1
130.04977	7.8
131.04506	2.3
133.06406	1.2
134.05981	4.0
135.02612	1.2
135.06740	1.5
136.07574	1.6
137.05966	1.6
138.03726	2.7
139.02141	1.4
139.03221	1.1
140.05241	5.3
145.06213	2.9
146.05989	2.1
150.03702	3.9
152.05243	4.9
153.01868	1.4
158.06042	1.4
159.02185	1.0
159.06772	1.2
171.06700	1.2
172.07568	7.4
177.03261	11.6
178.03189	2.4
180.04749	3.3
181.06097	1.1
182.05960	2.0
184.07614	1.1
185.03770	5.9
185.08287	5.0
193.07828	1.0
196.07571	14.5
198.05479	1.7
198.09175	2.8
199.06233	17.7
200.06972	3.2
200.10675	8.4
203.04855	2.2
210.09142	9.4
211.09912	14.4
212.10690	13.8
213.07867	1.2
213.11394	1.7
214.12236	2.0
218.06352	4.3
228.10168	70.1
229.05522	1.3
229.10730	1.3
230.11794	5.0
231.04324	23.1
244.07892	100.0
245.08195	2.6
246.09441	12.7
262.08960	35.3
270.09460	10.4
287.12140	2.4
288.06406	1.8
288.10425	2.9
289.07162	1.5
298.08954	8.5
311.05838	1.0
315.11548	5.8
316.09961	12.6
333.12750	5.9
353.13138	1.6
373.12067	4.9
390.14743	16.8
408.15778	3.5
426.14774	1.6
435.33322	1.4
444.15826	4.6
453.34250	5.7
462.16705	1.3
519.18964	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	535.1808
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
55.01869	2.9
56.88355	0.4
57.03389	0.6
63.17800	0.5
67.05461	0.8
68.99781	1.8
69.03414	1.2
69.07061	0.9
70.06558	1.1
70.45940	0.9
70.46313	0.8
79.01837	0.5
79.05455	0.7
81.03410	1.8
81.07047	0.7
84.08107	1.3
85.02880	1.5
86.09708	0.7
91.05453	0.8
92.99757	0.4
93.03365	0.9
93.07022	0.7
95.04985	0.5
97.02859	1.5
107.04943	0.8
107.08597	0.7
109.02867	1.5
111.04426	1.4
114.43903	0.5
123.00767	0.8
123.04417	10.7
127.03900	1.1
135.04404	0.9
137.02338	2.3
137.05983	0.7
139.03886	37.2
141.01805	7.5
141.06972	0.5
143.04909	0.4
147.04399	1.3
149.02286	1.2
151.03905	2.8
153.01823	0.6
153.05420	0.7
161.02272	0.5
161.05949	3.6
163.03932	1.0
165.01820	64.1
165.87944	0.5
175.03876	1.5
177.05424	0.8
179.03377	10.7
179.04929	0.6
183.02876	54.8
184.03197	0.6
187.07564	0.6
189.05457	0.8
195.02866	9.6
197.05988	0.8
201.05435	0.6
215.07083	1.3
221.08110	1.5
225.05415	0.9
229.04967	3.3
243.06448	2.4
245.04431	2.2
247.06036	2.3
253.04919	1.2
255.06487	0.6
257.04483	1.6
257.09378	0.5
261.07474	0.6
271.06003	9.2
281.04483	0.6
287.05420	2.8
289.06888	1.2
299.05487	12.5
317.06528	100.0
318.06879	1.2
329.06570	0.5
342.53137	0.4
348.71439	0.4
355.11475	1.2
373.12784	29.8
374.12985	0.6
383.08084	0.5
397.12094	0.6
408.77469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
61.02926	2.6
76.51707	1.6
85.02905	3.7
91.05489	2.5
97.02907	3.0
103.03922	1.6
106.86768	1.5
107.04953	2.3
109.02872	1.5
119.04917	2.9
121.02858	20.0
135.04411	3.2
137.02335	14.1
145.02821	3.2
147.04408	2.5
149.05960	1.7
161.02344	2.9
165.01808	8.3
175.03940	2.1
177.01759	1.9
183.02875	2.7
189.01793	3.6
189.05359	1.8
191.03320	3.8
195.02884	4.4
196.89604	1.6
199.04012	2.2
201.05478	2.1
203.03366	9.0
207.02888	4.4
213.91621	1.7
215.03366	5.1
217.04918	4.3
219.02853	1.9
221.04318	2.6
229.04840	3.8
233.04417	5.2
243.02876	2.6
243.06430	2.5
245.04503	2.5
259.05807	2.5
271.05994	4.9
272.06827	7.3
283.05933	4.2
284.06686	2.3
287.05460	6.4
293.08188	2.6
294.05225	6.3
295.05969	29.8
296.06674	3.2
297.07480	2.2
299.05475	52.1
300.06165	28.0
305.08063	2.3
307.05969	21.9
308.06619	8.3
309.07361	7.5
311.05466	28.8
313.07065	16.1
319.06192	2.2
320.06738	4.2
321.07471	23.0
322.08316	3.7
323.05545	2.4
323.08960	2.7
324.06500	2.4
325.06989	23.5
327.04980	3.0
329.06497	100.0
330.06934	2.6
333.07446	13.1
335.09052	10.7
337.07025	19.0
339.08566	7.7
341.06604	4.2
345.07520	7.2
347.09088	3.9
349.07010	30.5
349.10910	2.5
351.08575	11.1
353.06473	17.5
355.08261	2.4
359.08051	5.1
361.06995	13.7
363.08655	11.4
367.08087	6.4
371.08615	2.1
373.07263	8.5
375.08469	7.6
377.06393	5.5
379.08057	34.8
387.08701	5.3
389.09821	2.2
391.08084	30.1
395.07626	9.1
397.09131	21.3
398.09796	1.7
399.08365	4.1
403.07870	8.0
405.09628	6.5
409.09131	27.7
413.08737	5.6
415.08939	6.0
417.09534	4.4
421.09109	2.1
427.10229	17.1
430.66766	1.9
431.09537	2.9
433.09183	16.1
445.09357	8.2
449.10620	2.3
451.10162	21.0
455.09830	9.9
463.10416	13.8
469.11258	40.5
473.10843	8.4
481.11340	53.5
491.11627	4.3
499.12671	42.4
517.10858	11.3
517.12402	11.9
535.10541	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1807
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
50.78066	1.2
51.02381	1.3
53.03936	2.1
55.01876	8.1
55.05485	1.3
57.03426	2.6
59.09468	1.5
65.03934	3.8
67.05496	4.3
68.99800	1.8
69.07056	2.8
70.11486	4.6
70.44888	1.2
79.05484	4.6
81.03397	8.0
83.01334	4.3
83.04968	3.0
85.02901	15.6
91.05494	2.3
93.03384	15.7
95.01315	2.1
95.04954	5.2
97.02871	11.7
103.05457	3.6
105.03388	4.4
105.07034	2.7
107.04944	28.7
109.02876	14.4
109.06508	1.5
111.00782	2.7
111.04436	13.6
115.05482	2.3
119.04897	6.7
119.08567	1.6
121.02848	10.1
121.06492	6.8
123.04418	100.0
125.02405	1.2
127.03934	1.8
131.04921	5.8
133.02887	3.2
133.06511	1.7
135.04401	35.1
136.96941	1.2
137.02347	8.5
137.05966	1.7
139.03893	30.2
141.01790	3.4
145.02824	1.6
145.06491	1.7
145.10054	1.2
147.04369	10.1
147.72095	1.3
149.02304	2.7
149.05984	6.7
151.03902	21.2
153.01849	2.3
153.05476	3.6
153.84749	1.7
159.04428	5.3
161.02332	4.8
161.05937	8.6
163.03900	9.5
165.01830	24.8
165.03125	2.5
165.05475	2.8
167.03456	1.7
169.01212	1.1
173.02379	1.4
173.06001	2.8
175.03856	8.1
177.01846	17.0
177.05455	18.5
179.03398	7.5
181.04944	21.5
183.02898	13.5
185.05939	2.4
187.03862	2.5
189.01826	4.0
189.05461	5.0
189.07098	1.1
191.03404	8.1
193.04990	2.9
195.02870	56.1
195.04657	2.8
201.01836	2.3
201.05435	4.6
203.03374	19.3
205.04942	20.6
207.00903	2.7
207.02866	54.4
211.07625	1.9
213.05380	1.7
215.03450	6.3
215.07245	1.5
217.04938	6.8
219.02965	8.1
221.04446	13.8
221.08075	1.9
223.02318	2.9
225.03888	32.7
227.03392	4.3
229.04984	9.0
231.02864	47.5
233.04434	4.2
233.08060	19.5
235.05948	2.8
237.03824	8.6
239.03255	1.8
239.07025	2.0
241.04948	2.9
243.02847	8.4
245.04453	7.0
247.06006	14.2
249.03853	25.5
251.09215	2.6
255.02914	3.2
255.06606	2.2
257.04413	4.9
261.03897	15.6
263.09122	16.1
265.07144	3.4
267.06424	3.1
269.04437	2.1
271.06030	2.9
273.03912	24.2
281.07974	2.0
283.05954	15.9
285.07498	2.0
287.05960	2.3
287.09128	17.9
291.04865	13.9
293.04340	2.2
295.06003	7.0
299.05777	3.3
301.07315	1.8
303.05148	2.0
309.06238	4.3
311.05484	50.9
313.06979	3.4
317.06479	14.5
317.10226	16.9
319.06009	1.5
323.05505	5.8
327.07242	1.7
327.11960	1.6
329.06549	22.3
329.10226	3.9
331.07895	1.5
337.06985	3.8
341.06470	7.9
347.11227	10.9
351.08685	1.8
359.07574	52.7
365.06680	6.6
365.12280	33.7
373.13022	1.7
377.06430	1.5
383.07596	75.1
383.12619	3.2
384.08276	1.9
389.06686	1.5
395.07526	15.4
407.07449	7.0
413.08633	54.9
414.09259	1.6
415.13959	8.8
425.08633	36.9
443.09686	35.1
461.10754	53.7
479.11804	41.7
517.16833	2.0
535.18512	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	535.1076
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03925	0.2
55.01848	0.4
57.03407	0.4
61.02886	0.3
67.01837	0.5
67.05476	0.1
68.99764	0.7
69.03413	1.3
70.06573	0.4
71.52734	0.2
73.18095	0.2
79.05478	0.2
81.03415	1.1
84.08123	0.2
85.02889	1.7
86.09667	0.2
87.00795	0.2
87.17788	0.2
90.51017	0.2
91.05447	0.2
93.06994	0.2
95.04942	0.2
97.02869	1.0
99.04417	0.5
107.04935	0.4
109.02837	1.1
109.06497	0.2
117.03281	0.3
121.02849	0.2
121.06513	0.2
123.04418	1.1
125.02378	0.2
127.03895	1.6
135.04385	2.1
137.02287	0.6
139.03917	1.0
145.04924	0.4
147.04417	0.3
151.03889	0.3
153.00581	0.3
153.01801	5.5
159.02823	0.2
161.02301	0.6
161.05945	0.3
163.03882	0.2
165.01834	1.0
171.02840	0.8
177.05368	0.2
179.03369	0.8
181.04962	0.5
183.02878	1.2
187.05943	0.4
191.03340	0.2
194.32153	0.2
194.37970	0.2
195.02827	0.6
201.05466	0.4
203.03375	0.5
205.05063	0.2
207.02812	0.5
225.03889	0.3
229.04956	0.3
231.02864	0.4
241.04971	0.7
245.16422	0.2
249.03830	0.2
258.05170	0.4
259.06012	0.2
269.04462	0.4
271.05917	0.2
273.03967	0.3
286.04666	0.6
287.05450	100.0
288.05685	1.2
291.04971	0.2
299.05447	0.3
301.07181	0.2
311.05463	0.6
315.05035	0.2
317.06631	1.4
327.08484	0.4
329.06458	0.6
359.07480	0.6
373.12888	0.4
383.07370	0.7
413.08554	0.4
425.08252	0.3
443.09711	0.4
444.78799	0.2
449.10730	12.8
461.10800	0.4
479.11859	0.4
491.11765	3.3
512.76782	0.2
517.09723	2.9
535.10706	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48941	2.6
55.01862	10.8
60.04524	2.6
61.02921	3.0
69.65380	21.0
70.06580	23.1
72.08145	9.4
72.68990	2.3
77.28503	2.6
84.04507	3.6
84.08134	9.0
85.02908	4.6
86.09702	10.5
89.68288	2.7
91.05459	6.4
97.02879	5.6
105.06963	4.4
107.04948	6.5
109.02882	6.2
111.04393	4.0
117.03413	3.2
119.04935	12.0
120.08094	4.6
121.02869	59.1
123.04425	2.9
127.03923	6.5
129.10205	3.5
131.04930	3.5
135.04401	7.9
137.02310	4.9
137.05966	3.7
139.03825	4.7
145.02859	10.8
145.06435	4.1
147.04393	6.6
149.05974	3.2
151.03914	3.8
161.05898	3.0
163.03862	16.3
165.01891	4.6
173.06075	3.7
177.05460	13.2
179.03329	5.4
181.04880	3.0
187.03973	5.9
189.01826	6.5
190.02600	2.7
191.03426	7.9
195.02870	8.3
201.05469	6.5
203.03386	14.5
205.04950	5.6
207.02907	10.6
215.03340	9.5
217.04990	10.1
217.08409	3.3
219.02797	2.5
221.04474	8.8
229.05026	6.9
231.02760	3.8
231.06534	4.1
233.04425	3.4
241.04893	3.3
243.02924	6.7
244.87309	2.7
245.04366	4.7
247.06068	7.2
261.03925	5.7
268.07150	3.0
269.04431	2.9
271.05902	6.3
279.06497	3.8
283.06067	6.3
285.03934	4.2
287.05640	15.5
293.08105	4.9
294.05170	14.7
295.06000	55.5
296.06873	3.5
297.07581	7.3
299.05643	3.5
305.08102	3.5
306.08710	3.0
307.06042	34.4
308.06689	14.4
309.07666	15.7
311.05554	4.1
313.07153	3.1
317.08109	4.1
319.05978	4.9
320.06766	7.9
321.07529	44.0
322.08328	7.5
323.09100	7.3
325.06992	40.0
325.10495	3.5
327.05048	3.0
329.06982	4.5
333.07568	28.6
334.07935	3.4
335.08914	15.4
337.07007	30.1
339.08530	4.9
345.07632	15.4
346.08148	4.3
347.09174	6.4
349.07050	43.3
351.08633	20.2
359.08911	3.3
361.07098	21.0
363.08670	22.6
367.08109	14.6
371.09314	3.5
373.07141	10.5
375.08539	17.6
377.10205	4.5
379.08099	56.1
387.08453	9.0
389.10175	3.9
391.08139	50.0
393.09351	3.7
395.07623	5.0
397.09155	40.9
399.08710	6.9
403.08093	11.8
405.09692	9.4
409.09177	55.0
415.08636	12.5
417.09546	7.5
421.09137	7.3
427.10281	29.5
433.09171	27.2
445.09351	23.9
451.10297	41.3
463.10229	28.0
463.16357	4.4
469.11304	62.6
481.11285	100.0
499.12372	68.1
500.12387	3.8
517.13483	22.1
523.55115	3.1
535.14380	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	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05013	1.2
57.03404	0.4
58.06597	1.2
59.07362	0.4
60.08156	17.9
63.51017	0.4
67.05490	1.8
67.56786	0.4
69.07059	0.4
70.06577	0.4
71.07363	6.5
71.08615	1.1
71.13543	1.0
79.05482	1.6
81.07047	1.9
83.08627	0.4
86.09695	53.4
91.05460	1.1
93.07042	1.5
95.04972	0.4
95.08615	1.3
98.98447	3.9
104.10728	98.1
105.07008	0.4
107.08553	0.5
119.04912	0.6
119.08565	0.7
124.99987	27.0
143.01004	0.5
147.04422	0.9
148.04773	0.5
149.02299	0.6
153.34860	0.3
179.14363	0.4
184.07317	100.0
187.20923	0.4
212.14954	0.4
258.11008	1.3
516.30737	7.3
534.31830	27.5
535.32483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.2
57.03411	7.5
57.07055	11.1
60.08137	4.8
61.02907	7.3
62.93460	3.0
66.40813	2.9
67.05496	78.5
69.07066	31.7
70.78132	7.7
71.04963	3.0
71.07379	2.7
71.08619	4.2
71.20979	2.4
79.05489	26.0
81.07048	100.0
83.08608	20.6
85.02892	7.5
85.06496	4.1
86.09707	17.2
89.88431	2.6
89.94040	2.5
91.05476	18.6
93.07036	30.2
95.08595	80.5
97.02890	3.9
97.06502	8.2
97.10164	13.1
99.08063	3.9
104.10722	26.8
105.07018	14.7
107.08569	22.4
109.10143	45.2
111.11749	3.6
119.08563	14.1
121.10136	23.3
123.11684	22.4
125.00021	5.2
133.10086	18.3
135.11684	15.3
137.09593	2.8
137.13197	7.8
140.54460	2.8
147.11667	9.4
149.13231	10.8
151.14798	7.1
155.14264	4.6
161.13235	16.0
163.14792	13.6
165.16406	8.9
175.14796	8.8
179.17918	6.4
184.07310	19.3
189.16440	2.9
245.22627	55.1
247.87233	3.1
263.23688	81.7
337.27332	58.3
355.28299	4.7
401.21002	2.7
434.37430	3.1
475.22238	3.9
534.35474	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	533.3829
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
55.01862	9.2
55.05505	41.4
57.03419	9.1
57.07059	6.6
58.91632	4.0
58.97899	3.5
67.05136	5.1
67.05495	91.9
69.07070	26.4
71.04980	4.5
71.53098	7.1
79.05481	59.2
81.06593	5.9
81.07047	91.0
83.04964	14.5
83.08610	22.9
85.06502	8.6
87.04436	6.8
91.05465	37.4
93.07027	83.3
94.70984	4.1
95.04967	9.3
95.08593	58.5
97.06492	6.4
97.10176	28.1
105.07015	40.1
107.08569	55.6
109.06565	4.2
109.10139	28.3
111.08035	6.0
117.06995	12.8
119.08566	44.2
121.10118	33.9
123.08039	4.6
123.11697	11.0
125.09572	27.4
129.06985	9.0
131.08527	24.9
133.10114	28.3
135.11681	35.2
143.08533	6.6
145.10118	29.6
147.11667	18.1
149.13245	8.7
157.10098	11.7
159.11691	24.6
161.13251	7.5
163.11145	8.9
163.14815	6.8
169.10152	4.5
171.11703	11.0
173.11890	4.0
173.13249	17.7
175.14760	7.8
181.12198	7.2
185.13243	8.9
187.14832	4.1
189.11188	20.1
197.13148	4.7
199.14755	7.7
201.16321	5.3
227.12776	37.4
255.15852	10.5
256.89548	4.0
261.22021	13.6
265.01672	4.2
273.22110	9.3
289.25055	7.2
291.23129	4.3
335.25641	15.4
423.32642	22.4
441.33487	16.2
459.34448	11.0
497.35919	6.7
515.37250	100.0
533.31219	4.6
533.38379	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1078
Annotation	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide
Peak:m/z	Relative Intensity
53.03926	0.7
55.01846	2.2
61.02902	0.9
61.93226	0.9
68.99776	1.1
69.69939	2.5
69.70348	1.7
70.06561	1.1
77.67437	0.7
78.54504	0.7
79.01838	2.0
81.03378	1.3
85.02889	4.5
87.00780	0.8
94.54920	0.7
98.20612	0.7
103.03915	1.7
106.09328	0.8
109.02821	1.5
119.04902	1.8
120.75890	0.6
121.02868	4.6
121.13396	0.9
121.50969	0.7
123.04340	0.8
129.01852	1.3
135.04405	4.4
137.02338	13.6
137.03352	0.9
141.01729	1.2
150.96442	0.8
153.01822	1.0
161.02286	1.6
163.03928	1.3
165.01816	8.3
167.03416	1.7
169.35687	0.7
171.02841	1.7
174.51784	0.9
175.03845	0.8
177.01790	1.5
179.03342	2.4
183.02844	4.5
187.03905	1.2
189.01758	1.7
189.05429	0.9
193.01233	0.8
195.02859	2.1
202.02560	0.8
203.03355	2.5
205.04834	1.0
207.02869	1.2
215.03293	1.6
217.04886	1.5
219.02782	1.0
227.06926	1.7
229.04890	3.3
233.04456	0.9
243.02890	1.7
243.06447	1.6
244.07353	1.4
254.05957	1.0
257.04349	0.8
258.05258	1.0
259.06027	2.2
271.05994	5.9
272.06760	9.6
279.06476	0.9
283.05930	2.5
286.04663	1.3
287.05487	7.1
294.05173	1.0
295.05991	7.1
297.07343	1.1
299.05475	55.6
300.06238	28.5
301.07010	2.2
307.05997	3.9
308.06796	1.1
309.07471	1.2
311.05481	35.1
313.03549	1.5
313.07016	14.9
321.07681	3.6
323.05579	2.3
324.06134	2.1
325.06985	8.0
327.04956	2.6
329.06506	100.0
330.07120	1.3
333.07501	2.3
337.06921	3.3
339.04828	1.6
339.08630	6.4
341.06537	5.7
343.08289	1.6
345.07462	1.4
347.09113	1.0
349.07016	6.9
351.08578	1.8
353.06491	18.5
359.07376	3.9
361.06985	2.8
363.08560	1.9
367.08008	3.2
371.07776	1.0
373.07217	1.4
375.08539	1.6
377.06424	3.7
379.08124	5.6
383.07315	1.3
387.08255	1.0
391.08020	3.3
395.07623	8.7
397.09164	3.1
403.08517	1.0
405.09839	1.0
409.09256	5.1
413.08658	5.3
417.09833	1.4
427.10107	3.0
431.09622	2.2
433.09027	2.4
445.09723	1.3
449.10507	2.4
451.10284	3.7
455.09680	10.4
463.10229	2.4
469.11044	5.5
473.10834	7.6
478.15350	0.8
481.11459	8.1
491.11813	3.1
499.08267	3.8
499.12158	4.8
516.75964	0.9
517.09430	14.1
535.10687	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	533.3832
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
52.41692	4.4
53.03934	4.7
53.24125	4.1
55.01838	5.2
55.05505	39.7
57.03411	8.6
60.89470	5.1
67.05492	79.3
67.53792	5.1
69.07049	16.3
71.08640	5.6
71.53040	4.0
71.53513	4.5
79.05492	49.7
81.07047	74.1
83.04964	10.1
83.08601	21.1
91.05469	36.5
93.07021	53.3
95.04944	8.7
95.08598	54.2
97.06521	8.5
97.10160	28.4
101.24197	4.5
105.07017	45.6
106.43637	4.2
107.08574	45.6
109.10139	26.3
117.06998	12.1
119.08568	35.6
121.10107	21.7
123.11676	14.8
123.59550	5.1
125.09607	13.2
129.06956	8.2
131.08536	22.0
133.10117	28.5
135.11678	37.3
145.10086	17.0
147.11668	22.5
149.13184	11.1
153.12714	5.1
157.10097	9.9
159.11644	19.7
161.13194	14.0
163.11143	5.9
169.10074	6.7
171.11627	9.6
173.13193	10.5
175.14818	10.8
187.14734	8.6
189.11194	9.3
227.12712	18.3
236.75803	5.0
255.05586	5.0
255.15865	15.6
261.22061	14.0
291.34164	5.4
335.25659	12.7
374.94217	5.2
405.31491	7.1
423.32391	17.6
441.33536	21.7
458.26477	5.7
459.34589	15.5
497.36017	9.7
515.30438	7.6
515.37317	100.0
533.38983	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01860	4.0
55.05499	1.6
57.03429	6.8
59.04985	0.8
60.02107	0.8
61.02918	10.5
67.05493	3.6
68.99751	0.8
69.03419	28.7
69.07057	7.6
69.71270	1.0
69.71681	3.1
70.06554	0.9
71.04994	3.9
73.02911	4.3
79.05484	3.8
81.03407	13.6
81.07044	4.4
83.01326	1.2
83.04975	0.7
83.08611	1.7
85.02894	100.0
86.09701	1.0
87.04448	5.2
91.03940	4.8
91.05457	4.1
93.07039	4.0
95.04955	6.4
95.08601	5.3
97.02878	33.8
97.06536	3.5
99.04449	5.9
103.03872	1.0
105.06419	0.7
105.07000	4.3
107.04949	1.4
107.08575	6.1
109.02859	11.8
109.06489	5.5
109.10152	2.0
111.04430	1.1
115.03922	1.6
117.06989	1.0
119.04935	1.8
119.08564	4.0
121.06493	3.6
121.10132	3.0
122.07260	3.4
123.04415	3.0
123.08051	19.3
123.11663	0.9
124.04758	0.8
125.09637	0.9
127.03899	28.9
131.08566	1.9
133.10146	5.9
135.04391	1.3
135.08032	27.5
135.11656	5.0
137.02327	3.6
137.05981	0.8
137.09601	1.7
139.03906	1.2
145.04942	37.1
145.10144	1.7
147.04387	2.9
147.11682	3.5
148.08766	0.7
149.09528	1.6
149.13228	1.0
161.09564	1.4
163.03893	4.4
163.06000	6.5
163.14848	1.2
165.01837	1.1
165.12729	24.6
167.06993	0.9
171.06543	1.8
173.13246	1.4
175.14793	3.6
176.11888	4.3
177.05498	2.5
177.12686	1.3
179.03328	0.7
181.04971	0.6
184.07321	1.0
189.01816	1.6
189.07561	2.7
191.14279	93.9
192.14630	0.9
193.15848	12.1
195.02731	0.8
207.02914	1.2
207.13844	2.8
209.15329	14.9
231.13882	0.7
287.05569	1.2
299.05493	2.2
299.08701	1.0
309.16995	0.9
311.05499	4.1
313.06909	1.3
315.04947	21.3
315.08655	1.0
323.05508	6.1
324.06036	1.6
325.07074	1.5
337.06995	1.1
341.06485	1.9
351.08368	0.9
353.06281	1.5
353.10126	2.3
353.19659	3.9
365.06271	0.9
365.10358	1.6
371.11185	7.4
371.15433	0.8
371.16260	1.1
371.20584	9.1
372.11530	0.7
377.10263	1.4
383.11243	1.4
395.11356	5.8
413.12213	5.9
437.12308	1.9
449.12100	1.2
461.12311	1.0
479.13254	0.9
497.14340	2.1
515.15454	6.7
533.16626	3.6
533.25769	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
62.36131	0.4
65.03939	2.5
65.04225	0.5
67.05494	0.8
70.06594	0.5
70.70784	0.9
70.71140	0.8
79.05494	2.1
80.30861	0.4
81.03416	0.6
81.07017	0.5
81.66361	0.4
84.08125	0.5
91.05475	20.6
92.05783	0.5
93.07067	0.4
95.04962	0.9
97.54615	0.4
105.07037	0.9
107.04952	2.4
108.43831	0.4
109.10194	0.4
110.03655	0.4
115.05399	0.6
117.07018	0.4
119.04935	36.9
120.05238	0.4
123.04437	0.6
129.07007	0.8
137.02284	0.5
137.05899	0.4
138.03152	1.4
141.06999	1.5
145.06448	0.7
145.98590	0.4
147.04398	100.0
148.04749	1.0
152.04684	0.8
153.05447	9.8
156.05672	0.5
157.06482	1.2
158.07317	0.8
167.07066	1.9
169.06496	0.6
170.07314	0.8
174.06783	1.3
178.07655	0.6
186.06729	1.8
187.07553	1.2
188.08229	0.6
191.08624	0.4
200.08235	0.8
201.09045	2.9
202.07973	0.4
203.06943	0.6
203.08662	1.0
205.06480	0.7
206.07329	0.5
214.06331	0.4
215.07016	1.4
217.08589	1.3
218.09357	0.6
219.08061	1.2
220.08791	0.7
221.09631	1.0
225.15440	0.4
229.08629	4.5
231.08096	2.1
231.10129	0.7
232.08646	0.5
233.06030	0.6
234.06735	0.9
235.07491	0.5
237.09163	0.8
245.09535	0.6
247.07510	1.4
248.08313	2.1
249.09077	2.6
251.06967	1.3
259.07419	0.8
262.06226	0.6
263.07098	1.2
263.10699	1.3
265.08627	1.5
266.09363	0.8
275.06888	0.7
276.07852	2.9
277.08551	4.3
278.05746	0.7
279.06491	2.2
279.09473	0.4
291.10178	1.5
292.07385	0.5
293.05130	0.6
293.08008	2.8
294.08728	2.4
301.06943	0.6
304.07465	0.5
305.07916	1.9
306.08881	0.9
307.06113	1.0
307.09396	0.8
308.06824	0.7
308.10397	1.3
309.11102	2.9
319.09671	1.0
321.07623	1.0
322.08224	2.3
323.09088	1.7
323.12756	0.5
324.06329	0.5
325.10675	0.5
336.09836	1.2
337.10660	8.8
338.11374	1.0
339.08649	2.3
341.13681	1.4
351.12350	2.5
354.10849	3.3
369.13315	38.1
370.13565	1.1
376.95999	0.5
387.14255	0.9
533.31305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53250	0.4
53.03930	0.4
55.01862	0.6
57.03425	0.5
61.02917	0.5
64.39545	0.5
65.03935	0.7
67.05493	1.0
68.99778	0.5
69.03407	1.5
69.07039	0.5
70.06574	1.5
70.71518	0.7
70.71909	0.7
79.05426	0.5
81.03396	1.4
81.07020	0.8
84.04465	0.4
84.08115	0.5
85.02889	2.9
86.09657	0.5
87.59466	0.4
91.05489	0.6
97.02884	1.4
105.07030	1.0
107.04955	1.2
109.02851	1.7
113.02341	0.5
116.75063	0.4
117.06969	0.8
119.04910	0.5
120.08090	0.4
121.02833	0.6
121.06503	0.5
123.04414	2.0
127.03895	1.1
134.17924	0.4
135.04385	1.9
135.08006	0.5
137.02321	11.3
137.03294	0.5
137.05968	0.8
139.03894	0.4
141.01851	0.6
147.04361	1.1
149.06000	0.9
152.60097	0.4
153.05406	0.5
159.04471	0.7
161.02325	2.0
161.06006	0.6
163.03893	1.5
165.01857	3.2
167.03415	0.9
167.07027	0.5
169.06456	0.4
171.04382	0.6
173.05905	0.5
177.01826	1.7
177.05458	1.8
179.03380	1.6
183.02850	2.1
185.05896	0.6
189.05386	0.6
191.03351	0.8
191.14282	1.0
195.02870	1.6
197.05905	0.4
201.05426	1.7
203.03374	1.1
213.05540	0.6
217.04950	0.9
219.06461	0.9
221.04477	0.8
231.02896	0.6
231.06416	0.5
232.06949	0.4
235.05898	0.5
237.05597	0.4
243.06523	0.4
243.18764	0.4
245.04520	0.8
253.04996	0.6
257.04492	0.6
271.06088	0.6
280.07623	0.4
283.06137	3.6
285.03931	0.5
285.07462	1.0
287.05524	2.7
293.08038	0.5
295.06003	1.4
297.04187	0.4
297.07565	1.0
299.05460	19.3
300.06177	1.6
311.05511	8.9
311.09048	1.4
313.06967	0.6
314.04263	1.1
315.04922	2.0
323.05463	4.3
324.06226	4.7
325.07010	2.5
325.10712	1.4
327.04953	25.2
328.05811	2.0
329.06476	1.9
335.09128	5.3
337.06918	4.0
338.07684	5.4
339.04724	1.0
341.06543	1.9
347.08954	0.8
351.08630	1.5
353.06668	4.7
353.10153	100.0
354.06680	0.6
354.10376	2.5
357.06012	14.3
357.10522	0.7
365.06180	0.8
365.10184	3.3
366.42188	0.4
367.08060	3.4
370.15631	0.4
371.11200	5.1
381.06006	6.6
383.11057	1.0
393.05746	1.0
395.11325	7.4
405.69824	0.5
411.07095	3.2
413.12250	4.3
419.11191	0.9
423.07233	3.9
437.12329	1.2
441.07986	4.8
449.12186	0.9
459.09186	8.8
461.11951	0.8
467.13168	0.5
470.75082	0.5
477.09976	1.4
479.13251	2.1
497.14410	4.4
515.15381	7.8
533.16327	3.0
533.24640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
56.05030	0.9
57.03419	0.9
61.02921	0.9
65.55475	0.9
67.05483	2.1
69.03414	3.1
69.07056	1.5
70.06585	6.2
70.71986	2.9
79.05484	1.8
81.03394	4.1
81.07028	3.1
82.97988	1.1
84.04468	1.0
84.08143	2.5
85.02901	5.0
91.05473	2.6
93.07034	1.5
95.04966	1.6
97.02892	3.2
97.66313	0.9
99.04420	1.0
103.05463	1.3
105.07011	1.3
107.04920	2.4
109.02872	4.7
117.70509	0.9
119.04939	2.0
121.02823	1.4
121.06482	1.9
123.04399	4.9
123.08008	1.2
125.06002	1.1
127.03922	2.1
129.10217	1.6
131.04909	1.3
131.08469	1.0
133.06425	1.2
133.10133	1.3
135.04382	3.1
137.02332	35.9
137.03302	1.2
137.05943	1.4
145.02879	1.3
145.04945	1.2
145.10051	1.0
147.04372	4.2
149.05939	2.0
151.03867	1.9
153.01761	1.3
161.05937	2.3
163.03886	8.0
163.12325	1.1
175.03853	1.8
177.01741	1.1
177.05438	4.3
179.03462	1.1
181.06505	1.4
189.01782	1.3
189.05434	2.4
191.14221	3.3
193.04970	1.2
195.02902	7.0
197.05943	1.7
199.03871	1.7
201.05470	1.4
203.03406	3.5
207.02888	1.6
207.06337	1.1
213.05476	1.8
217.04906	3.9
219.06392	1.2
221.04405	1.6
223.07544	1.1
225.05481	2.0
227.03339	1.1
227.07043	1.5
232.07005	10.9
233.07881	2.1
237.05579	1.2
243.06693	1.5
245.04375	1.0
251.07112	1.5
253.04936	2.6
254.05789	1.4
255.06497	2.8
257.04352	2.0
258.34293	0.9
271.05908	1.4
283.06006	2.7
285.03925	1.9
285.07281	1.7
286.04730	2.0
287.05676	2.0
287.08994	1.6
292.61191	1.0
295.05963	1.4
299.05478	7.8
300.06259	3.2
301.06912	1.6
311.05453	3.2
312.30923	1.2
313.06793	1.1
314.04019	2.4
315.04999	10.2
323.05475	1.3
325.06815	2.3
327.04950	100.0
328.05609	7.1
329.06567	8.4
339.05032	6.0
339.08673	1.0
341.06473	3.5
349.07111	1.6
352.05716	1.2
353.06430	16.5
353.10236	11.0
357.06006	54.7
365.12213	1.1
367.04559	0.9
367.08188	9.4
371.11179	9.0
381.06006	28.6
383.11282	6.0
393.05835	5.5
395.07083	1.8
395.11551	2.3
405.05756	2.1
411.07053	10.3
413.12396	10.7
423.07083	15.1
437.12228	4.4
441.08112	16.7
449.12030	1.3
459.09204	34.2
461.11920	1.5
467.13474	1.5
477.10071	4.4
479.13535	1.6
497.14752	4.9
515.15277	4.3
533.15973	13.7
533.24316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.5
61.02912	0.6
65.03917	0.7
67.05476	1.4
68.99786	1.0
69.03410	1.9
69.07050	0.5
69.45857	0.4
70.06572	1.5
70.87923	0.5
70.88281	1.4
73.02914	0.8
79.05479	0.8
81.03401	1.8
81.07041	0.8
84.08135	0.6
85.02895	3.7
91.05464	1.1
93.06999	0.5
95.04963	1.0
95.08600	0.7
97.02883	1.6
105.07022	1.4
107.04948	1.4
107.08585	0.8
109.02861	1.5
119.04909	1.0
119.12199	0.5
121.02819	0.6
123.04411	0.9
127.03883	1.5
128.06210	0.5
129.06958	1.1
129.10182	0.6
129.92905	0.4
131.04836	0.6
133.10089	1.6
135.04398	3.4
135.08046	1.2
137.02318	9.6
137.03348	0.6
137.09596	0.5
141.01831	0.4
145.02829	1.1
145.04915	0.7
145.06499	1.1
147.04401	1.7
149.05936	0.6
151.03864	0.9
157.06512	0.7
159.04408	1.3
161.02327	3.1
163.03905	4.7
165.01828	3.5
167.03392	0.9
169.06453	0.6
175.03915	0.6
177.01779	1.0
177.05461	1.9
179.03387	1.1
183.02893	1.9
183.07919	0.5
185.06032	0.9
187.07523	0.8
189.01813	1.4
189.05446	0.7
191.03305	1.1
191.07101	0.6
191.14288	1.8
191.36932	0.5
195.02831	1.2
201.05490	0.7
203.03322	2.4
203.06990	1.0
204.04192	0.8
205.04906	0.6
207.02852	1.1
213.05476	3.4
217.04991	1.8
219.06494	1.1
221.04352	1.0
227.06953	0.6
229.04945	0.7
231.06490	3.5
233.07922	0.7
239.06958	0.5
243.06519	0.9
245.04546	0.8
249.07536	0.8
255.06248	0.4
257.08066	0.7
261.07471	1.1
271.06183	0.8
271.09674	1.7
281.08261	0.5
283.05969	3.3
284.06714	0.7
285.07574	5.9
287.05432	1.2
292.07440	0.6
295.06003	1.9
297.07620	2.4
299.05466	20.1
300.05646	0.6
307.05981	0.6
307.09604	0.8
309.07397	2.6
310.04718	1.8
311.05521	14.0
311.09088	1.9
312.06131	1.4
313.07056	1.5
319.09625	3.4
321.07620	1.0
323.05472	8.8
323.08987	1.0
324.06265	4.4
325.06979	4.2
325.10562	1.0
327.08679	1.6
334.08270	1.2
335.05295	0.7
335.09067	5.8
337.07001	15.9
337.10446	0.8
338.07791	6.7
341.06552	5.2
347.04977	0.8
347.09091	8.7
348.09991	0.9
349.06879	1.3
350.07629	1.7
351.08591	11.2
352.09357	1.4
353.10147	100.0
354.10391	2.2
361.10785	0.9
363.08664	1.8
365.06348	1.8
365.10175	20.6
366.10861	1.5
367.11661	0.9
371.11157	5.6
375.08649	0.6
377.06287	0.5
377.10202	4.6
379.07617	0.9
379.11746	1.9
380.08975	0.6
387.12436	0.6
389.06235	0.6
391.11798	1.4
395.11234	46.5
401.09976	0.7
405.13458	3.9
407.06992	0.8
407.11575	1.1
413.11792	0.9
415.11581	0.6
419.06244	0.8
419.11295	9.2
425.07843	0.9
425.12799	1.0
431.11145	1.5
433.12439	1.0
437.12399	0.6
443.09601	3.0
449.12137	2.6
461.12204	5.0
479.13348	13.1
480.13626	0.6
497.14395	33.4
515.15479	28.8
516.15460	0.8
533.15857	2.0
533.24945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05489	0.3
57.01760	0.3
58.86967	0.3
59.12121	0.3
67.05502	0.7
68.99797	0.4
69.88874	0.3
70.06583	0.3
70.22726	0.3
70.28423	0.3
70.45847	0.3
79.05476	0.3
81.03387	1.0
81.07006	0.6
81.83394	0.3
83.08595	0.4
85.02866	0.7
86.09669	0.3
91.05461	0.7
95.04977	0.3
97.02820	0.3
100.89123	0.3
107.04946	0.4
109.02831	0.4
117.03343	0.3
119.04919	0.3
119.08535	0.3
127.03860	0.3
135.04378	0.4
137.02319	5.1
137.05948	0.5
141.01801	2.6
145.02806	1.1
147.04388	1.8
153.01785	0.3
161.05940	0.3
163.03856	1.1
165.01784	1.8
177.05443	2.2
178.05708	0.3
183.02852	2.3
184.07385	0.9
187.03902	0.6
213.05408	1.0
217.04922	0.5
231.06447	0.4
236.93604	0.3
241.04932	1.2
259.06015	0.5
287.05334	1.0
299.05383	0.4
315.04941	100.0
316.05200	1.0
369.13257	0.4
371.11221	21.9
372.11636	0.4
533.16229	0.8
552.72363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1643
Annotation	Orientin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
53.03935	0.7
55.01857	1.2
57.03410	0.9
61.02930	1.5
67.15224	0.3
69.03428	3.4
69.76748	1.8
72.46029	0.3
79.05483	0.5
81.03406	1.6
85.02898	7.4
91.03931	0.5
91.05476	2.1
92.59649	0.3
97.02892	3.2
98.21531	0.4
99.04417	0.5
107.04939	1.7
109.02856	1.1
109.06428	0.3
119.04922	3.2
120.35679	0.3
123.00809	0.4
123.04492	0.4
127.03898	2.0
131.04889	0.3
135.70667	0.3
137.02325	6.0
137.03391	0.2
141.01834	2.9
145.04955	1.6
147.04396	10.0
153.17941	0.3
161.05902	0.5
163.03889	1.7
165.01859	2.3
167.07040	2.5
171.04483	0.3
183.02847	2.4
185.06049	0.4
187.03802	0.4
213.05417	0.9
215.07039	0.8
217.04892	0.6
241.04967	1.6
245.69244	0.3
248.08369	0.4
259.05972	0.6
277.08429	0.4
279.06512	0.3
287.05417	0.7
291.10107	0.5
293.08057	0.4
315.04947	100.0
316.05441	1.5
337.10657	0.6
339.08633	0.5
369.13376	2.6
371.11203	16.2
488.94592	0.3
512.19061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01881	0.7
63.30017	0.4
65.03931	0.6
70.53976	0.4
70.86082	0.8
76.07367	0.4
79.05470	0.6
81.03403	1.5
85.02884	1.0
91.05478	2.2
93.03374	0.6
95.04975	0.8
97.02893	0.6
105.03418	0.4
105.15472	0.4
107.04931	1.4
109.02858	1.4
119.04920	3.2
121.02873	0.4
123.04382	1.3
127.03918	0.6
129.06950	0.6
131.04854	0.6
131.94357	0.4
132.18222	0.5
135.04364	0.8
137.02333	22.4
137.03358	1.3
137.05916	0.5
146.77881	0.4
147.04402	9.5
149.05980	0.7
151.03874	1.1
153.05438	0.6
161.02335	0.6
163.03862	0.9
165.01840	0.6
167.06963	0.9
168.02815	0.5
171.04410	1.0
175.03883	2.3
177.01825	1.8
179.03328	0.6
181.06615	0.5
185.06050	0.6
187.03850	0.6
189.05368	0.9
195.02872	6.6
197.05946	1.4
199.03947	0.8
201.05455	0.6
203.03351	1.7
207.02809	0.8
209.05960	0.5
215.07025	0.8
217.04950	1.7
221.04488	0.8
223.07616	0.8
225.05505	2.1
226.06190	0.5
227.07001	0.7
229.04700	0.6
251.06996	1.4
253.04955	2.1
254.05713	1.5
255.06409	1.0
271.06018	0.5
272.06705	0.7
279.06470	0.8
281.04245	0.7
286.04645	1.6
293.08054	0.6
294.08734	0.6
297.07538	0.9
299.05466	2.3
300.06329	3.0
301.06873	0.6
307.05914	0.6
311.05435	1.4
314.04156	3.4
315.04901	3.8
324.06033	0.5
325.06897	0.5
327.04962	100.0
328.05618	7.0
329.06558	4.9
330.07007	0.6
337.10693	1.0
339.04941	4.4
339.08359	0.7
341.06509	3.9
349.06909	0.8
352.05850	0.9
353.06503	12.8
355.04160	0.5
357.06009	50.9
358.06381	1.4
365.06104	0.7
367.04129	0.7
367.08102	8.9
369.05981	1.0
369.13235	1.9
371.11307	0.8
379.21060	0.5
381.06009	22.9
382.06226	0.8
383.11234	1.2
393.06085	1.8
395.07455	1.9
411.07068	12.1
413.12332	11.3
423.07050	15.2
424.07477	0.6
441.08148	25.8
442.08795	0.8
459.09192	41.4
460.09216	1.3
477.10297	5.9
497.14288	1.1
515.15369	3.1
533.16486	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	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.9
55.01858	6.0
55.05505	24.8
57.03413	5.8
65.03916	4.2
67.05499	96.1
69.03427	5.0
69.07066	29.3
71.04977	6.2
71.52895	2.6
79.05482	60.4
81.03387	3.0
81.07046	86.2
81.52924	1.8
82.07373	2.0
83.04985	10.7
83.08596	7.6
85.06527	7.0
91.05473	72.5
93.07034	72.2
95.04953	10.2
95.08595	36.7
97.06504	6.1
97.10152	4.0
99.04438	2.7
99.08067	2.1
105.06310	3.3
105.07018	61.8
107.04932	2.0
107.08580	54.3
109.06508	10.5
109.10144	83.2
111.08007	2.3
112.75538	1.8
113.05963	3.3
117.06995	9.6
119.08574	19.5
121.10139	22.9
123.08064	2.1
123.11718	14.0
125.09620	3.8
127.07526	4.3
129.06966	3.4
131.08563	15.9
133.10117	100.0
134.57207	1.7
135.11682	16.7
141.06853	2.2
143.08551	4.5
145.10080	9.3
147.11691	9.8
149.13208	9.4
151.11162	49.2
159.11685	12.2
161.09651	4.6
161.13225	6.0
163.14850	3.5
169.12209	12.5
171.11606	2.3
173.13240	5.2
175.14833	2.4
179.10590	3.9
187.14784	2.0
215.12711	3.7
243.21133	4.9
253.14330	82.1
261.22098	23.2
287.23624	2.2
315.22888	2.4
317.24756	5.1
338.43692	1.8
349.90485	1.8
421.31277	2.3
439.32257	4.4
455.47165	2.0
457.33023	7.0
513.35712	17.4
531.36719	83.6
532.37103	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	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
55.01855	6.4
55.05507	22.5
56.28821	1.5
57.03417	6.2
57.07064	3.6
65.03918	3.9
67.05496	92.6
69.03413	3.8
69.06724	2.1
69.07062	23.4
70.04577	2.9
70.04976	3.5
71.04993	8.4
79.05488	59.4
81.03400	3.7
81.07047	83.5
81.62947	1.3
82.07352	1.7
83.04977	9.5
83.08585	6.7
85.06522	6.7
87.04430	2.2
91.05470	61.1
93.07032	68.4
94.68537	1.5
95.04980	10.0
95.08596	32.9
97.06489	4.9
97.10161	3.4
99.04450	4.5
105.04520	1.8
105.07021	55.6
106.07391	1.9
107.07884	3.1
107.08583	53.4
109.06508	8.0
109.10149	85.0
111.08066	2.1
113.05978	4.3
117.07025	11.8
118.55075	1.5
119.08566	15.3
121.09337	2.0
121.10138	23.7
123.08125	2.6
123.11691	12.9
125.09613	2.5
127.07547	3.6
129.07018	2.0
131.08524	13.9
133.10115	100.0
135.11682	16.8
143.08522	2.2
145.10147	7.4
147.11632	5.8
149.13240	8.1
151.11160	50.2
159.11661	6.7
161.09578	1.7
161.13246	4.3
163.14790	3.4
169.12215	11.1
173.13202	4.7
175.14767	1.5
177.05443	6.5
179.10672	2.4
185.13278	2.1
187.14783	3.0
215.12733	4.2
221.87538	1.7
230.76834	1.7
233.22592	2.0
243.21042	4.2
251.78905	1.5
253.14320	87.5
254.14685	2.1
259.20526	2.3
261.22110	22.7
271.15323	4.4
290.70779	1.6
315.23334	2.2
317.24606	5.0
352.66461	1.7
359.54660	1.8
396.81982	1.4
411.31967	2.0
439.31885	7.7
457.32956	4.1
471.28418	1.7
471.34357	1.7
513.35663	15.9
531.36694	82.4
532.36780	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	531.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01853	2.3
57.03432	1.8
61.02900	2.0
63.07058	0.8
67.05495	1.5
68.99758	1.4
69.03419	9.1
70.06566	1.4
70.68192	1.1
71.01364	0.7
71.04986	1.0
73.02897	1.8
73.46445	0.7
79.05477	1.5
81.03406	10.0
81.07037	1.1
85.02892	17.6
86.09675	0.9
87.00825	4.8
91.05446	2.6
95.01297	1.4
95.08559	0.9
95.50119	0.7
97.02873	6.8
99.04466	4.2
105.01878	3.4
107.04955	1.4
109.02869	10.1
109.06476	2.2
113.02319	0.9
117.01863	0.9
117.06983	0.8
119.04918	2.2
121.02840	1.1
123.04386	1.0
127.03894	14.0
129.07025	0.9
131.08543	0.8
137.02319	0.8
137.05948	2.3
139.03883	0.7
145.02924	0.8
145.04945	4.0
145.06560	0.8
147.02856	0.8
147.04395	2.7
149.06001	1.1
151.03934	0.9
153.01811	18.6
153.05406	1.3
159.02863	3.6
159.08055	1.4
161.05988	2.2
163.03900	4.9
163.07509	0.9
166.02556	1.1
169.04921	2.7
173.05901	0.8
175.03880	1.5
177.05437	2.4
178.02539	0.8
179.03410	1.6
181.04936	2.4
187.03897	1.0
191.06998	4.8
193.04944	22.2
193.06493	0.8
195.02824	1.2
197.04315	1.3
205.04871	0.9
205.08624	2.7
207.06436	3.5
208.03654	2.0
208.07256	1.1
211.05980	37.2
215.06993	1.3
217.04987	1.6
219.10117	1.0
221.05978	2.1
222.08960	1.1
223.05992	3.1
223.09572	5.6
231.04922	1.9
233.08121	2.1
235.06015	9.2
241.08617	1.0
247.09575	6.4
250.08311	6.7
253.08629	0.8
265.10678	29.3
269.08179	2.1
283.11725	100.0
284.12085	1.5
285.11188	3.2
295.06107	1.5
323.09152	2.0
327.12204	2.8
344.12500	12.9
345.13196	1.3
369.09525	5.4
395.07779	1.0
465.86520	0.9
525.41010	0.7
531.15100	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	531.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01859	5.2
55.05503	16.0
57.03419	4.3
57.07053	4.6
62.69733	1.7
65.03918	3.5
67.05495	90.5
69.03420	3.8
69.06737	1.9
69.07063	22.7
69.90756	8.4
70.96854	1.7
71.04974	9.5
71.08630	1.7
72.01892	1.9
79.05484	59.3
81.03391	5.7
81.07043	82.2
81.07526	3.9
83.04986	9.2
83.08624	9.3
85.06528	8.0
91.05469	62.8
93.07030	65.2
95.04945	10.9
95.08595	41.8
97.06517	5.4
97.10140	2.1
99.04393	1.7
105.07017	59.7
107.04942	2.0
107.08575	55.7
107.09305	2.8
109.06493	8.2
109.10141	81.0
110.24458	1.7
111.08070	3.1
113.05986	4.1
117.06983	8.5
119.08572	15.9
119.83944	1.7
121.10118	20.6
123.08051	3.5
123.11694	12.9
127.07530	5.8
128.06160	2.9
129.06966	2.9
130.66557	2.0
131.08537	18.5
133.10109	86.1
135.08054	2.1
135.11671	17.4
137.13214	2.2
143.08517	5.0
145.10092	10.2
147.07867	2.1
147.11658	8.2
149.13237	11.1
151.11154	40.4
152.11459	2.4
159.11673	7.3
161.09566	3.7
161.13220	6.2
163.14767	2.1
169.12239	10.2
171.11725	2.9
172.23105	1.7
173.13269	7.0
175.14714	2.0
179.10596	3.0
185.13255	2.0
187.14751	2.9
193.36859	1.7
195.00235	3.1
199.14784	1.8
215.12752	5.1
243.21132	6.0
253.14319	100.0
254.14505	3.0
261.22079	23.6
271.15521	2.8
288.24219	1.7
314.27698	2.1
317.24722	3.3
385.44452	1.7
439.32037	7.3
457.33020	8.1
513.35767	20.2
518.55927	2.0
531.27075	5.5
531.36719	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01862	2.4
55.05507	18.1
57.03424	4.0
57.07073	4.2
60.57339	0.9
63.65691	0.8
65.03924	3.2
67.05497	63.6
69.07059	20.2
70.06617	0.8
71.03294	2.2
71.04980	3.1
74.97023	0.8
77.03919	1.6
79.05485	47.4
81.03408	2.0
81.07047	71.2
83.04971	3.2
83.08615	11.5
85.06532	2.6
90.48170	0.9
91.05470	35.2
93.07034	58.4
95.04956	5.9
95.08598	37.9
97.06528	6.5
97.10158	2.6
99.08093	2.1
103.05451	1.1
105.04514	1.9
105.07024	24.7
107.08579	30.5
109.06496	2.5
109.10151	12.8
111.08076	3.5
115.05470	0.9
117.07001	12.1
119.08564	17.4
121.06505	1.6
121.10134	21.4
123.08067	2.0
123.11684	3.4
125.09673	1.5
128.06204	1.7
129.06996	4.2
131.08549	21.5
133.10120	17.0
135.08067	2.0
135.11678	14.0
139.11266	1.1
141.07109	1.0
143.08540	7.1
145.10098	14.5
147.11699	6.5
149.13237	15.5
149.14371	1.2
151.11154	1.4
155.08582	3.3
157.10132	6.5
159.11682	13.6
161.13316	4.7
163.14890	1.1
165.12845	0.9
167.08575	1.4
169.10165	3.6
171.11667	5.5
173.13258	6.7
175.14766	1.7
177.12756	3.4
179.14253	0.9
181.10078	1.5
183.11662	1.8
185.13280	4.2
187.14772	4.5
195.12047	1.5
195.13811	5.8
197.13219	1.7
199.14806	2.7
209.13289	1.5
211.14835	1.4
213.16420	1.3
223.14824	1.4
259.20706	1.1
261.22104	2.8
283.26340	0.9
286.39819	0.9
317.24637	1.5
339.26669	1.0
411.69370	1.0
419.33084	2.4
437.34125	8.3
455.35217	3.9
473.36377	1.7
511.37640	4.4
529.38837	100.0
530.39014	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.97489	0.8
55.01866	1.4
55.05505	17.2
57.03431	3.9
57.07063	2.7
57.22442	0.8
65.03922	2.2
67.05495	46.8
68.05846	0.9
69.03419	0.9
69.07056	16.9
70.06590	1.2
70.74946	2.4
71.04981	3.0
79.05486	35.3
80.05814	1.2
81.03452	1.9
81.07047	50.8
83.04977	2.2
83.08608	10.0
85.06543	1.7
85.18863	0.8
87.04454	8.7
88.07608	0.9
90.61631	0.8
91.05470	26.1
93.07034	44.1
95.04924	4.1
95.07984	1.6
95.08598	29.5
97.06518	5.3
97.10153	2.3
99.08085	1.2
102.09142	1.2
105.04520	1.4
105.07021	19.0
106.53711	0.9
107.08585	24.4
109.06469	1.4
109.10134	8.8
111.08088	2.8
115.05430	1.5
117.06999	10.5
119.08575	13.4
121.06528	1.9
121.10123	16.8
123.08065	1.3
123.11722	3.2
125.09576	0.9
128.06245	1.1
129.07014	5.3
131.08548	17.2
133.10120	12.7
135.11678	10.5
137.13185	1.0
141.07025	1.7
141.57892	0.8
142.07729	1.0
143.08517	6.0
144.09325	1.0
145.10100	13.3
147.11679	8.2
149.13237	11.8
151.11217	1.1
155.08505	2.4
157.10114	5.0
158.05135	0.8
159.11682	14.7
161.13286	3.5
163.14786	1.7
167.08493	0.9
169.10141	3.0
171.11732	5.4
173.13275	7.7
175.14864	1.3
177.12762	2.7
181.10048	1.2
183.11720	2.0
185.13158	5.5
187.14816	3.3
195.11884	1.4
195.13812	4.8
197.13287	3.5
199.14894	3.8
201.16377	1.5
209.13293	1.5
211.14850	1.1
213.16391	1.3
225.16377	1.0
237.16345	0.8
256.26352	7.4
261.22064	2.1
276.72058	0.8
285.22440	1.4
299.23654	1.5
313.24954	0.9
315.22879	1.0
317.24622	1.4
352.38290	1.0
357.65033	0.8
375.75723	0.9
419.33084	2.1
437.34109	8.9
438.09537	0.9
444.48718	0.9
455.34964	4.3
473.36365	1.9
511.38129	4.5
529.38818	100.0
530.38843	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
53.07328	3.1
54.87567	3.0
55.05508	20.3
57.03415	9.5
57.07063	6.2
61.96204	3.0
67.05499	94.6
69.07047	16.3
69.85674	3.5
71.01354	4.2
71.13831	8.6
73.02889	6.9
79.05486	46.7
81.03416	7.3
81.06593	6.7
81.07047	100.0
83.08600	12.1
85.02919	16.8
91.05477	27.3
93.07028	60.1
95.01301	8.0
95.04971	4.1
95.08596	77.9
97.06517	4.1
105.07027	24.6
107.08589	45.7
109.10153	41.1
113.02383	4.7
117.06992	14.3
119.08575	22.1
121.10123	36.6
123.11692	22.2
125.09663	4.1
129.06963	7.4
131.08528	24.8
131.46811	3.4
133.10072	18.1
135.11658	27.0
137.13214	11.8
141.01781	10.7
145.10074	20.7
147.11641	13.8
149.13248	23.5
159.11693	17.5
161.13264	12.6
163.14824	8.2
171.11586	6.6
173.13272	13.0
177.16327	4.2
185.13220	4.2
187.14825	9.3
233.22589	4.4
243.21088	27.5
256.26291	32.3
261.22131	95.2
279.23068	10.4
303.23312	4.8
335.25812	27.1
336.75128	4.3
339.22916	4.9
353.26843	81.4
355.22598	4.9
422.03241	4.2
431.28375	7.1
511.28891	7.6
529.24963	4.6
529.37939	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	528.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
53.87751	2.6
55.01863	12.0
55.05492	13.2
57.03423	8.2
61.02922	5.6
67.05502	24.8
68.05824	3.5
68.99766	3.2
69.03439	19.8
69.07059	29.1
69.81065	2.5
70.06575	6.3
71.04982	4.1
71.52785	4.3
73.02917	6.3
79.05483	22.5
80.05846	2.9
81.03413	19.1
81.07055	14.5
82.07378	3.3
83.04980	21.1
83.08621	8.2
84.05294	3.9
85.02896	36.8
85.06554	3.6
87.00840	13.2
90.73715	2.9
91.05479	12.0
91.28004	3.0
92.57807	2.5
93.07037	20.3
94.07374	5.6
95.04948	9.7
95.08585	6.5
97.02873	14.2
97.06514	7.5
99.04440	10.7
100.11250	11.2
103.05447	3.3
105.01876	13.2
105.07015	17.7
106.07346	3.8
107.04934	12.0
107.08570	14.3
108.05275	4.4
108.08926	5.5
109.02873	18.9
109.06505	5.5
109.10152	5.6
111.04424	20.7
111.08058	4.7
112.04761	7.5
115.05415	3.9
117.01839	3.2
117.06998	8.6
119.04924	5.2
119.08530	5.4
121.10118	12.2
122.10435	6.7
127.03896	23.7
129.06969	2.6
131.04907	4.9
131.08528	5.3
133.06476	7.9
135.08078	3.2
135.11656	11.8
136.11993	5.6
145.02834	5.6
145.04922	8.7
145.10112	12.0
146.10461	7.6
147.02843	2.9
147.04366	7.9
147.08035	3.0
153.12685	6.6
154.13103	4.6
157.06483	2.8
159.02905	5.9
160.11223	2.9
161.06001	10.2
163.11159	19.0
164.11530	8.9
173.09602	8.1
174.09932	5.1
177.05475	19.7
181.12202	8.1
182.12604	8.2
182.15359	3.7
187.07549	7.6
189.05475	22.0
191.10683	9.8
192.10974	8.2
195.06464	8.7
195.08084	9.3
203.07054	6.1
207.06496	100.0
207.08418	5.9
209.11685	4.0
209.16452	4.3
210.12137	4.0
210.14992	3.3
213.03688	2.8
226.06393	2.9
227.07141	3.8
227.10576	10.0
227.12776	13.4
228.13123	9.0
237.09120	2.9
243.10283	4.4
245.07932	3.6
245.11717	90.3
257.11752	3.2
263.12717	28.4
265.14365	7.9
266.14658	9.8
283.15390	7.6
284.15698	7.1
293.11703	3.5
299.05405	3.9
335.12750	6.6
353.10065	24.1
353.13541	2.9
453.34009	2.9
492.26920	6.2
506.45691	2.8
509.83496	2.9
528.28558	10.0
529.13037	6.6
550.61938	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54278	1.7
51.02366	2.1
53.03948	9.2
55.01867	35.5
55.05508	22.3
55.35759	1.7
57.03424	8.5
59.04987	2.0
59.74813	1.8
65.03922	7.9
67.05500	92.6
69.03418	5.5
69.07066	16.9
69.87202	3.1
69.87610	8.7
71.04639	1.9
71.04983	12.3
73.02924	5.1
79.05486	81.3
81.03419	24.8
81.06593	4.0
81.07048	65.4
83.04974	67.5
83.08617	9.1
85.02898	14.8
85.06541	9.9
91.05472	51.5
93.07035	95.7
95.04966	28.3
95.08595	31.4
97.02875	6.1
97.06519	26.0
97.07095	3.6
99.04441	15.4
99.08055	4.7
101.02400	4.6
103.05468	2.6
105.01874	1.9
105.04522	3.3
105.07025	24.4
107.04950	46.5
107.08583	48.9
109.02869	3.6
109.06506	9.9
109.10141	22.7
111.04433	100.0
111.08082	23.7
115.05417	3.8
117.07016	27.2
119.08570	28.1
121.06488	8.8
121.10128	56.1
123.04415	3.3
123.08022	3.0
125.05975	9.0
127.03908	4.3
128.06259	2.6
129.05458	3.6
129.06969	9.1
130.07745	3.0
131.04927	5.6
131.08565	22.3
133.10086	3.9
135.08023	7.8
135.10699	3.9
135.11684	57.4
137.09627	2.9
143.08588	3.4
145.06441	9.6
145.10106	56.3
147.08003	3.4
147.11684	7.2
149.09636	10.8
153.01851	3.0
153.12738	45.2
155.08545	15.2
157.10138	2.5
158.07219	1.9
163.11169	85.5
173.09615	35.8
181.05011	2.3
181.12215	55.3
189.05391	2.1
191.08942	3.7
191.10655	49.8
193.12160	2.1
195.08090	2.3
200.13194	1.9
207.06528	11.1
209.11754	24.9
227.10526	4.0
227.12756	68.8
245.11734	4.6
265.14319	60.4
283.15338	51.5
301.16302	5.6
331.08179	4.0
347.22009	3.7
365.23380	2.7
427.24826	2.5
458.66803	2.0
473.25363	11.5
491.26434	13.6
509.27322	8.7
527.13928	5.6
527.28632	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03946	5.8
55.01865	3.6
55.05509	22.2
57.03421	3.0
57.07074	1.9
65.03926	5.9
66.75499	1.0
67.05499	70.4
69.03446	2.3
69.07064	17.9
69.94596	5.6
71.04977	3.7
77.03918	1.5
79.05486	74.9
81.03405	12.7
81.07049	63.4
83.04973	18.3
83.08607	9.2
85.06526	2.5
85.88844	1.2
89.06017	11.3
90.06352	1.6
91.05474	75.9
93.07037	68.2
95.04965	17.7
95.08598	36.0
95.09079	0.6
97.06499	6.3
97.10159	2.5
99.08076	1.3
103.05454	2.7
105.04498	2.1
105.07021	44.3
107.04951	10.7
107.08583	23.3
109.06517	4.6
109.10155	10.5
111.08065	1.8
113.05983	1.3
115.05444	3.9
117.06993	9.1
119.08573	23.6
119.09381	2.0
121.10127	21.5
123.08076	1.2
123.11706	2.4
127.07581	2.5
128.06218	2.6
129.07001	13.3
131.08557	22.7
133.06464	1.1
133.08620	6.6
133.10104	30.3
134.08963	1.1
135.11678	11.9
141.07013	1.3
142.07770	4.8
142.84642	1.1
143.08543	5.8
145.10112	12.7
147.08031	1.9
147.11674	17.5
149.09624	1.9
149.13228	5.4
155.08537	4.7
157.10114	17.1
159.11659	7.3
161.13289	4.2
163.11180	2.6
163.14905	1.2
169.10121	4.5
171.11639	5.5
173.13235	5.9
175.11174	13.1
175.14804	2.4
177.11221	1.9
181.10098	1.7
183.11710	4.5
185.13283	2.4
187.14844	2.2
193.12230	19.3
195.11685	1.1
197.13435	2.0
209.13196	1.7
211.13301	4.7
223.14926	1.8
243.21074	1.8
261.18933	0.9
261.21976	5.9
267.15948	2.4
317.24860	1.7
327.20102	2.9
328.20532	3.9
335.25800	3.4
435.32550	4.9
453.33771	2.1
471.34894	2.4
509.36151	4.6
527.37292	100.0
528.37421	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01849	3.7
55.05267	2.1
55.05504	25.8
56.73326	1.7
57.03419	8.2
61.02649	1.9
61.02921	20.9
61.16619	1.9
65.03903	1.9
67.05186	2.2
67.05497	32.2
69.03439	9.6
69.07059	13.6
70.06563	2.3
71.04964	2.3
71.52955	2.1
73.02887	5.0
79.05070	2.6
79.05486	31.6
81.03394	8.1
81.07044	41.0
83.04958	4.0
83.08589	7.0
85.02888	20.0
85.06506	2.3
85.19457	1.8
85.28046	1.7
86.09660	2.2
87.09361	1.8
91.03938	7.9
91.05470	47.7
93.07026	31.1
95.04262	1.5
95.04956	7.7
95.08594	22.8
95.79562	1.6
97.02869	8.6
97.06508	6.2
97.10133	7.9
99.04456	2.1
103.05460	3.4
105.07021	41.1
107.04931	5.2
107.08564	14.4
109.02849	3.8
109.06514	13.5
109.10117	5.5
111.04399	2.6
111.08054	4.5
115.05418	4.6
117.07003	27.4
119.04884	2.1
119.08578	27.3
121.06483	8.0
121.10143	9.0
123.04398	2.8
123.08022	6.2
125.09573	4.6
127.03861	5.3
128.06227	11.2
129.06973	17.2
130.07774	5.6
131.08553	50.4
133.06459	8.2
133.10110	14.9
135.08022	6.8
135.11662	6.9
139.11226	2.1
141.06989	11.6
142.07782	3.7
143.08545	57.2
145.06494	3.7
145.10101	55.3
147.04375	5.3
147.08029	10.0
147.11639	7.8
149.09598	4.6
149.13297	2.5
155.08502	5.6
157.10133	15.9
159.08028	5.9
159.11665	15.9
161.09613	12.4
161.13173	2.4
163.11183	5.8
165.07001	3.8
165.12775	1.9
167.08415	2.7
169.10126	10.2
171.11700	10.6
173.09578	4.9
173.13150	2.1
175.11182	4.7
177.05499	3.2
177.08936	1.8
177.12706	5.7
181.10109	10.4
183.11649	8.5
185.09593	1.9
185.13217	7.0
189.12682	2.7
195.11606	15.7
201.12714	2.0
209.11542	2.8
213.12685	3.2
227.14449	2.4
227.17923	6.7
237.16306	17.3
245.19067	5.4
245.34528	2.0
247.09590	2.6
255.17444	21.3
273.18469	52.5
291.19357	3.2
347.22128	100.0
365.23431	3.1
509.48254	2.0
527.28186	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
54.17459	1.7
55.01870	6.4
55.05508	23.4
57.03437	11.5
61.02917	16.4
65.03917	1.7
67.05499	29.7
68.63161	1.8
69.03429	22.8
69.07065	23.5
69.24790	3.6
69.25203	16.4
71.01344	2.9
71.04966	3.9
73.02916	8.4
76.02346	2.0
79.05487	31.0
79.65993	1.5
81.03412	26.5
81.07053	32.1
83.04988	10.2
83.08612	12.4
85.02897	20.6
85.06518	2.1
87.04444	1.8
91.03948	6.4
91.05481	23.1
93.07038	20.6
95.01323	2.2
95.04950	12.0
95.08608	12.1
97.02882	25.1
97.06505	5.9
97.10170	20.2
99.04451	6.3
99.08107	1.9
101.02363	5.1
103.03954	4.9
105.07024	16.1
107.04933	8.4
107.08582	18.9
109.02859	5.5
109.06525	5.1
109.10147	10.6
111.04457	3.6
111.08092	4.1
115.03901	1.7
117.07002	7.6
118.83449	1.6
119.04912	3.7
119.08577	13.8
121.06504	4.7
121.10157	6.9
123.08073	7.2
123.11695	2.1
124.82253	1.6
125.05960	1.7
125.09628	14.4
127.03915	11.8
128.06256	4.1
129.05490	2.3
129.07013	5.6
131.08569	10.4
133.06508	3.8
133.10130	6.3
135.08017	6.0
135.11699	4.0
137.09639	4.3
141.06953	1.9
142.07735	1.8
143.08540	5.3
145.04994	2.5
145.06482	3.1
145.10120	6.8
147.04411	3.7
147.08064	6.7
147.11703	2.8
149.09592	2.8
149.13287	2.9
151.07489	2.3
153.09138	2.3
157.10126	3.8
159.11641	3.1
161.09621	3.4
163.11147	4.0
165.09163	3.1
171.11717	1.9
173.09673	2.6
175.11154	4.9
183.06543	2.1
189.11215	12.8
191.10698	2.4
193.12241	5.8
211.13292	7.2
223.13345	17.5
227.12769	4.7
229.14204	2.2
233.15175	1.9
249.14879	2.4
255.17584	2.6
267.15836	2.1
273.18527	21.0
291.19525	100.0
333.20572	2.7
347.22321	4.3
365.23187	30.2
509.27466	3.4
527.28442	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	527.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
62.21936	0.6
62.66598	0.6
67.05491	1.6
69.07053	1.7
70.84413	1.7
77.98891	0.6
79.05470	1.2
81.07042	5.3
82.07393	1.2
85.02898	0.9
85.06518	1.6
91.05477	1.5
93.07027	2.0
95.08589	3.0
96.08917	0.9
97.02881	0.9
97.06544	0.8
105.07015	1.5
107.08566	2.1
109.10130	2.0
110.10490	0.8
111.08045	1.0
119.08560	1.1
121.06564	0.8
121.10162	1.2
122.10435	0.8
123.11707	1.8
131.08537	0.7
135.11682	1.2
147.11682	0.9
149.13310	0.7
161.13239	0.8
162.13588	0.7
177.05472	0.8
185.04277	0.9
201.03842	0.9
203.05321	1.3
217.19595	1.6
218.19749	0.8
220.73846	0.6
229.03139	0.6
235.20578	2.6
236.20882	1.5
237.21242	1.0
243.04723	3.8
245.06302	3.9
253.21619	1.2
254.22026	1.1
255.22308	2.0
261.18158	2.2
263.19922	3.2
279.19324	11.2
287.03708	32.0
289.05267	45.9
293.27396	0.9
321.19113	2.9
339.20166	1.4
441.24472	2.5
483.25604	16.0
509.23563	0.9
513.85101	0.8
527.24597	100.0
528.24872	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	527.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87751	0.2
55.01851	0.2
55.05491	0.4
61.02907	0.5
67.05468	0.9
69.03394	0.2
69.07059	0.2
70.06560	0.2
71.04964	0.3
71.32029	0.3
79.05452	0.8
79.05854	0.2
79.71719	0.2
81.03374	0.6
81.07004	0.7
83.08601	0.3
85.02855	0.4
85.06534	0.2
85.29890	0.2
86.09686	0.2
91.03915	0.2
91.05483	1.4
93.06998	0.9
95.08570	0.5
97.02845	0.3
105.06987	0.8
105.55753	0.2
107.08579	0.4
109.10108	0.4
115.05468	0.3
117.06997	0.5
119.04905	0.5
119.08522	0.4
121.10110	0.4
125.09664	0.2
128.06268	0.3
129.07007	0.3
131.08571	1.0
133.10069	0.4
135.08025	0.3
137.02296	0.2
137.06001	0.3
143.08563	1.1
145.10112	0.6
147.04390	0.6
147.07979	0.3
149.05951	0.2
153.01802	1.0
154.02534	0.4
157.10144	0.4
159.11644	0.2
163.03839	0.2
171.11613	0.2
178.02538	0.5
179.07025	0.2
195.11772	0.3
203.03391	0.2
213.05550	0.3
229.04842	0.2
237.16251	0.2
241.04836	0.3
242.03366	0.3
242.05687	2.8
245.04546	0.2
255.02760	0.3
255.17403	0.2
257.04349	0.2
258.05246	3.1
269.04428	0.6
270.05212	9.7
271.05621	0.2
273.03860	1.8
273.18427	0.7
285.03952	0.7
286.04684	1.2
287.05469	4.9
299.05548	1.1
301.03400	3.0
302.04181	3.1
302.77859	0.2
311.67856	0.3
313.03409	1.5
315.04950	45.9
316.05685	5.3
329.06421	0.3
331.08084	100.0
332.08487	1.5
347.22086	0.9
399.47198	0.2
527.15417	7.8
527.31061	0.4
530.70300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1541
Annotation	CHEBI:67643
Peak:m/z	Relative Intensity
50.99152	0.2
52.47603	0.2
53.68049	0.2
54.27074	0.2
55.05467	0.2
57.03382	0.4
60.24955	0.2
61.02880	0.3
62.25021	0.2
67.05440	0.8
69.03374	0.3
69.06944	0.2
70.12737	0.8
79.05421	0.5
81.03379	0.4
81.06994	0.5
85.02850	0.3
85.06486	0.3
91.03875	0.2
91.05386	0.3
93.06993	0.4
95.04959	1.1
97.02848	0.4
98.20831	0.3
105.06949	0.3
109.06508	1.1
113.05910	0.7
119.08526	0.3
135.07953	0.5
142.07675	0.2
145.10007	0.2
147.04327	0.3
153.01759	0.9
161.09561	0.3
178.02536	0.8
179.07027	0.3
216.56779	0.2
241.04887	0.4
242.05702	3.0
253.05051	0.5
254.91246	0.2
258.05231	2.9
259.05692	0.2
269.04407	0.2
270.05203	10.4
271.05743	0.3
273.03922	2.1
273.18384	0.7
274.83017	0.2
285.03882	0.5
286.04703	1.5
287.05450	4.7
291.19464	1.2
298.04382	0.3
299.05423	0.8
301.03348	2.4
302.04184	2.6
313.03436	1.4
315.04941	42.4
316.05692	5.5
331.08075	100.0
332.08417	1.8
365.23502	0.4
527.15472	2.0
527.28741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60700	0.5
55.05482	0.6
61.52637	0.6
67.05472	1.6
68.09094	0.5
69.03394	0.6
69.07046	1.3
71.05006	2.7
71.08147	1.5
78.32238	0.6
79.05469	2.3
81.03383	0.7
81.07059	3.4
83.04923	0.5
83.08588	0.5
85.02867	1.5
91.05440	2.6
93.07033	3.6
95.04945	0.9
95.08582	1.4
97.02875	0.7
97.06541	0.7
97.10201	0.6
105.06999	1.2
107.08572	2.6
107.47281	0.5
109.02876	0.7
109.06464	0.7
109.10150	1.0
119.01881	1.8
119.08530	0.5
121.10123	1.3
123.04370	0.6
131.08533	0.6
133.10052	0.8
134.90715	0.5
143.01874	1.5
145.10187	0.5
147.04390	0.7
153.01755	0.8
157.03490	1.0
157.10022	0.7
161.02911	1.9
175.04529	1.6
191.10455	0.7
191.93375	0.7
203.05298	2.5
207.12228	0.6
216.04193	1.9
227.05206	1.2
245.06313	7.4
259.16666	7.8
261.18268	1.4
271.04141	0.9
272.02713	0.5
277.17776	1.4
287.03720	6.3
287.05917	1.7
289.05270	100.0
290.05722	1.1
315.04889	0.8
319.17676	1.1
439.22583	1.2
481.24057	10.2
507.22122	1.3
525.14172	7.0
525.22986	86.4
526.23572	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41718	1.7
53.03937	2.0
54.83441	1.9
55.01854	2.5
55.05507	12.5
55.60327	2.1
57.07069	3.6
57.32573	1.8
67.05498	18.9
69.03412	6.8
69.07061	22.1
71.04974	4.5
71.11532	5.1
71.62590	1.8
73.06543	2.4
79.05495	16.6
81.03437	2.8
81.07049	100.0
81.07532	4.7
83.08605	12.3
85.02898	8.3
85.06537	23.0
88.15563	1.9
89.09060	1.7
91.05451	5.9
93.07040	29.9
95.04953	3.2
95.08600	62.7
97.02846	2.2
97.06550	9.7
97.07670	2.0
97.10149	5.6
99.08077	11.3
105.07035	21.4
107.08588	37.9
108.73912	2.2
109.02864	2.2
109.10152	41.0
111.08070	28.8
111.11707	5.1
113.05981	5.8
113.09645	2.9
115.07544	2.8
119.08554	15.7
121.10125	23.9
123.10833	3.0
123.11690	42.5
125.09610	14.1
133.10158	9.1
135.11665	16.2
137.13268	12.1
139.11174	13.0
147.11694	9.5
148.48924	2.0
149.13248	23.8
153.12708	5.3
161.13242	25.8
163.14822	14.9
167.14275	2.8
175.14787	2.7
177.16408	3.1
179.14276	3.2
179.17877	2.6
189.16319	2.8
191.17923	9.7
205.19466	5.3
217.17476	3.7
217.19501	52.1
223.20534	3.1
235.20544	51.5
251.06944	2.0
253.21579	44.6
257.25641	1.9
271.22449	2.1
273.25717	3.9
291.26724	9.1
309.27948	5.1
327.28876	3.5
331.45636	1.8
345.29855	2.7
397.26334	2.0
415.26703	2.6
525.23151	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	525.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.5
55.05497	2.2
55.88390	0.4
57.03428	0.5
61.55172	0.4
62.86429	0.4
64.37593	0.5
67.05475	1.1
69.03403	1.1
69.07026	1.7
69.70878	1.8
69.71290	1.0
70.06543	1.1
71.04948	0.7
79.05464	0.9
81.03371	1.2
81.07053	2.3
85.02868	1.6
85.06525	0.6
91.05428	1.4
93.07025	2.7
95.04917	0.7
95.08568	1.7
97.02845	1.1
98.21497	0.7
99.04430	0.9
105.06982	1.6
107.08549	2.0
109.10110	1.0
110.07147	0.5
118.50196	0.5
119.01917	0.7
119.08553	1.1
121.10086	1.8
123.11658	0.5
127.03868	0.7
133.10052	0.8
135.11705	0.6
145.10182	0.4
147.04422	0.8
149.13181	0.5
153.05026	0.4
161.02885	0.6
175.04265	0.4
177.05650	0.6
185.04262	0.5
187.00902	0.5
201.03743	0.4
203.05293	2.7
210.76968	0.5
223.20595	0.5
227.05266	1.3
243.04750	1.3
245.06300	7.1
259.09470	0.7
259.16693	5.1
261.18231	2.7
271.04034	0.6
277.10471	0.5
277.17648	1.9
287.03677	16.3
289.05264	78.1
290.05612	1.1
319.17642	0.7
346.74280	0.5
439.22906	1.6
481.24042	18.0
507.21689	1.1
525.23004	100.0
526.23499	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	524.3708
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.92802	0.3
55.05505	0.6
56.05023	1.2
56.05271	0.3
57.03438	0.4
57.07071	3.5
58.06578	1.3
60.08161	17.4
67.05497	1.0
69.07052	0.6
71.06987	0.4
71.07366	7.0
71.08626	2.1
81.03394	0.3
81.07028	1.0
83.08601	0.5
84.04472	0.3
85.10164	0.9
86.09699	50.0
91.05478	0.5
95.08611	1.0
98.97870	0.4
98.98459	3.9
100.47784	0.3
103.66372	0.3
104.10735	100.0
105.11075	0.6
109.10138	0.5
124.99995	29.0
134.08501	0.2
141.83295	0.3
156.45778	0.3
163.01556	0.6
181.02650	0.4
184.07327	93.2
185.07675	0.4
258.11020	1.1
341.30554	1.3
383.44974	0.3
425.87094	0.3
447.28534	0.4
506.36075	8.7
507.35660	0.3
524.37073	30.2
525.37488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48541	0.2
52.93093	0.2
55.01862	0.4
55.05487	0.5
65.03891	0.5
67.05476	0.9
68.99749	0.3
69.03387	0.4
69.07000	0.2
70.86452	0.7
71.04967	0.3
71.18456	0.2
78.13180	0.3
79.05446	1.1
81.03386	0.5
81.07025	0.8
85.02872	0.3
91.05486	2.7
93.07021	0.6
95.04929	0.7
103.05456	0.5
105.06995	0.9
107.04915	0.8
107.08538	0.4
109.06488	0.4
115.05408	0.4
119.04949	3.2
119.08542	0.4
121.06477	0.5
121.10123	0.4
123.04372	0.5
127.03955	0.3
131.04941	0.3
133.02856	0.3
133.06418	0.5
133.10072	0.4
135.04404	0.4
136.05191	0.4
137.05965	0.4
140.04646	0.6
142.61331	0.3
145.09979	0.3
146.03598	0.3
147.04402	6.0
147.11649	0.4
149.05908	0.5
151.03842	0.5
151.07411	0.4
153.01813	6.0
153.05437	2.6
161.05925	1.0
163.03807	0.5
165.05463	0.6
166.06221	1.2
167.07011	1.2
168.07825	1.9
175.11322	0.4
177.05452	0.4
178.06215	0.4
179.07054	1.6
180.07756	0.9
181.05034	1.3
181.06409	0.3
191.07056	0.4
192.07736	0.4
193.12125	0.3
203.03352	1.2
203.06958	0.4
207.06529	2.3
211.13237	0.3
213.05423	0.8
216.04166	37.3
217.04572	0.6
227.03499	0.4
228.04103	0.5
231.06535	1.1
243.06407	0.5
244.03688	2.9
245.04350	0.3
253.04837	0.4
255.02863	0.3
257.04349	0.5
258.05215	0.5
259.06003	6.0
259.08722	0.3
269.04300	0.4
270.05225	1.2
271.05853	0.7
272.03134	6.4
274.04697	3.0
283.06070	0.4
287.05481	77.9
288.05573	1.4
299.05521	1.8
302.04160	4.1
313.07047	0.5
315.04959	9.5
316.05615	0.7
317.06546	3.9
327.04968	5.2
329.06592	0.3
329.10135	1.1
333.13351	1.2
357.05875	0.4
361.12799	0.6
391.08023	0.4
419.07410	0.4
435.10812	0.5
449.08524	0.3
463.10379	0.7
495.12918	2.1
507.12906	0.8
525.13898	100.0
526.14276	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01854	1.8
55.05503	14.5
55.52310	1.0
56.78597	1.0
57.03440	6.6
57.07072	39.2
67.05503	26.4
69.03419	1.4
69.07063	11.7
71.04975	4.0
71.08620	28.0
79.05487	16.4
81.03411	44.0
81.07048	33.8
83.04984	7.4
83.08152	1.9
83.08612	24.8
85.02897	18.0
85.06532	1.1
85.10177	15.7
91.05470	16.7
93.07037	12.3
95.04965	16.2
95.08602	30.5
97.02903	3.1
97.06497	2.4
97.10173	6.8
97.10707	1.0
104.10732	1.9
105.07021	14.1
107.04958	2.9
107.08596	6.4
109.06494	3.1
109.10147	11.5
111.08080	6.0
113.06002	2.5
115.05462	1.4
119.08583	10.2
121.10139	6.5
123.11672	5.6
124.45721	1.2
129.07033	6.0
131.08571	4.8
133.06491	1.2
133.10159	5.6
133.83093	1.0
137.09598	1.2
137.13257	1.9
137.51578	1.2
142.07759	1.8
147.08031	1.7
147.11691	6.7
149.09625	3.3
157.10095	7.9
161.93390	1.2
165.12756	2.3
175.11160	8.0
193.12238	40.5
211.13269	40.9
211.15283	2.1
239.23677	6.0
267.15894	5.7
313.27396	5.0
416.44958	1.3
500.72150	1.0
505.38837	3.0
523.24310	5.2
523.39929	100.0
524.40448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01867	7.2
55.05507	74.4
56.13035	1.9
57.03433	18.1
57.07057	2.9
59.04996	3.6
60.04525	1.6
61.57111	1.8
65.03931	2.6
67.05499	84.4
67.39305	1.6
69.03414	7.6
69.07059	25.6
69.72502	2.1
71.04968	2.9
71.53049	1.8
79.05484	59.7
81.07049	96.7
83.04968	8.0
83.08611	48.3
83.09114	2.0
85.06510	2.3
90.78181	1.7
91.05480	25.1
93.07037	59.4
95.04942	4.6
95.08596	57.7
97.06544	3.8
97.10159	91.1
105.07027	21.1
107.08585	57.4
107.09311	3.2
109.10141	31.6
111.08067	2.8
115.81213	2.1
117.07019	7.9
119.08584	14.2
121.10134	22.8
123.11689	11.9
125.09621	76.0
131.08540	15.1
133.10118	13.7
135.08043	8.2
135.11658	16.3
137.09625	2.3
137.13246	5.3
137.99345	1.8
143.10692	2.3
143.40559	2.1
145.10094	12.9
147.11681	11.4
149.13252	11.8
151.14764	2.0
153.09088	5.9
159.11693	10.1
161.13225	7.3
163.14836	6.8
171.10164	6.1
173.13234	10.5
175.14859	2.4
177.16399	3.1
185.13330	2.0
187.14873	5.9
189.11201	70.8
191.14215	2.2
201.16333	2.7
227.12750	78.5
233.22704	3.4
243.21057	16.3
245.13831	100.0
261.22101	66.1
279.23260	8.6
317.24734	14.7
335.25766	57.1
353.27164	2.2
395.29428	3.2
408.08115	2.1
413.30408	6.7
431.31497	4.3
487.33844	9.3
493.18494	4.2
505.35239	23.2
509.41888	2.7
523.36578	9.0
539.76337	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51055	4.9
55.05503	18.6
57.03435	4.7
67.05499	38.5
69.03420	9.1
69.07068	25.6
69.51841	40.7
69.72578	5.1
70.06576	10.6
79.05478	23.6
81.03416	8.4
81.07049	100.0
83.04951	6.4
83.08611	11.7
85.02908	14.5
86.09676	10.4
91.05473	26.8
93.07038	51.2
95.04952	14.2
95.08592	73.6
97.02876	8.7
97.06498	12.5
97.10159	6.8
99.08049	6.7
105.07020	39.6
107.08591	33.6
109.10126	45.9
111.11719	5.7
117.07029	5.6
119.04964	8.0
119.08578	31.5
121.10118	44.0
123.04436	5.8
123.11694	21.7
127.03902	6.2
131.08575	15.8
133.10118	21.4
134.74284	5.7
135.11673	24.8
137.09648	8.7
139.11177	6.2
139.23779	5.3
143.08543	6.2
145.04971	5.0
145.10112	20.2
147.04398	9.3
147.11679	19.1
149.13260	10.5
157.02655	6.8
159.11658	31.8
161.13213	12.6
163.14774	10.7
173.13342	10.1
181.12209	7.3
187.14835	5.9
189.16382	12.9
203.17888	14.1
207.06520	22.1
213.16188	6.9
215.17953	45.7
221.18945	5.0
233.18976	38.9
251.17587	9.3
251.20058	94.7
289.25055	6.1
307.26306	9.5
312.10895	5.4
347.10214	7.3
421.04330	5.8
453.05533	6.6
523.21356	14.9
523.32465	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	523.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.5
53.03934	5.9
55.01859	7.6
55.05506	78.8
57.03432	17.0
57.07058	9.9
65.03922	5.1
67.05498	100.0
69.03419	7.8
69.07062	26.7
69.32887	25.6
71.04977	2.5
71.08626	5.9
79.05482	61.2
81.03403	11.6
81.06593	5.4
81.07047	80.3
83.04982	8.2
83.08607	44.8
85.06512	2.9
86.09692	5.0
91.05470	26.5
93.07036	59.9
95.04946	8.4
95.08597	59.8
97.06526	3.6
97.10155	92.3
99.08064	3.3
104.10697	4.8
105.07018	23.3
107.08581	63.1
109.10152	30.3
117.07008	11.5
119.08566	22.9
121.10138	28.8
123.11690	14.7
125.09612	67.5
129.06990	3.7
131.08530	19.4
133.10136	13.9
135.08029	9.7
135.11681	20.5
137.13248	4.8
143.10695	3.2
145.10107	16.9
147.11655	11.6
149.13249	17.3
153.09091	5.4
154.94183	5.1
157.10110	3.0
159.11659	11.6
161.13255	6.7
163.14812	7.2
171.10117	6.1
172.95239	8.2
173.13240	11.4
175.14796	3.8
177.16309	2.4
184.07309	6.0
187.14787	6.2
189.11172	67.1
190.96083	2.6
193.12216	6.8
210.97653	6.6
227.12744	68.2
233.22539	3.3
233.41585	2.4
242.27669	2.4
243.21111	16.5
245.13802	84.5
261.22113	84.4
267.15857	14.2
271.57977	3.1
279.23233	8.5
313.27298	10.6
317.24774	15.8
335.25757	70.7
413.30716	3.5
487.34009	8.6
505.34735	32.6
523.23846	3.4
523.36401	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	523.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.9
55.01852	6.4
55.05504	82.5
57.03427	14.3
57.07051	7.6
67.05495	90.2
69.03400	8.2
69.07059	23.8
69.35802	7.7
69.36221	12.5
75.11330	2.4
79.05484	58.5
81.03407	3.6
81.07046	85.6
83.04954	4.4
83.08607	42.8
85.06507	3.4
87.33263	2.1
88.08555	2.2
88.35757	1.9
90.43001	2.0
91.05450	24.4
93.07030	56.8
95.04942	2.8
95.08594	60.1
97.06481	2.9
97.10157	86.3
97.10786	4.8
98.20799	4.6
105.07018	19.4
107.08582	54.2
109.10130	30.3
111.08060	3.6
117.06984	10.3
119.08582	15.3
121.10137	25.6
123.11683	13.1
125.09607	72.8
127.79639	2.4
131.08575	16.2
133.10100	12.3
135.08009	7.4
135.11673	17.5
137.13231	4.2
143.10638	4.5
145.10080	9.6
147.11676	11.6
149.13245	12.0
153.09090	6.6
159.11717	10.6
161.13181	6.0
163.14809	8.1
171.10056	4.8
172.95200	3.5
173.13226	9.8
187.14783	5.3
187.93907	2.4
189.11192	72.0
210.97629	6.6
227.12741	73.1
233.22716	3.2
243.21051	13.5
245.13818	100.0
246.14215	2.4
261.22113	65.3
262.22415	3.5
279.23047	7.6
299.23569	3.3
313.27341	4.1
317.24591	15.1
335.25778	57.6
413.30457	5.7
431.31384	7.3
487.33984	6.8
505.35049	27.2
523.36230	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	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05501	1.6
56.05016	1.1
57.07066	0.6
58.06602	1.3
59.07381	0.5
60.08158	15.3
67.05495	1.1
68.12840	0.4
69.07064	2.4
69.33974	0.4
70.78035	1.2
71.07367	6.2
79.05474	0.9
81.07047	1.2
83.08604	1.8
86.09697	48.5
93.07026	0.9
95.08589	0.9
97.10147	0.5
98.98456	3.4
102.95397	0.4
104.10732	96.3
105.11053	0.5
109.10146	0.5
124.99989	26.4
147.95921	0.4
163.01514	0.4
184.07321	100.0
185.07704	0.4
185.25427	0.4
185.49667	0.5
239.16266	0.5
258.10983	0.9
339.28986	2.1
382.66031	0.4
399.93872	0.5
445.26923	0.7
504.34427	9.0
505.34625	0.5
511.86981	0.4
522.35516	30.3
523.35980	1.2
535.41998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.9
67.05489	1.8
70.31814	2.8
76.32913	0.8
79.05487	2.1
81.07047	1.8
90.25997	0.7
91.05441	2.1
93.07043	1.5
95.04965	1.5
95.08591	1.2
100.31023	0.7
104.67088	0.8
105.07034	1.1
107.04954	0.9
109.06500	1.1
117.07019	0.9
119.02491	0.8
119.04903	1.8
123.04415	1.5
131.08577	0.7
134.03601	1.2
137.05994	6.5
137.09631	0.8
147.04401	3.1
150.03120	1.7
153.01828	6.3
161.02264	0.7
162.03094	1.2
163.03937	2.2
164.04640	1.5
175.03862	1.1
177.12437	0.8
203.03415	0.9
213.05499	0.8
216.04146	12.2
242.05768	2.6
244.03529	1.5
253.04950	1.0
257.04404	1.8
258.05270	1.3
259.06082	2.6
269.04556	1.7
271.06070	1.5
272.03149	1.4
274.04718	0.8
286.04645	3.6
287.05493	17.4
287.08493	1.3
288.05847	0.9
297.04163	1.2
299.05457	16.9
299.08630	1.5
301.06976	3.7
302.04230	2.5
313.03677	0.9
315.04938	6.2
316.59894	0.8
327.04871	5.2
349.07071	1.1
360.06256	0.8
364.09839	0.8
377.06735	1.2
385.05545	1.6
389.06354	1.8
391.08206	1.1
403.07999	4.9
405.05878	1.4
419.07611	4.0
431.07629	4.6
447.07126	1.3
448.08054	4.5
448.13171	0.8
449.08719	3.8
463.10208	3.2
476.07391	6.8
491.09683	11.2
523.12323	100.0
524.12885	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07060	1.5
67.05483	1.5
69.62758	3.0
69.63157	1.4
74.90813	0.6
78.52066	0.6
79.05506	0.8
81.07020	0.9
83.08577	0.8
89.03903	9.4
95.08585	1.4
97.10151	0.8
105.07003	0.8
107.08612	0.7
109.10117	0.9
117.03368	22.9
120.08122	0.6
124.05178	0.7
134.03600	1.5
135.04372	1.7
145.01653	1.2
145.02832	53.3
149.05963	7.0
177.05453	100.0
184.07262	0.7
186.03963	0.6
186.05437	3.8
264.01385	0.7
468.45309	0.7
505.31467	2.6
523.30267	32.2
523.39124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05505	13.4
55.77473	1.8
57.07069	19.0
65.66872	2.0
67.05499	19.4
69.07066	10.3
70.11032	9.7
71.08625	12.6
74.50053	2.0
79.05489	20.5
81.07048	21.8
83.04947	4.3
83.08599	8.9
85.10143	5.5
91.05465	8.6
93.07027	29.9
95.04951	5.4
95.07988	2.4
95.08596	44.1
97.02831	2.4
97.06548	2.5
97.10153	3.4
98.20748	2.1
99.04425	4.3
105.07011	6.6
107.04955	4.1
107.08576	20.6
109.10131	8.0
117.06966	6.0
119.08556	5.6
121.06451	3.3
121.10143	9.7
123.11707	2.8
125.06008	2.2
135.11679	27.6
145.10081	17.9
163.11186	41.7
181.12207	14.4
227.12759	100.0
432.56528	2.0
521.38287	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	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.9
55.05505	12.9
57.03431	3.5
57.07067	27.1
67.05493	22.4
69.07066	15.4
69.54872	2.1
69.85083	13.1
71.08622	21.5
71.64531	2.2
79.05474	23.7
81.03416	12.4
81.07046	27.6
83.04976	3.9
83.08620	18.4
85.10167	8.8
91.05462	10.4
93.07034	35.5
95.04954	9.5
95.08060	4.2
95.08604	47.7
97.10146	8.2
98.20792	2.8
105.07047	5.9
107.04952	5.9
107.08572	25.7
109.06527	3.4
109.10143	5.1
117.07020	8.8
119.08570	8.9
121.06530	2.5
121.10126	11.3
123.11684	5.1
125.05946	3.9
131.08652	2.8
133.10117	2.6
135.11674	37.4
140.75214	2.4
145.10103	27.4
157.10109	2.7
163.11163	55.0
171.14914	2.2
172.90561	2.6
175.11209	3.7
181.12166	13.5
193.12225	9.2
201.67033	2.7
211.13321	3.3
227.12761	100.0
234.01003	2.7
267.15839	14.3
311.25824	7.1
464.36453	2.6
503.37250	7.1
521.38293	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09299	3.7
50.86454	4.0
50.88560	3.6
55.05505	5.2
67.05486	7.2
69.03426	4.7
69.07059	11.0
70.72706	11.8
71.04978	24.0
76.49523	4.2
79.05489	25.1
79.24632	3.6
81.07050	74.7
85.02896	13.7
87.00788	5.5
91.05455	10.0
93.07047	32.4
95.08567	19.9
97.02859	6.0
97.06535	4.9
105.01838	18.2
105.07016	41.0
107.04821	3.9
107.08589	44.7
109.10145	35.1
119.07800	7.7
119.08565	72.6
121.10117	8.0
123.11689	20.0
127.03882	8.8
127.11212	26.0
129.74399	3.5
133.10100	39.8
135.11674	100.0
137.13200	6.5
143.10666	8.1
147.11664	16.3
153.12689	7.5
161.13257	19.1
201.77458	4.6
203.17921	67.4
221.18987	56.2
239.20294	4.5
249.05969	4.4
492.99194	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47027	3.4
53.03944	4.3
55.05509	62.4
67.05490	9.2
69.03413	10.8
69.07054	28.8
70.06548	6.3
70.65288	4.4
70.65623	10.6
72.08157	5.3
73.02859	3.8
73.52641	3.4
74.70201	3.2
76.42089	3.6
78.70806	3.6
79.05474	9.8
81.03399	5.9
81.07038	30.6
83.04953	6.1
85.02875	9.2
85.06537	9.7
86.09697	5.3
91.05478	16.4
93.07037	35.9
95.04958	11.0
95.08617	17.7
97.10152	8.2
99.08102	7.7
105.07021	25.5
107.04931	4.2
107.08591	26.0
109.02883	4.9
109.06499	14.3
109.10136	7.8
111.11715	6.7
119.08573	14.9
120.08088	3.7
121.10131	100.0
123.08025	8.5
123.11697	12.9
127.03873	4.7
127.07516	9.5
131.08604	6.3
133.10101	13.1
135.11714	24.2
137.09587	4.8
139.11163	19.3
145.10112	16.1
149.13292	5.5
151.11179	4.3
155.10634	4.9
159.11693	11.9
161.13257	5.9
163.11143	9.6
164.11998	4.1
165.01801	4.7
173.13480	3.6
177.16441	5.6
191.17844	5.5
195.02908	4.5
201.16418	10.5
218.42711	4.6
219.17395	28.9
272.24438	3.6
299.05710	4.8
300.06204	4.9
307.05539	3.4
320.08386	3.8
329.50372	3.9
336.73813	3.4
368.08374	5.4
398.09268	5.6
520.32281	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
56.05014	0.9
58.06605	1.5
60.08157	16.3
67.05490	2.1
69.07050	0.6
70.56557	0.9
70.56886	0.7
71.07365	6.2
76.42763	0.6
78.57746	0.4
79.05467	0.5
80.60394	0.5
81.07024	1.8
85.49242	0.5
86.09698	46.6
91.05467	0.5
95.08577	1.7
98.98448	2.9
104.10732	99.6
109.10155	0.8
118.43649	0.5
124.99989	27.2
163.01532	0.8
184.07323	100.0
185.07742	0.6
223.13893	0.5
258.11081	1.4
275.44330	0.6
297.76929	0.6
337.27228	1.0
502.32858	7.6
520.33911	25.7
521.34399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1286
Annotation	5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
51.30461	0.2
60.11941	0.2
65.91065	0.2
68.59024	0.2
69.55814	0.2
70.06532	1.4
76.60628	0.2
86.09675	0.2
89.06213	0.3
98.20853	0.4
123.13802	0.2
148.99452	0.2
152.70464	0.3
153.01747	0.5
192.04118	0.3
213.05392	1.3
229.05029	0.4
241.04985	0.6
251.13797	0.2
256.07224	1.1
257.04382	0.6
259.05978	0.8
269.04465	0.4
272.06848	1.1
283.05960	0.3
284.03879	0.2
284.06744	6.4
285.07187	0.3
286.04721	0.5
287.05490	2.4
300.06342	1.0
301.07077	2.0
302.07938	0.8
303.95856	0.2
313.07132	0.3
314.04123	2.7
315.04898	2.0
316.05780	1.7
326.59052	0.2
327.04935	0.6
329.06525	27.8
330.03241	0.4
330.07285	12.7
345.09656	100.0
346.10001	2.0
346.24161	0.3
473.24121	0.3
521.12836	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	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01866	3.9
55.05504	13.9
57.03417	2.9
57.07071	27.7
64.28772	1.2
64.58429	1.4
67.05501	32.3
69.07060	13.9
71.04984	2.2
71.08620	17.6
73.02896	1.8
77.03859	1.2
79.05492	22.2
81.03445	2.1
81.07047	31.8
83.04971	2.4
83.08607	16.0
85.06521	1.9
85.10178	8.4
91.05462	10.5
93.07045	28.7
95.04981	6.3
95.08604	43.6
97.02885	3.3
97.06521	3.6
97.10155	5.5
99.04453	1.8
99.08086	2.1
105.07009	8.1
107.04948	6.0
107.08584	24.2
109.10145	10.5
117.07025	6.0
119.08563	10.8
121.06520	5.0
121.10133	9.3
123.11702	4.2
125.05960	3.2
129.06967	1.3
131.08554	3.0
133.10121	3.5
135.11678	34.1
145.10109	21.9
163.11165	51.2
165.00963	1.3
172.80197	1.6
181.12215	11.5
209.11787	4.6
227.12769	100.0
239.23749	2.6
265.14401	1.8
266.67343	1.3
286.50049	1.5
293.21057	4.7
313.27615	1.7
388.35110	1.3
503.38162	2.4
521.38409	65.3
522.38916	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	519.197
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26157	32.5
69.26585	19.2
72.28862	4.9
73.04752	11.7
84.04426	6.6
85.02880	5.7
86.09732	5.3
86.51171	4.5
89.66452	5.7
89.94082	5.2
91.05784	38.2
95.12715	4.7
96.26160	5.4
98.20787	10.4
118.06554	17.5
120.72272	5.3
144.08055	7.5
146.05988	70.3
149.04523	8.2
167.05560	32.3
170.06001	7.1
171.96843	5.5
188.07074	100.0
205.09679	44.7
239.09305	7.7
245.73892	5.5
266.99905	9.7
277.26822	5.9
283.03061	12.2
299.05994	43.4
344.97684	17.7
359.03180	6.4
415.03613	6.1
447.78955	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	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41110	0.3
51.50171	0.3
52.51486	0.4
57.03394	0.3
65.01702	0.3
65.03939	0.6
69.03433	0.6
69.07032	0.4
70.06580	1.8
71.04980	0.8
72.08144	0.6
73.04739	0.4
79.05534	0.5
81.03407	1.2
81.07047	0.9
84.08126	0.6
85.02898	1.3
86.09693	1.9
91.05381	0.4
91.05808	1.2
93.07037	0.5
95.04950	0.6
95.08598	0.5
97.02885	0.8
99.04460	0.6
104.05317	0.4
105.07037	0.9
107.04941	0.9
109.02912	0.7
109.10143	0.4
115.93108	0.4
119.04951	1.1
120.08076	0.5
123.04416	0.5
127.03922	0.6
127.07523	0.5
131.08525	0.4
133.10078	0.5
136.07648	0.4
137.05956	2.0
139.03893	0.6
145.08603	1.7
147.04419	3.7
151.03908	0.6
163.03857	0.7
166.36226	0.4
167.05540	2.2
167.06857	0.6
175.07520	0.5
181.04990	2.5
203.05290	0.5
212.07449	0.8
255.06393	0.4
259.07739	0.7
267.00021	0.4
270.08661	0.7
283.03290	0.7
283.05927	1.8
283.15128	0.4
287.05746	0.5
299.06168	2.8
301.06989	0.5
313.07028	1.2
337.07016	0.8
344.97903	0.7
357.18713	2.5
379.08273	0.7
433.14960	0.5
459.22043	0.9
475.15778	2.0
487.21771	1.2
502.33252	0.4
519.15277	6.1
519.24091	100.0
520.16949	0.6
520.24359	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	519.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01872	7.1
55.05493	1.4
57.03422	1.2
65.03931	2.8
67.05489	3.3
69.03398	2.5
70.58197	2.6
79.05487	4.3
81.03410	6.5
81.07037	2.6
83.01323	2.3
83.04964	4.5
85.02897	18.4
85.88795	1.0
91.05451	3.1
91.05833	0.8
93.03390	15.6
93.07023	2.2
94.75405	1.3
95.04961	3.7
95.08601	1.2
97.02894	10.7
103.05456	3.7
105.07026	2.8
107.04947	34.1
107.08551	1.5
109.02869	17.7
111.04415	9.7
119.04952	5.8
119.08594	1.5
121.02866	9.1
121.06464	6.8
123.04411	12.0
127.03875	2.3
129.07008	1.5
131.04933	8.7
133.02808	2.6
133.06398	1.6
135.04399	31.9
137.02306	4.5
137.05974	22.6
139.03911	11.3
141.01836	2.8
145.02800	2.2
147.04393	13.4
147.11673	1.5
149.02359	3.0
149.05974	4.9
151.03920	5.9
153.01772	2.3
155.03360	1.4
159.04427	7.0
161.02318	3.0
161.05980	1.5
163.03871	11.8
165.01826	26.1
167.03474	1.2
167.05502	1.7
175.03896	5.4
177.01797	26.0
177.05461	14.0
179.03342	2.2
181.04895	2.9
183.02884	16.2
187.03824	1.6
189.01808	5.7
191.03374	3.1
193.04909	2.0
195.02873	100.0
201.01895	2.7
203.03384	22.0
205.01277	2.2
205.04958	3.9
207.02873	48.8
208.14578	1.1
215.03366	7.1
217.04945	2.0
219.02878	7.3
221.04448	13.0
223.02335	4.0
225.03925	43.9
227.03380	4.9
231.02864	54.8
232.03664	1.4
233.04453	4.5
233.08012	8.4
235.05914	1.9
235.13103	1.4
237.03958	2.2
239.05559	1.1
243.02843	16.9
245.04378	7.1
249.03931	32.3
251.09053	2.1
254.92465	1.1
255.02895	4.7
257.04565	1.4
261.01324	2.0
261.03925	16.4
263.09155	5.7
273.03922	32.7
279.04977	1.3
287.09113	5.6
291.04959	25.1
295.05930	3.0
299.06097	2.8
301.06985	10.0
309.06100	6.3
313.07031	58.7
317.10120	7.8
325.07092	1.8
327.07019	1.2
329.09933	1.6
343.08127	35.3
347.11166	5.0
357.13165	2.8
365.12228	14.2
367.08084	65.5
368.08194	1.4
369.13239	2.6
379.08063	2.3
397.09149	50.9
399.14310	4.7
409.09174	23.2
421.52106	1.1
427.10214	38.2
435.14175	1.7
445.11252	77.0
463.12296	32.1
501.17197	3.6
501.28967	1.5
519.18390	10.4
519.28339	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	520.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47088	1.2
53.03932	5.3
55.01858	3.5
57.03427	6.8
61.02929	8.3
65.03923	1.9
67.29562	1.6
68.99740	2.0
69.03423	29.1
70.06583	4.6
71.04979	5.6
71.52702	2.4
72.08137	3.4
72.44326	1.3
73.02906	5.8
79.05474	2.9
80.04969	1.7
81.03407	31.9
84.08174	1.8
85.02895	54.2
86.09673	4.3
87.00816	17.3
87.04480	2.4
90.96241	1.3
91.03929	2.3
92.04990	5.2
93.52584	1.5
94.06534	1.5
95.04939	3.9
97.02885	16.9
99.04449	11.4
103.03940	4.7
105.01852	12.3
106.06544	23.6
108.04490	2.1
109.02870	25.6
109.05227	9.5
110.06029	100.0
111.04419	2.6
117.01843	2.8
120.04442	9.6
122.06005	25.7
127.03905	40.2
129.01805	5.4
131.04938	2.0
132.04456	2.0
134.05997	73.2
136.07565	6.1
145.04930	11.6
146.06007	13.1
147.02892	3.0
148.03856	2.4
148.07530	8.3
152.07048	38.8
159.02878	13.1
162.05530	4.3
163.03882	2.0
164.07095	4.4
167.05669	2.1
172.07578	7.6
176.07036	21.7
177.05444	2.1
188.06996	7.2
189.03891	1.4
190.08592	1.9
194.00253	1.8
200.07028	10.6
209.02667	5.1
218.08102	11.2
231.04874	7.1
236.09146	14.0
254.10217	34.5
254.12662	2.8
255.10666	1.6
272.11249	13.3
296.11319	3.6
299.06055	1.9
300.06213	1.8
322.09338	3.2
340.10187	14.3
343.91849	1.6
345.09659	3.4
351.02759	1.4
358.11276	66.8
358.15747	3.3
359.11624	1.7
382.11328	2.2
400.12427	7.5
475.72168	1.5
484.14520	2.5
502.15424	3.9
520.17126	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.2
55.05498	0.8
56.05034	1.4
58.06570	1.7
59.07350	0.3
60.08158	17.6
67.05502	2.6
69.07057	0.8
70.74620	0.6
70.92179	0.2
71.07365	7.9
79.05488	1.9
81.07049	2.0
83.08592	0.2
83.92581	0.2
84.08141	0.2
86.09697	51.6
87.10011	0.4
91.05479	1.0
93.07040	2.3
95.08605	1.5
96.17298	0.2
98.97791	0.3
98.98456	5.1
104.10732	100.0
105.07025	0.3
105.11060	0.7
107.08594	0.9
109.10146	0.4
119.08572	0.3
121.10119	0.7
124.99989	29.7
135.11676	0.3
139.66887	0.2
143.01042	0.4
163.01566	0.6
184.07323	98.9
185.07687	1.0
199.03755	0.3
199.75134	0.2
258.10971	1.2
317.95093	0.2
335.25790	0.5
441.23779	0.4
500.31299	7.8
501.31351	0.3
518.32373	22.0
519.32654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55301	2.0
53.03934	3.2
55.01854	8.5
55.05483	3.1
65.03933	3.6
67.05494	3.3
68.99774	2.3
70.42581	8.7
79.05459	6.6
81.03387	6.8
81.07016	3.3
83.04962	4.0
83.08604	2.8
85.02900	14.1
86.09661	2.0
91.05466	6.6
93.03397	14.0
95.04964	4.6
95.08609	3.3
97.02897	13.1
97.97953	2.1
103.05456	5.9
105.06995	4.3
107.04940	31.1
109.02859	16.8
111.00806	2.3
111.04421	11.8
119.04926	10.3
121.02859	9.2
121.06504	9.3
121.10093	2.2
123.04475	12.2
127.03951	3.0
131.04909	7.9
135.04408	31.5
137.02315	5.6
137.05978	22.3
139.03868	13.9
147.04350	15.6
149.02260	2.5
149.05983	4.8
151.03870	4.2
153.01808	4.2
159.04433	3.8
161.02293	5.4
163.03896	12.3
165.01816	30.9
167.05576	4.2
175.03938	5.1
177.01778	27.2
177.05443	14.8
179.03360	2.3
181.04913	3.4
183.02910	18.1
189.01836	5.0
191.03322	3.4
195.02863	100.0
201.01834	3.4
203.03369	19.9
205.04890	2.3
207.02872	54.6
215.03305	8.2
217.04897	5.0
219.02869	8.0
221.04420	13.2
223.02403	5.9
225.03925	40.9
227.03319	6.6
231.02869	54.2
233.04453	4.9
233.08060	7.4
235.13339	2.3
243.02834	19.6
245.04407	5.6
249.03940	29.1
255.02864	6.5
261.03909	19.8
263.09204	4.3
273.03922	37.5
287.09027	5.1
291.04956	35.5
293.64102	2.5
295.06229	3.0
299.06125	5.6
301.07059	11.8
309.06152	4.7
313.07013	60.7
317.10147	8.5
326.09302	2.0
329.09985	2.2
343.08093	48.7
347.11121	5.5
357.13376	5.2
364.43121	2.5
365.12228	13.6
367.03732	4.5
367.08081	64.9
369.13199	2.2
379.07904	2.6
397.09164	62.5
399.14389	6.7
409.09048	26.5
427.10135	39.6
445.11282	83.3
463.12222	41.2
501.17609	4.2
519.18121	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	517.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.98470	1.2
55.05501	12.8
57.03417	4.4
57.07054	3.3
65.03915	1.9
67.05499	29.6
68.06644	1.1
68.17002	1.2
69.07064	14.9
71.04983	1.7
79.05479	22.1
81.07041	36.3
83.04990	1.8
83.08598	8.4
85.06532	2.9
91.05463	19.9
93.07030	28.4
95.04960	1.9
95.08598	29.7
97.06514	4.1
97.10149	4.2
105.07014	24.4
107.08583	18.7
109.10133	13.0
117.07000	8.4
119.08575	24.6
121.10126	17.2
123.08126	1.5
123.11687	4.3
127.07597	2.0
129.07010	4.9
131.08565	17.3
133.10121	21.4
134.10423	2.2
135.11673	7.1
139.98694	1.3
143.08534	5.6
145.10100	14.9
147.11667	12.2
149.09601	2.7
149.13249	6.0
157.10127	5.3
159.11658	13.1
161.13275	7.2
163.14847	3.1
169.10101	2.7
171.10298	1.6
171.11584	6.2
173.13258	8.4
175.14796	4.2
183.11723	2.2
185.13290	4.1
187.14801	4.7
197.13231	2.9
199.14871	2.9
201.16374	2.1
213.14839	1.9
241.17979	3.2
255.77184	1.3
259.20547	3.5
273.22009	1.6
285.22156	1.3
287.23697	2.7
299.23666	1.9
301.25125	2.1
302.07639	1.4
313.25284	3.1
315.23355	1.4
316.70239	1.3
333.24335	1.5
361.27591	1.9
405.29984	1.7
407.33127	4.1
425.34061	15.3
443.35101	6.7
499.37643	19.7
517.38843	100.0
518.39233	3.7
527.23993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3882
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.66227	0.8
53.03935	2.3
55.01867	1.8
55.05502	14.0
57.03436	5.9
57.07056	2.7
65.03918	1.4
67.05495	30.6
69.03413	0.9
69.07059	12.9
70.23779	1.7
70.24160	1.1
70.81116	0.9
71.04967	1.9
71.08611	1.0
79.05482	20.6
81.07045	35.7
83.04979	2.0
83.08607	9.2
84.07310	1.0
85.06525	2.7
87.58906	0.9
91.05465	20.3
93.07028	29.4
95.04951	2.9
95.08593	29.2
97.06522	3.7
97.10152	3.2
99.08101	1.8
105.07014	25.0
107.08577	20.9
109.06503	1.8
109.10153	13.1
111.08046	1.7
117.06989	9.1
119.08564	24.5
121.06519	0.9
121.10123	14.3
123.08090	1.5
123.11666	4.5
127.07540	0.9
129.06998	4.4
131.08545	16.5
133.10109	16.9
135.11670	8.4
137.09550	1.1
143.08554	6.5
145.10097	17.2
147.11670	12.1
149.09636	1.5
149.13229	7.3
151.11137	1.1
155.08551	2.1
157.10120	7.2
159.11670	14.1
161.13213	7.2
163.11095	1.4
163.14810	2.9
169.10146	2.8
171.11649	6.5
173.13257	11.2
175.14824	4.1
177.12735	0.8
177.16367	1.3
183.11710	2.9
185.13191	4.8
187.14748	5.0
189.16417	3.0
197.13220	2.2
199.14818	2.7
201.16356	1.8
211.14746	2.0
213.16426	2.7
215.17909	1.4
217.15840	1.2
219.17485	1.6
225.16338	1.8
227.18022	1.2
233.19032	1.1
241.17862	2.7
243.21228	1.1
259.20505	4.4
261.22095	1.0
273.22107	1.5
285.22122	1.1
287.23721	2.3
289.21902	1.0
295.22775	1.3
299.23740	2.7
300.02686	0.9
301.25336	2.4
313.25201	1.6
317.24878	1.3
327.26727	1.2
333.24124	2.2
335.25558	1.1
336.42783	0.9
391.28180	1.5
405.30011	2.9
407.33047	4.0
419.31830	1.3
421.29855	1.2
425.34140	10.2
443.35339	5.0
461.36493	1.3
481.37042	1.7
499.37842	17.9
517.38824	100.0
518.39429	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.89758	0.8
53.03933	2.4
55.01860	2.1
55.05504	14.4
57.03434	6.0
57.07063	1.9
57.70719	1.0
61.97314	0.8
67.05497	31.3
69.03386	1.0
69.07063	12.3
71.04976	1.7
76.14043	1.0
79.05482	23.5
81.07049	36.7
81.07531	1.9
83.04979	1.5
83.08617	8.5
85.06518	2.1
91.05466	21.7
93.07030	28.9
94.07381	1.2
95.04936	2.3
95.07982	1.5
95.08596	30.2
97.06501	3.8
97.10156	3.5
99.08090	1.5
105.07020	24.9
107.08582	19.5
109.06496	1.3
109.10124	11.5
111.08110	1.8
117.07011	9.2
119.08565	21.9
121.10133	15.6
121.10952	1.7
123.08054	1.1
123.11699	4.4
129.06995	5.4
131.08563	17.1
133.10114	20.8
135.11671	8.8
137.09572	1.0
141.06960	1.5
141.42615	1.0
143.08554	5.5
145.10106	16.2
147.11667	12.4
149.09615	1.4
149.13197	8.0
155.08507	1.8
157.10115	6.6
159.11674	12.5
161.13243	8.1
163.14813	2.6
169.10141	3.0
171.11687	6.2
173.13260	9.3
175.14790	3.4
177.16270	1.1
183.11765	1.9
185.13217	5.3
185.21658	0.9
187.14798	6.3
189.16389	1.8
197.13239	2.3
199.13208	1.5
199.14819	3.3
200.07243	1.1
201.16475	2.2
209.13356	1.0
211.14836	1.3
213.16454	1.5
215.17831	1.2
225.16365	1.0
239.18063	1.2
241.17947	3.3
245.19069	1.6
249.18388	1.4
249.55612	1.0
257.18872	1.1
259.20566	2.8
261.22079	1.0
263.20068	1.2
271.20557	1.1
277.97699	0.9
287.23709	1.9
299.23752	1.7
301.25262	1.5
303.22919	1.1
313.25348	2.2
319.16696	1.1
319.22412	1.0
333.24313	2.2
347.26151	1.0
370.93942	1.1
391.28220	1.6
405.30081	1.4
407.28168	1.7
407.33115	2.9
419.31207	1.4
425.34085	12.5
443.35098	7.0
499.37759	17.4
500.38300	1.4
517.38843	100.0
518.39178	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02369	1.2
53.03944	1.6
55.01864	1.6
55.05503	13.4
57.03427	5.4
57.07065	2.1
57.29146	0.7
57.82978	0.6
59.04988	0.7
65.03926	1.5
67.05498	32.1
69.03414	1.0
69.07063	13.8
70.71886	2.4
71.04964	1.3
71.99281	0.6
75.04493	0.9
79.05486	24.1
81.07047	36.7
83.04959	1.3
83.08613	7.8
85.06535	1.4
91.05467	19.5
93.07034	30.1
95.04963	1.8
95.07981	1.5
95.08593	28.9
97.06532	2.6
97.10160	3.7
99.08058	0.8
103.05478	0.7
105.04569	1.0
105.07019	25.6
107.08585	21.0
109.06513	1.5
109.10149	12.6
111.08052	1.8
115.05420	1.1
117.07010	7.6
117.97686	0.6
119.08564	23.0
121.10136	14.9
123.08071	1.3
123.11678	4.5
125.09641	1.2
129.06993	3.3
131.08551	16.9
133.10117	16.9
135.08121	0.8
135.11670	11.1
137.09599	1.8
137.13213	1.2
140.42918	0.6
141.06934	1.2
143.08543	5.2
145.10103	17.9
147.11679	13.0
149.09659	0.9
149.13228	6.2
155.08536	2.2
157.10101	6.1
159.11671	13.3
161.13231	7.9
163.11200	1.3
163.14789	3.7
167.08717	0.7
169.10150	1.7
171.11652	5.3
173.13222	10.3
175.14764	3.6
177.12700	0.7
177.16418	1.2
181.10149	1.0
183.11681	2.8
185.13234	4.8
187.14780	4.6
189.16385	1.9
191.14325	1.1
195.11713	0.9
197.13266	2.1
199.14867	3.5
201.12648	1.0
201.16382	2.6
211.14806	1.3
213.14632	0.8
213.16382	2.6
215.18022	1.0
217.15796	0.8
219.17566	1.0
225.16466	1.2
227.18044	1.3
227.78925	0.8
233.19000	1.1
241.17659	3.4
245.19009	1.3
257.18994	0.8
259.20587	3.8
261.22031	1.1
263.20093	0.9
269.22833	0.7
271.20474	0.9
273.22156	1.4
285.22260	1.2
287.23727	1.9
289.21442	0.7
291.19427	0.8
299.23645	1.7
303.23172	0.8
305.21466	0.8
305.24725	1.3
313.25305	1.8
315.23184	0.8
317.24979	1.0
327.26913	1.0
329.24744	0.7
333.24167	1.5
355.26227	0.9
361.27295	0.8
367.25024	0.9
383.29556	0.8
391.28555	1.3
405.29977	2.1
407.28268	0.9
407.32977	3.5
419.31641	1.9
425.34085	12.4
443.35245	5.6
463.35657	0.8
481.36865	1.1
499.37790	19.0
500.38043	0.9
517.38849	100.0
518.39124	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	517.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
56.96543	2.6
67.05500	7.7
71.52996	4.4
74.18111	2.4
79.05496	4.4
81.03416	7.3
81.07044	5.1
85.02898	3.1
86.09712	3.7
91.05466	4.3
93.07017	3.7
95.04973	4.6
95.08611	6.1
97.02858	3.2
97.08666	2.9
101.00451	2.6
105.07029	3.8
107.04921	4.9
107.08577	3.9
109.02850	4.1
117.03313	3.8
119.04916	4.9
119.08567	4.4
121.02821	4.3
123.04399	3.2
126.89447	2.8
127.03919	3.0
133.06535	2.9
135.04401	6.2
135.11703	2.8
137.02304	7.0
137.05894	3.3
139.03896	4.9
145.02840	11.8
145.10092	3.2
147.04408	9.1
147.11650	2.7
160.09526	2.7
163.03905	4.0
163.11145	3.6
163.81554	2.6
177.05476	13.4
178.05772	7.4
179.05983	4.9
191.07080	2.8
195.02878	15.0
203.03400	4.4
217.04898	2.9
227.12669	3.8
284.06595	3.7
299.05475	18.9
311.05444	100.0
312.06000	4.2
313.06982	5.4
323.05432	4.4
325.07013	6.0
337.07050	10.8
341.06595	33.2
351.08493	9.9
355.11673	7.6
365.06644	18.7
395.07352	9.8
397.12582	9.4
407.07590	11.8
425.08630	21.4
443.09653	28.0
461.10654	4.4
499.15683	12.3
517.10516	3.6
517.17017	25.1
517.28040	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	517.3882
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03930	2.7
55.01863	1.3
55.05265	1.4
55.05505	15.1
57.03417	4.1
57.07063	3.2
63.35829	0.7
65.03902	1.3
67.05128	1.7
67.05495	35.0
69.07052	16.1
69.39931	4.5
69.40360	3.2
71.04994	1.2
76.43182	1.0
79.05014	1.2
79.05479	26.1
81.07041	38.1
83.04972	2.6
83.08608	10.2
85.06526	1.9
91.05463	20.7
93.07027	33.7
95.04948	4.1
95.08593	30.3
97.06510	2.2
97.10143	4.7
99.08080	1.8
103.05504	1.1
105.07009	24.4
107.08576	22.3
109.06523	0.9
109.10143	14.6
111.08089	2.3
111.11685	1.0
117.07005	10.1
119.08559	24.6
121.10126	17.9
123.08045	1.7
123.11694	4.7
125.09590	1.4
127.85746	0.9
129.06961	3.4
131.08551	17.0
133.10106	21.3
135.08047	1.3
135.11653	10.4
137.13234	0.8
141.06953	1.1
143.08533	6.0
145.10098	16.4
147.11655	13.9
149.09575	1.5
149.13251	6.6
155.08556	1.6
157.10104	6.1
159.11670	13.3
161.13232	9.6
163.11165	1.9
163.14795	2.6
169.10077	2.3
171.11630	6.6
173.13220	11.5
175.14812	4.1
177.16388	1.4
183.11684	3.3
184.50842	0.9
185.13263	4.8
187.14757	6.1
189.16418	1.7
191.14388	1.0
197.13237	2.8
199.14839	3.6
201.16377	4.2
205.15836	1.2
213.14726	1.5
213.16478	2.0
215.17976	1.5
217.15857	1.0
219.17413	1.5
225.16315	1.6
227.17969	1.7
229.19246	0.9
241.17877	2.4
241.20009	1.2
246.22249	0.9
247.20645	0.9
259.20581	4.3
271.20651	1.6
273.22095	1.6
277.21765	1.1
287.23578	2.2
299.23865	1.6
313.25247	2.6
317.24915	1.1
319.22766	0.9
327.26819	1.5
331.26416	1.3
333.24005	1.6
391.28418	1.0
405.29742	2.7
407.32904	4.3
425.34152	14.8
443.35260	7.1
447.31250	1.2
499.37695	20.4
517.38824	100.0
518.39050	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	517.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38038	0.9
54.64917	1.0
55.01869	4.2
55.05486	2.0
57.03420	3.4
61.02907	1.5
67.05484	3.1
68.99786	1.7
69.03431	3.9
69.07049	1.3
70.06577	2.3
70.79084	1.6
70.79426	2.2
72.08122	1.5
76.93356	1.1
79.05487	9.9
81.03407	6.4
81.07040	10.9
83.01353	2.2
85.02905	13.4
86.09718	2.6
89.03858	1.3
91.05464	6.9
93.03392	1.9
93.07026	3.4
95.01334	1.8
95.04955	4.0
95.08575	2.7
97.02889	3.8
103.03936	1.9
103.05446	1.9
105.03394	1.4
105.07008	5.8
107.01302	1.3
107.04947	16.5
107.08565	2.8
109.02859	6.8
109.06499	14.3
109.10145	2.0
111.00755	2.3
115.05434	3.1
117.03358	2.3
117.07018	6.0
119.04918	2.7
119.08611	6.2
119.09344	1.1
120.08083	1.2
121.02837	5.2
121.06499	2.0
121.10120	1.5
123.04453	5.3
123.08067	1.1
127.03890	1.6
128.06192	3.1
129.06947	5.4
131.04883	2.5
131.08516	5.2
133.06453	4.4
133.10118	2.6
135.04396	13.9
135.08043	19.8
137.02324	3.6
137.05969	3.1
137.08478	1.0
137.09537	1.2
141.07021	1.9
142.07744	1.2
143.08549	5.7
145.02849	5.0
145.06476	5.6
146.03180	2.1
146.07251	1.3
147.04379	3.8
147.08035	9.2
147.11646	1.2
149.02232	2.1
149.05931	4.0
151.03896	2.1
153.01758	2.0
153.05460	7.5
155.08543	1.4
157.06447	1.4
157.10112	2.1
159.04398	3.0
159.08032	3.7
161.02299	1.8
161.06015	2.6
161.09604	6.3
163.03902	13.0
163.07545	2.3
165.09090	1.3
167.83475	1.1
171.08083	2.2
173.06004	3.2
173.09581	1.4
175.00209	1.4
175.03847	1.8
175.07565	3.6
175.11081	1.7
177.01794	3.7
177.05464	11.9
178.05762	2.5
185.05894	1.4
185.09663	1.2
187.03908	2.5
187.07492	3.8
189.01811	17.1
189.05472	9.7
189.09079	8.3
191.03369	4.2
191.06967	2.5
195.02914	2.7
195.06467	2.2
199.03819	1.8
200.04684	1.3
201.05470	4.0
201.09164	4.0
203.03386	3.0
207.02863	11.5
207.06439	1.4
209.04405	1.9
211.07547	1.5
213.05463	2.7
213.09093	1.6
214.06230	2.0
215.03409	2.4
215.07034	5.3
217.01117	1.2
217.08612	5.1
219.03055	5.5
219.06473	14.9
229.04939	4.0
229.08589	4.2
231.06494	59.8
231.10078	2.1
233.08122	1.4
235.07793	1.3
239.07077	1.5
241.08548	1.4
243.06520	9.3
245.08063	2.2
245.31947	1.5
247.05997	4.6
249.07541	29.0
255.02765	2.2
255.06580	1.6
255.39441	1.1
257.08096	16.5
259.05954	1.8
261.07553	100.0
269.08005	2.8
271.09634	6.6
273.07571	2.9
275.09152	2.0
276.15720	1.3
281.08246	1.4
282.13022	1.4
285.07532	85.6
286.07974	1.4
297.07578	13.9
299.05585	2.5
299.08841	2.3
303.08716	2.8
309.07602	2.9
311.05533	2.5
311.08954	2.3
315.08551	42.6
325.10898	1.8
327.08575	26.6
341.06448	1.6
345.09665	31.8
355.11661	8.9
363.10703	48.0
367.07135	1.7
367.11737	29.4
379.11688	5.3
381.12045	1.6
391.11276	1.4
397.12732	21.5
421.12817	19.5
433.12891	8.6
443.09708	1.9
445.12906	2.5
451.13974	1.6
463.13739	4.6
481.14786	8.1
499.15897	6.2
517.16711	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25411	5.1
53.03928	6.4
55.01863	8.8
55.05486	21.9
57.03417	10.8
57.07101	6.4
66.99251	5.7
67.05499	92.9
69.03401	26.6
69.07068	32.5
71.04969	7.7
71.52747	9.6
72.35161	6.1
79.05481	63.3
81.03393	13.8
81.07051	100.0
83.04969	8.4
83.08619	15.3
85.02892	20.1
91.05474	52.6
93.07023	69.6
95.04947	17.5
95.08601	62.6
97.02860	15.2
97.06511	12.4
97.10150	6.5
99.04416	7.1
105.07034	42.3
107.04942	10.9
107.08586	46.9
109.06480	17.0
109.10168	42.7
111.08109	7.7
117.07006	17.2
119.08587	40.2
121.10107	44.9
123.11713	14.9
127.51427	5.6
129.06982	9.8
131.08548	29.9
133.10112	28.7
135.08095	8.7
135.11662	26.0
143.08522	15.5
145.06444	6.1
145.10086	29.1
147.04355	11.5
147.08005	6.6
147.11665	14.6
149.13194	22.0
155.08450	7.4
157.10106	11.1
159.11678	25.9
161.13205	17.5
163.07709	5.9
163.14799	12.1
169.10130	7.0
171.11609	7.0
173.13249	19.5
177.05435	11.8
183.11696	8.3
187.14774	10.7
209.12831	6.1
219.13844	7.0
242.97800	7.2
243.21094	16.7
261.22064	39.3
273.21960	7.0
301.21655	6.8
303.23132	13.9
306.42535	6.5
327.23148	7.7
335.25604	6.1
353.26749	22.1
369.24261	11.9
405.26660	7.7
419.27802	8.6
422.98260	6.3
423.31696	5.9
479.29471	8.9
497.30621	10.7
515.36798	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	517.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.3
57.03421	0.4
65.03897	0.5
68.99780	0.4
69.03394	0.4
70.04317	0.3
70.58861	1.1
81.03380	1.0
85.02898	1.3
91.05439	0.3
93.03377	1.5
97.02811	0.3
107.04941	2.2
109.02863	2.9
111.04404	0.8
117.03352	0.4
120.10191	0.3
121.02826	0.8
121.06441	1.0
127.03778	0.3
131.04910	0.4
133.02815	0.8
133.06477	0.3
135.03427	0.6
135.04399	8.0
137.02325	8.8
139.03850	0.5
141.01801	0.5
147.04376	0.9
151.03867	0.6
152.68622	0.3
159.04401	0.7
161.02298	1.0
161.06026	0.4
163.03825	0.5
165.01884	1.3
167.03427	0.3
168.04117	0.5
171.04448	0.3
175.03867	1.0
177.01810	5.4
177.05435	1.1
179.03381	2.6
187.03931	0.5
189.01846	2.4
189.05440	1.0
191.03351	1.0
193.04887	0.4
195.02867	15.5
197.04422	0.8
197.19096	0.3
199.03816	0.5
201.05411	0.4
203.03365	6.9
207.02856	4.3
209.04391	0.4
215.03299	0.3
217.04926	3.4
221.04414	1.9
225.03859	0.8
227.03314	0.6
231.02817	0.6
235.06044	0.9
245.04298	0.6
255.02878	0.5
255.06416	0.4
269.04410	0.3
270.05252	0.8
273.03928	0.7
283.05908	2.3
284.06766	4.1
285.07581	0.4
295.05841	1.7
298.04602	1.4
299.05493	3.0
308.06711	0.7
309.07373	0.6
311.05453	100.0
312.06097	4.8
313.06982	4.7
323.05426	3.6
324.06161	0.4
325.03445	0.5
325.07013	4.2
336.06256	1.5
337.07025	11.1
339.04855	0.4
341.06512	47.8
342.06674	1.1
349.07208	0.6
350.07520	0.3
351.04886	0.6
351.08569	11.1
353.06845	1.4
355.11768	0.6
361.06967	0.5
363.08765	0.7
365.06516	19.7
371.07275	0.5
377.06439	2.3
379.08109	1.6
389.06610	0.8
395.07568	12.4
396.07855	0.4
397.12793	9.7
407.07571	14.9
408.07800	0.4
425.08600	26.3
426.09082	0.8
427.13800	0.8
443.09689	40.1
444.10086	1.2
451.13696	0.4
461.10672	4.9
472.11319	0.4
481.15250	1.6
499.15891	7.7
517.16974	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.2
55.01875	3.8
55.05508	14.5
57.03420	13.6
57.07071	3.4
61.02926	5.7
65.03948	3.4
67.05497	71.0
69.03418	11.4
69.07059	18.5
70.09594	6.1
70.10004	10.8
71.05004	4.1
73.02882	5.6
79.05482	47.6
81.03401	10.1
81.07051	100.0
83.04989	7.4
83.08603	10.0
85.02892	13.0
85.06519	4.7
90.22880	2.8
91.05473	32.6
93.07037	60.8
95.04945	14.3
95.08595	65.5
96.06755	3.9
97.02875	7.0
97.06504	7.7
97.10117	3.5
97.72995	2.7
98.85067	2.7
99.08090	6.4
103.03918	5.1
103.18678	3.0
105.07018	30.0
107.04959	3.5
107.08591	37.2
109.06509	9.9
109.10144	35.8
111.04459	3.3
111.08077	4.5
117.07008	10.4
119.08566	24.3
121.06480	3.8
121.10144	27.6
123.04335	3.1
123.08069	3.0
123.11698	12.6
125.09627	3.4
127.03874	4.2
129.07037	8.2
131.08542	22.9
133.10147	22.2
135.08078	6.9
135.11664	21.3
137.09619	4.2
137.13298	3.4
143.08594	6.6
145.10109	16.4
147.04408	3.8
147.08081	3.4
147.11642	15.2
148.01228	2.6
149.12190	3.3
149.13202	16.2
157.10146	6.5
159.11676	18.4
161.13268	12.4
163.14816	11.1
171.11588	4.9
173.13243	19.5
175.14767	4.8
177.16336	4.6
187.14833	10.7
243.21083	14.4
261.22134	42.0
303.23215	8.1
317.24646	5.1
333.23813	3.0
335.25714	12.4
335.29431	3.6
337.11908	3.0
345.24088	5.8
353.26984	17.8
369.24545	7.0
405.26230	4.5
419.27783	9.2
427.58322	3.5
461.28979	5.5
497.31030	8.9
515.26276	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	3.3
65.03938	1.5
65.24591	1.1
66.01736	1.1
67.05481	2.7
68.87601	1.1
68.99782	1.8
70.11080	5.8
71.68686	1.2
73.02924	1.3
74.61871	1.2
79.05473	4.6
81.03394	4.3
85.02873	4.8
91.05452	2.7
93.03368	1.8
93.07056	1.7
95.04952	1.4
97.02879	7.7
100.11256	1.4
103.05446	1.5
104.99643	1.3
105.03378	1.6
107.04204	2.3
107.04939	46.7
109.02842	7.7
111.04429	5.0
113.05995	2.6
119.04930	6.4
121.02812	4.2
121.06483	4.0
123.04419	56.4
131.04924	3.3
133.02829	2.1
135.03407	2.9
135.04395	46.2
137.02328	3.1
139.03879	11.3
139.35136	1.5
145.02788	1.6
145.08501	1.4
147.04384	11.6
149.02316	2.2
149.05960	7.8
151.03889	12.2
153.05423	2.5
159.04419	3.8
161.02298	4.0
161.05954	4.1
163.03900	6.0
165.01779	9.7
173.05968	1.6
173.13417	1.4
175.03877	7.3
177.01819	12.3
177.05470	18.7
179.03372	3.2
181.04919	2.6
182.15436	1.3
183.02893	4.0
187.03882	2.9
189.01787	3.9
189.05392	3.0
191.03345	5.4
191.94246	1.8
193.04970	1.9
195.02834	23.7
201.05397	3.4
203.03366	27.2
205.04935	45.0
207.02867	16.1
215.03351	2.3
217.05019	8.0
219.02847	5.7
219.06422	3.5
221.01003	1.7
221.04446	13.9
227.03282	2.7
229.01331	1.8
229.05003	4.1
231.02853	100.0
233.04349	2.6
233.08046	9.0
237.03462	1.6
243.02866	5.9
245.04362	8.7
247.05901	8.2
249.03902	42.7
250.28427	1.5
257.04395	4.1
261.03934	15.5
265.07129	3.0
267.06531	2.2
273.03882	13.5
281.07886	1.8
283.05945	10.7
287.09113	23.9
291.04819	9.1
295.05765	1.8
299.05557	7.5
309.06390	2.6
311.05405	33.4
317.06433	4.0
317.10251	6.3
319.05994	3.2
323.05490	1.8
329.06494	12.2
329.10306	3.2
337.06888	7.7
337.10699	3.4
341.06345	1.8
347.11035	4.6
349.68231	1.7
355.11679	3.4
359.07458	1.8
365.06662	8.8
365.12250	38.8
383.07562	99.4
393.13693	1.6
395.07611	8.2
397.08954	1.7
407.07346	4.6
413.08636	29.7
425.08752	14.5
439.14078	1.5
443.09741	24.4
451.14282	1.8
461.10757	90.3
462.11096	2.2
499.15808	4.0
517.17181	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
55.01864	1.6
57.03411	0.5
61.02904	1.2
67.05491	0.9
68.99786	0.4
69.03421	3.0
69.07077	0.4
70.06576	0.3
70.42573	1.3
71.04972	0.6
71.18639	0.3
73.02896	0.5
79.05495	0.7
81.03426	2.1
81.07037	0.7
85.02428	0.6
85.02896	6.2
89.03913	0.5
91.03932	0.7
91.05491	0.5
93.07001	0.9
95.04952	0.6
97.02885	3.3
99.04438	0.7
105.07014	0.5
107.04932	2.8
109.02862	1.6
113.02381	0.4
117.03374	0.6
119.04923	0.4
120.15963	0.3
121.02840	0.4
126.79433	0.4
127.03870	1.7
135.04401	1.6
137.02336	3.4
137.05934	0.7
141.01802	4.5
145.02791	0.5
145.04903	0.8
147.04395	1.0
161.05998	0.4
163.03853	0.7
165.01834	14.8
173.09583	0.3
177.05481	1.0
183.02875	10.2
203.03346	0.7
207.02824	0.6
215.07089	0.4
217.05072	0.5
219.06635	0.5
219.58507	0.4
243.06487	0.6
253.04965	1.4
271.05951	0.8
273.03683	0.4
278.12695	0.3
281.04501	0.7
283.05969	0.4
295.05960	0.6
299.05478	100.0
300.05798	1.7
311.05429	3.2
337.06921	1.0
337.10654	1.7
341.06631	1.6
351.08728	0.8
355.11725	31.7
356.11975	0.7
365.06583	0.9
367.11743	0.9
377.06390	0.7
379.11783	0.7
395.07288	0.4
397.12576	0.6
411.14258	0.6
421.12668	1.4
425.08401	0.5
451.14032	0.7
463.13406	0.5
481.14792	1.0
499.15799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01853	2.8
55.05508	24.0
57.03419	11.9
57.07074	5.2
61.02917	3.4
65.03922	5.1
65.79365	2.3
67.05498	95.6
69.03406	11.7
69.07066	21.8
69.81781	10.9
71.04971	10.1
73.02898	3.6
76.51112	3.0
79.05486	72.0
81.03405	8.4
81.07046	100.0
83.04958	4.5
83.08602	10.6
85.02887	10.0
85.06529	3.3
91.05476	41.7
93.07037	75.8
95.04961	10.6
95.08598	82.6
97.02862	4.2
97.06514	6.9
97.10149	5.4
98.21569	3.6
99.08070	4.3
103.03912	3.8
105.06397	4.0
105.07037	38.2
107.04977	4.3
107.08579	49.3
107.37335	2.7
109.06493	5.5
109.10152	42.8
113.09644	2.9
117.07021	17.2
119.08587	31.5
121.10142	40.7
123.11682	22.1
127.03922	4.8
129.06990	6.6
131.08554	32.2
133.10092	20.6
135.08037	5.0
135.11679	35.1
136.13826	3.0
137.09589	3.5
137.13217	5.6
139.11168	2.9
143.08553	6.8
145.10074	23.5
147.11650	16.9
149.09694	3.2
149.13237	23.7
151.11176	4.3
155.08575	3.5
157.10126	4.5
159.11650	19.9
161.13223	15.9
163.11237	3.4
163.14813	14.8
171.11638	4.0
173.13239	19.4
175.14871	5.6
177.12749	3.8
177.16275	6.1
182.14424	3.3
185.13275	4.6
187.14813	11.1
201.12685	3.3
201.16315	7.0
205.12115	3.2
205.15872	4.1
233.22498	3.4
243.21077	23.8
259.20639	3.6
261.22107	92.7
279.23309	6.6
297.07651	4.8
301.21616	4.0
303.23154	4.1
335.25854	14.9
345.24057	4.4
353.26868	21.3
369.24268	8.8
387.25397	4.9
497.31589	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01870	3.1
55.05507	18.0
57.03430	7.8
57.07069	3.4
61.02929	7.2
65.03955	3.5
67.05502	97.2
69.03417	10.3
69.07071	18.1
71.04978	4.0
73.02891	3.7
79.05486	55.7
81.03415	5.4
81.07052	100.0
83.04974	3.8
83.08633	12.4
85.02906	7.0
85.06595	2.5
91.03955	3.0
91.05470	37.4
93.07041	73.8
95.04960	10.9
95.08604	76.4
97.02883	5.7
97.06499	5.6
97.10147	5.9
105.07031	28.4
107.08588	44.2
109.06509	6.6
109.10146	34.7
111.08015	3.3
111.45420	2.9
113.09637	3.3
117.06999	14.3
119.08591	27.5
121.06494	2.8
121.10139	38.2
121.62547	2.3
123.08061	6.0
123.11705	17.4
129.07117	3.9
131.08566	28.1
133.06444	3.3
133.10147	18.8
135.08096	2.6
135.11685	33.3
135.82568	2.4
137.09595	2.8
137.13261	5.7
141.69101	2.2
143.08534	5.5
145.10150	16.4
147.11687	16.0
149.13229	20.6
157.10159	3.3
159.11658	18.7
161.13248	10.6
163.11171	3.1
163.14786	12.7
165.12730	4.2
171.11737	5.8
173.13263	13.9
175.14850	6.7
177.12706	4.9
177.16399	3.5
183.20528	2.7
187.14867	8.5
189.16461	2.9
191.14249	3.3
201.16374	4.4
205.15788	2.9
215.17952	2.8
243.21095	20.2
261.22125	69.0
279.23285	4.0
303.23135	5.0
330.61084	2.8
335.25836	19.9
345.24112	3.3
353.26831	16.6
387.24991	5.0
405.26318	3.6
419.28027	4.9
443.27997	4.8
497.30881	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	515.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.99453	0.1
56.92632	0.1
63.02380	0.6
67.01856	2.1
69.76382	1.0
71.04987	0.4
72.68633	0.1
74.19729	0.2
78.04719	0.2
81.03408	1.7
85.02905	0.2
89.03902	6.7
91.05465	0.6
95.04984	0.2
97.02898	0.2
99.04450	0.6
103.05447	0.2
106.04183	0.5
109.02863	4.7
111.04417	0.2
117.03362	19.6
118.03703	0.2
119.04927	0.2
121.06477	0.2
124.05204	0.2
127.03893	4.6
131.04900	0.2
134.03571	1.3
135.04396	1.3
145.02821	49.8
146.03094	0.6
147.04375	0.5
149.05954	6.8
151.03883	0.2
158.05991	0.4
162.03108	0.2
163.03894	0.5
177.05440	100.0
178.05803	1.8
179.03371	0.1
186.05450	1.3
189.05458	0.2
195.06432	0.2
215.03488	0.2
215.07045	0.4
230.74223	0.2
243.06584	0.7
257.04266	0.2
259.09573	0.3
266.05444	0.2
285.03851	0.4
285.07510	1.3
303.08578	8.6
321.14645	0.1
377.06784	0.2
395.07571	1.8
515.14294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
63.02374	0.4
63.89872	0.2
64.42518	0.2
66.67161	0.2
67.01863	2.2
69.03427	0.2
71.04979	0.4
78.04706	0.3
79.05477	0.4
81.03412	1.5
81.07046	0.3
85.02885	0.3
89.03913	6.3
91.05466	0.5
93.07040	0.2
98.20764	0.5
99.04484	0.5
106.04159	0.3
109.02870	4.6
117.03368	20.5
118.03701	0.3
119.04929	0.3
124.05231	0.3
127.03900	4.7
134.03630	1.4
135.04388	1.5
145.02832	50.8
146.03181	0.9
147.04382	0.4
149.05965	6.9
158.06041	0.2
162.03133	0.3
163.03871	0.6
175.38942	0.2
177.05452	100.0
178.05782	1.2
180.30666	0.2
186.05453	1.2
191.06985	0.2
194.05644	0.2
195.06462	0.3
215.06902	0.3
221.04396	0.2
243.06438	0.5
257.08041	0.2
259.09561	0.2
263.42081	0.2
285.07535	1.3
303.08600	7.6
353.09647	0.2
511.39621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85968	0.2
53.03941	0.7
62.01585	0.2
63.02359	0.4
64.38352	0.2
67.01859	2.1
67.05490	0.3
67.97808	0.2
69.03419	0.6
71.02469	0.2
71.02783	0.3
71.04977	0.4
81.03406	1.9
81.07071	0.4
85.02905	0.8
89.03903	6.4
91.05473	0.8
93.07046	0.5
95.04967	0.5
97.02869	0.4
99.04456	0.4
103.05489	0.3
105.07025	0.4
106.04202	0.3
107.04960	0.3
109.02872	5.9
109.10158	0.3
110.07171	0.2
117.03368	18.7
119.04913	0.3
119.08571	0.4
121.06424	0.3
121.10131	0.3
127.03906	4.3
134.03578	1.3
135.04417	1.5
135.07997	0.4
137.05991	0.6
145.02832	48.2
146.03145	0.6
147.04398	1.0
149.05966	7.0
151.03876	0.3
158.05952	0.3
163.03868	0.9
177.05452	100.0
178.05829	1.7
186.05499	2.0
193.04904	0.3
211.05936	0.4
215.07076	0.4
243.06531	0.5
260.04202	0.2
285.07547	1.1
299.05502	0.3
303.08591	9.3
311.09094	0.3
353.10120	1.9
379.07394	0.2
515.14929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.82166	0.2
56.02789	0.2
60.62703	0.2
63.02372	0.4
66.56454	0.2
67.01864	2.0
70.65604	0.4
70.65980	0.4
71.04996	0.4
78.04711	0.2
79.05495	0.3
81.03406	1.4
85.02915	0.4
89.03909	6.6
91.05457	0.4
92.49700	0.2
95.04953	0.2
97.02879	0.4
99.04410	0.2
103.05457	0.4
106.04149	0.4
109.02861	4.4
117.03368	18.5
118.03685	0.3
124.05270	0.2
127.03902	4.4
129.04506	0.2
134.03572	1.3
135.04416	1.2
145.02829	47.6
146.03169	0.7
147.04393	0.4
147.47742	0.2
149.05960	6.7
158.06094	0.2
158.90254	0.2
162.03166	0.3
163.03893	0.6
177.05449	100.0
178.05800	1.6
186.05452	1.6
195.06342	0.3
233.04375	0.2
243.06418	0.4
257.07758	0.2
285.07480	1.2
295.06104	0.2
303.08618	8.7
353.10089	2.0
353.23032	0.2
515.15295	0.4
515.27716	0.7
540.27521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03926	0.6
53.76147	0.2
55.01858	0.8
55.05498	1.4
57.03421	1.1
61.16951	0.3
65.03912	1.4
67.05499	5.9
69.03395	0.3
69.07050	1.2
70.30423	0.8
71.04973	0.3
77.03912	0.3
79.05487	5.2
81.07047	5.1
83.04971	0.2
83.08599	0.5
85.06492	0.3
87.69524	0.2
91.05467	12.3
93.07034	4.6
95.04951	0.8
95.08585	2.9
97.06503	0.3
99.08096	0.3
101.07894	0.2
105.07029	2.8
107.04961	0.6
107.08577	2.7
107.12778	0.2
109.10142	0.7
111.08072	0.3
116.35549	0.2
117.07001	1.0
119.04925	20.5
119.08575	2.0
121.06501	0.3
121.10116	1.7
122.64707	0.2
129.07005	0.7
131.08574	1.5
133.10097	1.4
135.11685	0.7
143.08549	0.5
145.02884	0.6
145.10081	1.2
147.04388	100.0
147.11687	0.8
148.04758	1.0
149.13258	0.6
157.10107	0.4
159.11661	0.6
161.13275	0.3
163.11139	0.5
165.05476	1.1
171.11632	0.4
177.05367	1.2
185.13281	0.5
199.14810	0.3
221.08066	0.9
241.19318	0.4
259.20477	0.6
276.56808	0.3
290.00443	0.2
351.25000	0.6
412.67490	0.3
423.08536	0.3
423.32178	0.3
497.29065	1.7
515.30865	0.4
515.37152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03712	0.5
53.03942	6.0
53.49151	0.4
55.01859	1.4
57.03422	1.6
61.38654	0.4
67.05490	1.4
68.99770	0.5
69.03422	6.7
69.07054	0.5
70.06586	2.3
70.86094	0.7
70.86441	0.6
71.04961	0.8
72.08151	0.6
73.02890	0.7
79.05479	0.7
81.03412	28.9
81.07080	0.5
84.08141	0.5
85.02894	3.3
86.09697	3.7
89.03868	0.5
91.05443	1.1
95.04959	3.0
97.02884	9.2
99.00802	1.0
99.04433	4.5
99.44171	0.4
105.03394	0.5
107.04962	2.3
107.08591	0.6
109.02869	100.0
110.03194	1.0
110.07155	0.4
117.03350	1.1
119.04941	0.8
120.08124	0.8
121.06491	0.8
123.04451	2.2
127.03905	11.7
133.02827	0.9
133.10158	0.6
137.05968	6.7
141.30963	0.5
145.02875	2.1
145.04965	2.5
149.05974	1.7
151.03911	4.1
151.07570	0.9
152.06154	0.5
153.05440	0.8
153.06960	0.8
157.10249	0.4
161.02310	0.7
163.03961	0.6
165.05479	1.4
169.04955	0.4
169.06458	0.6
175.07619	0.6
177.05441	4.8
178.02547	0.4
179.03424	0.5
181.06500	1.8
193.04951	14.4
194.05682	1.7
195.06470	0.5
195.08107	0.5
197.05977	1.4
198.06804	0.6
199.18098	0.8
207.04436	1.0
209.05920	0.9
209.11819	0.5
211.05919	7.3
211.07539	0.9
213.09106	1.1
219.06462	0.6
221.05959	0.6
227.07056	0.6
237.08980	0.6
239.07011	1.2
241.08621	1.4
243.04854	13.4
245.08083	1.1
249.11232	1.0
250.11536	0.5
253.08611	0.5
255.10162	0.4
257.04156	0.4
257.08124	1.2
258.08917	2.7
265.08951	0.7
267.12317	3.4
271.09805	0.4
272.10428	9.6
273.11157	2.9
278.05667	0.4
285.11215	1.0
286.17383	0.8
293.08112	1.4
297.11188	1.1
324.09851	0.5
325.10635	2.2
353.10144	3.2
380.12354	1.3
381.13388	1.1
471.21851	0.6
515.15045	2.5
515.21637	0.7
541.54376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.3
55.01868	3.4
55.05494	6.4
57.03432	4.3
63.44887	2.6
66.82075	3.0
67.05505	12.6
69.03407	5.7
69.07041	6.4
70.06578	30.3
71.52950	2.6
79.05476	8.6
81.03410	100.0
81.07039	11.3
82.03750	3.5
83.04935	3.5
83.08611	19.9
84.04470	4.1
84.08115	4.8
85.02882	10.3
86.09698	38.5
91.05461	7.4
93.07032	8.7
95.04951	25.9
95.08639	3.3
97.02875	8.7
97.06504	3.4
105.01794	2.4
105.07015	10.4
107.04908	8.0
107.08579	4.5
109.02863	41.0
109.06491	4.0
110.03215	6.1
110.07240	2.5
111.08054	7.3
119.04929	4.3
119.08546	10.7
120.08067	3.2
121.06522	3.8
121.10123	6.8
127.03907	5.4
129.06955	9.1
131.08539	7.5
133.06436	4.6
133.10132	6.8
145.02805	10.5
145.10081	4.1
147.04410	3.9
147.11629	7.6
149.09605	4.7
151.03809	4.7
157.10089	9.9
163.03862	5.4
165.12624	2.6
167.07104	2.9
175.11140	14.2
177.05437	22.1
189.12691	3.7
193.12227	64.9
195.06473	4.4
197.04391	5.8
199.17995	8.7
201.05330	2.7
211.13243	5.6
213.23975	2.6
228.08931	2.7
230.15318	3.2
235.07431	4.0
248.04514	3.0
252.29944	2.9
263.06836	3.1
264.07355	6.1
265.10666	6.9
266.11044	9.7
267.15848	37.0
285.16925	89.6
286.17465	4.3
309.16800	5.0
323.09073	11.8
324.09464	28.8
341.09750	7.2
450.12512	5.6
514.15601	12.0
514.22955	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	515.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
63.02372	0.5
67.01862	2.2
68.81696	0.2
71.01404	0.5
78.04706	0.4
81.03409	1.7
89.03907	6.9
91.05479	0.6
93.07069	0.2
99.04494	0.6
106.04144	0.3
109.02873	4.6
117.03370	20.3
127.03911	4.0
134.03604	1.2
135.04424	1.5
136.35245	0.2
139.11185	0.3
145.02831	50.1
146.03157	0.7
149.05968	6.6
153.12784	0.3
163.03909	0.6
177.05452	100.0
178.05746	1.3
186.05461	1.1
215.06999	0.3
229.08789	0.2
243.06447	0.6
257.07892	0.3
261.52267	0.2
285.07495	1.6
303.05106	0.4
303.08575	8.0
421.87427	0.2
479.69073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.4
57.06647	2.1
57.07054	4.2
58.68470	1.9
65.03929	2.9
65.61885	2.0
67.05498	40.1
69.07047	10.6
71.08623	2.3
79.05486	31.0
81.07042	29.7
83.08602	4.1
88.07564	2.5
91.05469	91.8
93.07033	40.4
95.04945	4.4
95.08601	20.3
96.08987	2.3
97.06482	2.5
97.10114	2.5
105.07012	44.5
107.08578	20.2
109.10155	7.0
117.06991	8.9
119.08569	13.8
119.49421	2.1
119.94907	2.0
121.10109	11.9
128.06166	4.6
129.06956	4.4
131.08539	13.9
133.10110	93.9
135.11665	11.6
141.06987	4.7
143.08521	11.5
145.10117	8.4
147.11691	6.2
149.09630	3.4
149.13225	3.3
151.11121	4.5
155.08603	4.2
157.10112	5.5
159.11685	6.8
161.09595	18.3
163.11140	3.9
169.10077	8.3
171.11629	3.5
173.13132	3.8
181.10127	2.6
183.11644	5.7
185.13239	4.2
187.14938	3.1
195.11821	3.9
197.13307	3.1
209.13330	3.3
211.14859	3.7
223.14772	2.6
229.70430	3.0
256.26242	2.6
257.26633	2.9
261.22116	2.9
403.30115	6.9
421.30957	10.0
495.34720	5.8
513.35675	100.0
513.50714	9.8
514.36365	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	513.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05502	11.0
55.34155	1.3
57.07058	4.3
65.03928	3.7
67.05497	51.8
69.07055	6.9
69.17957	12.0
70.06570	1.7
71.04980	1.4
71.08630	1.4
77.03898	1.4
79.05482	32.7
81.07044	25.4
83.04987	1.5
83.08600	5.0
84.04462	1.2
85.06522	2.3
88.07593	3.0
91.05468	100.0
93.06480	2.3
93.07027	30.3
94.96255	1.7
95.04928	6.6
95.08598	17.7
96.81931	1.2
97.06546	2.3
97.10143	2.4
98.20738	3.1
102.11567	1.4
103.05426	1.6
105.06303	2.9
105.07013	44.5
107.08583	12.0
109.10098	6.5
117.07024	9.3
119.08565	13.0
121.10131	9.9
123.11719	2.1
125.09678	1.5
128.06195	2.6
129.07007	5.2
131.08537	11.9
133.10110	97.0
135.11699	11.4
141.06950	1.6
143.08522	7.5
144.06546	1.9
145.10124	10.2
147.11699	3.1
149.09573	2.4
149.13220	3.2
151.11160	6.2
155.08533	2.1
157.10126	4.9
159.11700	4.5
161.09589	16.1
161.13261	1.7
169.10110	3.7
171.11687	4.9
173.13283	2.0
175.14763	1.7
176.13551	1.5
179.10728	2.0
181.10136	2.8
183.11656	2.9
185.13292	3.9
195.11708	2.7
197.11633	2.0
197.13278	2.7
199.14864	2.5
211.14735	2.6
212.13765	1.2
213.16190	1.4
215.14386	1.4
223.14735	1.5
235.14868	2.4
256.26373	4.0
257.26587	2.8
261.22028	1.8
283.26376	4.5
284.26703	3.3
327.23715	1.5
403.30078	3.7
421.30957	11.3
422.30884	1.4
439.32007	1.9
495.34842	5.4
513.35724	83.3
513.50745	17.5
514.36206	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	513.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01873	1.7
55.05502	8.2
57.07061	2.7
65.03915	3.5
67.05499	42.6
69.07066	6.4
71.04973	1.8
73.41640	1.1
74.66763	1.0
79.05486	30.7
81.07050	26.1
82.62712	1.1
83.04973	2.1
83.08604	4.1
86.75233	1.1
88.07602	1.5
91.05472	91.4
93.06486	2.1
93.07035	30.8
95.04945	5.8
95.08596	16.8
97.06535	1.5
97.10168	1.6
98.21487	2.3
102.09159	1.3
103.05459	1.7
105.06309	2.3
105.07018	46.5
107.08578	13.1
109.06533	1.8
109.10135	6.4
111.04349	1.2
115.05405	1.6
117.06994	7.6
119.08574	9.8
121.10137	10.1
128.06213	4.1
129.06984	3.3
131.08557	8.5
133.10110	100.0
135.11685	10.7
141.25862	1.1
143.08522	9.4
145.10104	4.4
147.11678	2.4
149.09563	1.4
149.13263	2.4
151.11195	4.3
155.08566	3.3
157.10101	3.1
159.11644	2.5
161.09618	17.9
161.13223	3.6
171.11761	3.4
173.13313	2.7
175.14783	1.4
179.08595	1.3
179.10620	2.1
181.10185	2.8
183.11745	2.1
185.13200	1.7
195.11758	1.2
197.11755	4.2
199.14822	1.4
201.16403	1.2
228.93077	1.3
229.58159	1.2
237.16385	1.3
256.26459	1.2
257.26660	1.5
261.22116	2.7
283.26480	2.1
284.26694	2.9
317.25031	1.5
403.29703	2.8
421.31091	6.4
439.44235	1.3
495.34488	3.8
513.35736	74.0
513.50623	10.7
514.36267	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	513.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75494	1.2
53.03942	3.2
55.01859	1.8
55.05511	9.7
57.07059	4.0
58.05700	1.1
58.06599	1.2
61.02935	1.3
63.82726	1.1
65.03926	2.1
67.05496	40.5
69.07057	9.0
70.06556	1.7
71.04990	2.7
71.08616	1.4
71.53123	1.7
71.94402	1.4
79.05486	30.5
81.07046	27.7
83.04970	2.3
83.08625	3.2
84.04510	1.4
85.06540	2.4
88.07621	2.9
91.05471	97.3
93.07034	29.5
95.04974	7.0
95.08598	18.4
97.06516	2.1
97.10130	2.1
105.07023	44.6
107.08586	16.6
109.10140	8.5
117.07000	9.0
117.07738	1.5
117.24306	1.2
119.08569	12.7
121.10130	11.9
123.11701	3.1
125.09638	2.0
128.06227	4.7
129.07007	3.1
131.08545	12.0
133.10117	100.0
134.10431	1.9
135.11687	14.0
141.06982	3.3
143.08536	9.7
144.06563	1.6
145.10095	6.9
147.11691	4.4
149.09624	2.8
149.13261	2.3
151.11194	5.2
152.30586	1.0
155.08557	2.3
157.10103	3.5
159.11694	6.0
161.09589	14.8
161.13234	3.3
163.14865	1.5
167.08540	1.3
169.10149	3.3
171.11697	3.4
173.13239	3.0
179.08900	1.0
179.10660	2.7
181.10115	1.9
183.11713	4.6
185.13303	2.9
187.14893	2.3
193.10060	1.8
195.11765	2.3
197.11746	2.5
197.13318	2.0
198.10245	1.1
199.14851	2.2
209.13347	2.1
211.14928	1.5
213.16402	1.2
221.13303	1.2
223.14803	2.0
243.21297	1.6
256.26328	2.5
257.26779	2.8
261.22311	2.2
269.19550	1.2
283.26154	2.3
284.26694	3.0
364.01187	1.5
403.30020	2.1
421.31027	10.0
439.32071	2.6
495.34628	3.8
513.35724	88.3
513.50610	14.1
514.36255	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	513.3055
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.73733	2.6
53.37391	2.5
55.01862	3.4
55.05500	11.1
57.03422	5.7
61.02923	14.4
65.03906	3.6
67.05502	34.1
69.03428	4.6
69.07050	8.6
69.87805	15.6
70.35609	2.8
71.04987	4.6
73.02918	4.7
79.05487	39.8
81.03452	5.8
81.07050	33.9
83.08592	3.6
85.02906	14.0
91.03967	6.5
91.05485	32.9
93.07038	42.5
93.41551	2.4
95.04951	6.9
95.08595	19.8
97.02892	8.6
97.06525	5.2
97.10161	2.5
105.07027	30.3
107.08591	28.2
109.06508	5.7
109.10147	10.6
117.06984	7.8
119.04906	3.1
119.08557	27.2
121.06534	4.7
121.10136	22.7
123.11700	2.6
123.67193	2.9
125.09615	3.8
129.06992	4.6
131.08543	11.2
133.10121	24.8
135.11658	23.5
137.09634	3.8
143.08534	8.7
145.10121	19.5
147.04420	9.4
147.11676	25.5
149.09575	4.9
149.13213	16.3
155.08583	3.0
157.10117	8.9
159.11655	14.8
161.13243	19.0
163.14848	4.7
171.11667	9.7
173.13261	11.6
175.14882	10.4
177.05524	3.3
179.06984	3.2
185.13342	7.0
199.14833	3.7
211.13278	3.8
231.21037	3.8
241.19519	16.5
259.20557	46.5
261.49332	2.4
263.07336	2.9
271.20441	3.0
277.21637	11.3
291.06519	6.1
306.08978	3.1
321.11163	3.5
333.24252	10.0
349.10513	13.5
349.23526	4.9
351.25259	100.0
367.22620	2.8
402.45114	3.2
417.26398	3.4
441.26328	4.7
459.26932	4.7
477.28320	4.2
495.29416	6.3
513.27216	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.2
53.03930	10.4
55.01857	8.9
55.05506	35.7
57.03429	28.2
57.07059	5.2
59.05003	3.1
61.02912	24.2
63.14929	2.3
65.03931	4.1
67.05497	100.0
69.03419	28.1
69.07063	40.2
70.13184	10.6
71.04999	11.9
71.08620	10.0
73.02912	11.4
75.91644	2.5
78.60926	2.1
79.05484	66.7
81.02988	3.2
81.03418	33.1
81.07048	84.7
81.07528	4.4
83.04971	13.6
83.08607	22.4
85.02894	37.7
85.06544	4.6
87.04502	3.0
91.03969	11.1
91.05466	52.3
93.07034	81.4
93.30037	2.3
94.32009	2.6
95.04955	10.7
95.08600	60.5
97.02892	29.3
97.06521	19.0
97.10190	11.2
99.04453	9.4
99.08075	8.9
101.02354	12.7
103.03933	6.1
105.06322	2.6
105.07016	45.5
107.04962	5.9
107.08577	52.0
109.02879	9.8
109.06509	10.5
109.10143	35.5
111.08089	7.7
117.07024	15.1
119.04931	3.5
119.08572	40.0
121.10132	42.0
123.08043	5.1
123.11695	9.2
125.09626	8.3
127.03936	15.4
129.05496	6.3
129.06993	7.8
131.08540	16.6
133.06447	4.7
133.10123	27.6
135.08044	3.3
135.11687	34.8
137.09616	5.1
139.11108	5.3
143.08563	9.5
145.04941	3.0
145.10085	16.8
147.04355	6.7
147.11679	29.0
149.09633	5.1
149.13242	17.8
151.11160	7.3
157.10129	9.8
159.11642	14.4
161.09685	2.9
161.13203	14.9
163.11108	4.4
163.14810	6.5
165.12712	4.7
171.11676	7.5
173.11751	5.5
173.13220	8.9
175.11234	3.5
175.14790	7.6
177.12669	3.3
179.14307	34.5
179.56627	2.6
183.06549	4.1
185.11757	2.9
185.13240	7.6
187.14828	4.8
189.11162	4.3
189.12766	3.5
191.14349	2.6
197.13205	3.6
199.14775	7.4
203.14272	3.4
207.13858	3.2
209.44649	2.7
211.72668	2.5
221.15323	3.3
229.14241	5.1
241.19496	8.0
259.20511	25.3
277.21588	54.9
333.24149	8.1
341.09973	2.8
349.10754	3.2
351.25241	57.5
365.34686	2.5
379.24442	4.7
418.56503	2.6
495.29480	3.3
513.30194	10.4
514.27106	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.05502	8.9
57.03426	5.7
61.02918	14.1
67.05503	29.5
69.03417	6.5
69.07052	8.5
69.36581	18.0
69.36985	4.3
71.04964	4.1
73.02899	6.6
79.05486	30.1
81.03393	5.4
81.07040	32.6
83.04964	4.9
83.08610	4.4
85.02888	10.0
91.03943	4.8
91.05457	29.6
93.07037	44.8
95.04934	5.3
95.08605	22.4
97.02870	8.2
97.10145	5.0
98.20737	2.7
101.34019	2.7
102.29317	2.5
105.07027	34.9
107.08573	30.1
109.06525	2.7
109.10132	10.3
117.07014	9.2
119.08588	28.3
121.10149	21.7
123.11646	4.6
129.07010	4.8
131.08577	17.1
133.10127	23.1
135.11665	20.5
143.08545	6.6
145.10091	15.8
146.39638	2.7
147.04385	5.1
147.11658	25.6
149.13269	14.1
155.08464	3.4
157.10114	7.9
159.11688	12.1
161.13214	22.3
163.14836	4.0
171.11665	7.6
173.13226	6.4
175.14835	11.4
177.12685	3.5
185.13213	8.1
213.16429	4.0
231.21082	3.2
241.19392	17.1
259.20532	44.3
277.21609	7.0
333.24091	8.3
349.10489	2.8
349.23770	6.2
351.25253	100.0
352.25244	3.8
367.22864	2.9
385.23517	3.7
396.26593	3.1
424.85611	2.8
441.26431	5.1
459.27380	5.0
495.29324	6.0
513.29303	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03176	3.4
53.03931	10.6
55.01860	13.1
55.05506	32.4
57.03431	48.8
57.07064	4.0
58.91815	2.8
61.02912	23.2
62.18799	2.9
65.03932	8.0
67.05136	4.2
67.05497	81.5
69.03425	21.6
69.07059	28.0
69.90155	12.7
71.04978	28.0
73.02889	11.1
75.71792	3.3
79.05485	76.0
81.03395	28.7
81.07045	100.0
83.04980	15.1
83.08611	18.4
85.02888	34.4
85.06509	8.1
87.04470	7.7
91.03953	10.4
91.05463	68.6
93.07033	94.6
95.04948	13.1
95.08598	73.8
97.02886	39.1
97.06512	8.6
97.10154	7.0
99.04428	12.2
99.08077	4.7
101.02356	6.3
103.03923	3.3
105.07020	54.0
107.04964	4.8
107.08585	59.2
109.02868	11.2
109.06501	12.9
109.10144	38.4
111.04399	6.8
111.08084	10.9
111.11726	3.6
117.07021	23.1
119.04975	2.9
119.08581	43.4
121.06448	4.5
121.10135	46.9
123.08064	7.8
123.11684	8.3
125.09644	6.7
127.03938	16.4
129.05489	16.1
129.06978	10.3
131.08548	32.7
133.10123	40.4
134.10413	4.4
135.07980	3.9
135.11685	40.9
142.07733	3.9
143.08519	14.4
145.04921	3.6
145.10101	31.6
147.04407	8.1
147.11664	31.2
149.13242	27.6
157.08629	3.3
157.10098	8.9
159.11679	24.9
161.13225	17.0
163.11203	3.3
163.14801	5.4
171.11650	11.9
173.11772	6.5
173.13226	18.1
175.14784	13.2
177.12708	7.1
179.14233	3.4
183.06459	4.4
183.11671	3.9
185.11749	4.4
185.13254	10.2
187.14801	13.4
195.13817	5.1
199.11299	3.6
199.14757	6.0
203.14282	3.5
203.17892	3.9
205.15904	5.3
221.18951	3.4
229.14256	9.0
231.21045	5.0
241.19551	17.3
259.20551	37.9
269.17432	4.9
275.20044	4.0
277.21545	44.9
295.23035	4.1
333.24179	8.3
349.10660	6.8
351.25241	60.7
423.27588	6.5
477.28241	4.7
495.29837	4.7
513.30225	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24348	2.0
53.03931	4.9
53.60642	2.0
55.01866	4.0
55.05504	29.6
57.03419	24.3
57.07064	10.2
58.67920	2.1
67.05499	100.0
69.03422	11.6
69.07062	39.4
70.06573	2.5
71.01350	20.6
71.04971	4.3
71.08624	7.3
71.13747	5.2
73.02910	25.0
79.05481	33.5
79.30702	2.1
81.07050	97.3
81.07530	5.4
83.04957	5.0
83.08617	23.9
85.02894	47.8
85.10139	3.2
87.05576	5.1
91.05474	22.3
93.07027	34.4
95.01305	15.6
95.04983	4.7
95.08596	84.7
97.02866	17.1
97.06548	3.0
97.10174	12.7
99.00798	3.8
99.08081	3.4
100.97479	2.2
101.02367	6.1
103.03931	6.5
105.07012	21.1
105.10583	2.2
107.08590	17.4
109.10143	36.5
111.08067	3.8
111.11681	4.3
113.02352	22.4
117.05478	2.3
117.06972	3.0
119.08592	12.3
121.10136	17.8
123.11691	17.9
125.09624	3.2
131.03374	15.4
131.08565	3.0
133.10110	14.5
135.11693	12.2
137.13222	9.1
141.01801	30.6
145.04922	3.3
145.10089	3.2
147.11700	10.7
149.13231	9.4
151.14787	5.6
151.18590	2.3
157.10184	2.3
159.02893	6.3
159.06482	3.4
159.11661	3.5
161.13242	10.1
163.14844	8.6
165.16414	3.0
169.04948	5.3
175.14786	8.8
177.16376	4.0
179.14384	2.6
189.16389	5.5
197.04446	3.3
215.05602	10.7
229.11789	2.5
230.51137	2.1
245.22653	19.5
256.26312	4.8
257.26660	2.7
263.23666	40.2
268.22659	5.0
283.26291	3.8
305.24719	6.3
335.25800	2.6
337.27341	56.8
357.24118	3.5
365.26923	4.3
375.25153	2.6
379.28461	2.7
385.23804	3.7
459.27634	2.3
477.28198	2.7
491.31293	2.5
495.29309	5.4
513.30389	26.8
513.50555	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21919	3.3
55.01862	3.4
55.05491	11.9
57.03420	9.7
58.88555	3.3
61.02906	10.4
61.67770	3.5
67.05248	2.9
67.05499	34.8
69.07035	8.6
69.36412	29.2
71.82579	3.6
73.02885	4.5
78.09625	3.1
79.05490	32.9
81.07043	32.7
83.08628	5.9
85.02907	16.9
91.03947	11.7
91.05480	26.1
93.07031	41.9
95.04931	4.3
95.08615	26.8
97.02897	7.0
105.07020	26.9
107.08595	27.4
109.10134	11.3
117.06987	8.5
118.06458	3.6
119.04946	6.2
119.08580	30.3
121.10122	23.4
125.09579	4.5
129.06992	6.5
131.08574	10.6
133.10144	26.8
135.11688	23.4
143.08505	4.9
145.10095	14.7
147.04381	21.9
147.11734	18.3
149.13222	10.4
157.10118	8.9
159.11668	10.0
161.13245	22.3
171.11658	10.2
173.13211	7.1
175.11089	5.3
175.14827	7.1
185.13231	7.3
199.14812	4.0
230.06805	3.8
231.07938	4.2
241.19614	17.7
259.20599	42.3
260.08218	7.2
261.08978	4.1
263.06946	7.5
277.08826	3.7
277.21643	5.6
278.08923	4.5
288.07819	5.5
291.06461	13.7
306.08801	14.9
321.11194	12.6
333.24466	4.9
333.64816	3.4
349.06772	5.2
349.10638	36.0
349.23553	5.1
351.25287	100.0
441.25858	4.7
513.14276	3.7
517.58472	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	513.3053
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05494	7.2
57.03428	7.0
61.02908	16.6
67.05499	21.5
69.03416	5.4
69.07049	10.7
69.25494	3.4
69.44129	26.9
71.04950	4.5
73.02908	3.2
79.05479	32.1
79.35213	3.5
81.03401	4.6
81.07050	25.9
83.08593	4.7
85.02892	12.9
91.03914	5.8
91.05464	21.3
93.07030	33.8
95.08586	22.6
97.02864	7.6
98.21462	6.7
105.07021	24.8
107.07948	2.9
107.08563	19.1
108.30263	3.0
109.10107	8.2
117.07030	7.0
119.08565	27.3
121.10142	19.4
123.08086	3.7
124.97559	3.9
129.06952	4.4
130.18124	3.6
131.08556	12.0
133.10095	18.3
135.11699	21.1
143.08566	5.8
145.10138	15.0
147.04395	4.1
147.11667	20.3
149.13240	11.8
157.10110	9.6
159.11665	10.6
161.13272	19.5
163.14752	3.2
171.11658	6.2
173.13278	9.6
175.14836	8.4
177.12566	3.3
179.14314	3.2
185.13257	11.7
187.14719	4.3
214.39084	3.1
241.19551	18.8
259.20532	36.0
277.21640	9.0
321.11166	4.6
333.24188	6.8
349.10938	7.2
351.21149	6.9
351.25253	100.0
441.26288	5.1
477.28198	5.1
495.29388	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05503	0.9
55.86730	0.3
57.03427	0.8
57.07071	0.5
63.60191	0.3
65.03931	1.3
67.05500	3.7
69.07064	4.4
71.52517	0.6
79.05487	3.4
81.03387	0.5
81.07046	2.6
87.91169	0.3
91.05477	12.7
92.05798	0.4
93.07033	3.1
95.04968	0.7
95.08614	1.7
97.06514	0.8
105.07037	1.7
107.08564	1.2
109.10137	1.0
117.07008	0.7
119.04932	20.9
119.08573	0.8
121.10138	0.6
128.70779	0.4
129.05473	0.5
131.08569	0.8
133.10085	1.2
135.11705	0.3
143.07028	0.8
143.08571	0.4
145.10095	0.6
147.04395	100.0
147.11635	0.7
148.04732	1.5
159.11661	0.7
165.05472	0.6
173.13217	0.4
212.44469	0.3
221.08064	0.6
256.26282	0.5
266.80908	0.4
270.06335	0.3
275.20001	0.5
495.27298	0.4
513.28241	1.7
513.35736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	14.7
55.05500	29.0
57.03421	23.3
58.56254	2.5
59.04980	5.2
65.03931	4.1
67.05499	100.0
67.60240	2.6
69.03411	6.1
69.07056	15.7
71.04988	4.5
71.52750	5.1
73.02912	6.0
79.05485	31.7
81.03425	6.2
81.07040	52.2
82.11912	2.6
83.04984	7.5
83.08610	18.0
84.84906	3.1
85.02898	6.3
85.06522	2.9
87.04419	3.9
89.44790	3.3
91.05477	27.8
93.07028	29.9
95.04938	7.9
95.08585	22.3
97.06518	8.8
97.10148	15.0
99.04406	3.2
101.95924	2.9
105.07015	10.9
107.08575	18.9
109.10143	65.2
109.10853	6.1
111.08092	6.9
116.04700	9.3
117.07024	6.2
119.04946	14.4
119.08576	15.9
120.40501	2.9
121.10114	9.7
123.08014	4.1
123.11720	3.9
125.09624	12.5
129.05464	36.6
129.06967	2.9
131.08548	8.2
133.10141	8.4
135.11667	8.3
137.09651	4.9
143.07040	7.8
145.10106	3.9
147.04384	53.9
147.11699	3.8
149.13243	9.6
157.08594	5.1
157.10158	4.1
159.11668	4.5
173.11719	22.2
185.11743	9.7
188.69638	3.1
194.17268	3.0
195.13756	7.1
199.13264	3.4
228.98015	3.8
229.14351	44.7
269.17477	9.7
317.17868	4.3
423.27130	25.6
471.18167	5.4
513.29071	14.2
513.36511	6.9
513.51080	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	513.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03928	1.1
55.01855	0.7
55.05495	2.1
55.56235	0.3
57.03412	1.5
57.61240	0.3
60.37611	0.3
65.03905	1.6
67.05496	7.6
68.10564	0.3
69.03403	0.3
69.07044	1.4
71.04978	0.6
71.52975	0.6
79.05485	9.1
81.03416	0.5
81.07046	8.3
83.04968	0.7
83.08562	0.5
85.02885	0.4
91.05468	23.3
93.07028	5.9
95.04971	2.1
95.08597	3.5
97.06503	0.5
103.05457	0.5
105.07027	6.7
107.04898	0.6
107.08562	2.7
109.06496	0.6
109.10132	1.3
115.05447	0.6
117.06993	3.8
119.04927	19.0
119.08564	4.2
121.10143	2.1
128.06198	0.4
129.05508	0.6
129.07002	2.1
130.07837	0.5
131.08562	5.0
133.10127	2.4
135.11679	1.0
141.06985	0.6
143.08537	1.1
145.06535	0.5
145.10094	3.0
147.04387	100.0
147.11632	1.9
148.04707	1.2
149.13268	0.5
151.11160	0.3
155.08549	0.8
157.10101	1.3
159.11652	2.6
161.13269	1.0
165.05502	0.4
169.10202	0.6
171.11676	1.2
173.13266	1.6
174.09364	0.4
177.12744	0.3
183.11586	0.4
185.13199	0.7
197.13287	0.8
221.08073	1.6
239.17899	0.7
257.19052	1.3
321.72986	0.4
331.22702	0.5
349.10535	0.6
349.23764	1.3
390.65735	0.4
495.27560	0.5
513.28363	0.7
513.36792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.9
57.03431	9.1
61.02922	14.7
65.03902	2.7
67.05503	22.9
69.03417	3.4
69.07068	6.0
70.05296	12.8
73.02912	6.3
79.05484	26.6
81.07042	23.2
83.04957	3.7
85.02899	12.8
85.06541	4.5
91.03967	6.1
91.05471	26.4
93.07043	44.3
95.04982	5.6
95.08609	20.1
97.02845	6.3
105.07004	26.8
107.08584	22.3
109.10113	8.8
109.44634	2.8
117.07020	6.5
119.04949	5.1
119.08572	29.3
121.10146	19.2
123.11706	3.2
129.06981	6.9
131.08546	10.6
133.10147	22.1
134.35194	2.7
135.11688	16.3
142.66188	2.7
143.08588	4.9
145.04996	3.3
145.10078	15.1
147.04387	27.1
147.11670	22.8
149.13239	12.5
157.10135	4.2
159.11673	9.4
161.13190	15.7
163.14816	3.3
171.11653	6.4
173.13249	6.3
175.14853	9.6
185.13289	5.6
187.14754	3.1
199.14883	4.5
207.13696	3.1
231.21019	3.2
241.19479	20.5
259.20575	40.1
277.21725	6.8
333.24188	5.0
349.10651	5.9
349.23734	5.8
351.25253	100.0
352.25662	4.5
459.27539	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	512.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84785	0.5
53.03939	1.7
55.01876	0.9
55.05486	1.6
57.03421	1.7
57.91424	0.7
59.04988	1.2
60.04519	4.5
60.97363	0.6
61.02912	2.8
64.89568	0.6
67.05482	1.9
69.03419	7.2
69.07042	1.8
70.06567	2.8
71.01351	0.6
71.04986	12.5
71.52688	1.0
73.02908	1.8
73.06532	2.8
76.07677	0.5
79.05487	3.2
81.03410	3.9
81.07050	17.6
83.04986	0.7
83.08630	0.7
85.02898	43.7
86.09690	2.0
87.04456	0.8
91.03941	1.8
91.05469	1.7
93.07030	10.1
95.04951	0.7
95.08585	3.1
97.02881	9.9
97.06503	1.3
99.04467	1.5
105.07040	1.2
107.08585	8.1
109.02864	6.1
109.10120	1.8
111.79292	0.7
120.08045	1.1
124.32633	0.7
127.03915	13.4
135.11671	18.2
136.12006	0.7
145.04951	21.3
151.03845	0.9
153.12727	100.0
154.13107	1.1
159.02847	0.7
162.35191	0.6
163.03935	0.9
163.05992	8.9
171.19998	0.7
177.05478	1.1
211.05899	0.8
223.13179	1.0
247.09628	1.1
263.06976	1.4
265.10715	7.3
311.05603	1.0
323.09070	4.2
325.11282	1.8
332.27866	1.8
340.09348	0.8
350.28992	3.9
466.41531	0.6
507.93130	0.7
512.33972	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	513.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
53.36091	0.5
55.01878	0.7
56.60703	0.5
58.72634	0.5
64.22262	0.4
67.05479	0.7
69.03416	2.6
70.06566	1.9
70.33504	0.8
70.33900	1.3
72.08143	0.6
75.39307	0.5
79.05482	0.7
79.81870	0.5
81.03408	25.5
82.44906	0.5
84.04502	0.6
84.08143	0.8
85.02879	1.3
86.09679	1.5
91.05457	1.0
97.02891	3.1
97.76549	0.5
99.04435	1.9
105.07009	1.3
107.04917	0.7
109.02865	62.3
110.07119	0.5
117.06979	0.6
118.81705	0.5
120.08096	0.7
123.04400	0.8
124.05164	0.9
125.05989	0.6
127.03902	3.0
133.10107	0.8
137.05978	1.5
147.04399	0.5
151.03851	0.9
160.05162	0.9
161.05940	0.9
161.09602	0.8
163.03845	0.5
175.03824	0.5
175.07518	2.9
177.05522	0.6
179.10695	0.6
189.05443	0.6
191.07016	0.7
192.05530	0.6
194.07272	1.6
194.47978	0.6
201.05344	2.8
205.06477	1.6
206.07228	0.8
207.08081	0.8
218.05737	1.1
219.06267	2.4
219.08266	1.2
219.10054	0.7
220.05173	7.3
221.05988	0.9
222.06693	3.6
233.05931	1.1
233.08134	1.9
234.06735	1.9
235.07536	15.9
237.05457	1.8
237.09032	7.1
245.04353	4.1
247.07561	1.2
248.04773	3.9
249.05371	1.9
250.06290	2.7
251.07011	1.5
252.07819	1.1
254.09209	0.5
263.07016	20.6
264.07672	2.0
265.04980	5.8
265.08560	14.0
265.10623	0.9
266.09311	1.0
276.04074	0.6
279.06528	1.7
280.07251	8.1
281.08408	0.5
282.08749	1.4
291.06470	6.0
293.04590	0.9
295.09503	1.4
296.10590	0.9
297.11218	8.4
299.09122	0.8
307.06104	1.4
308.06674	2.4
312.06100	0.7
312.21683	0.5
313.10651	3.8
322.08371	3.2
323.09094	100.0
324.09460	1.9
327.08673	1.2
335.09061	0.6
340.09351	16.7
341.10159	12.1
352.08533	0.8
372.94794	0.6
431.11203	2.4
449.12320	11.2
459.77872	0.6
485.14050	1.3
498.72733	0.7
513.13562	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	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.1
53.03946	8.3
55.01872	12.3
55.05506	14.5
57.03428	11.6
57.07085	2.0
61.02921	30.4
65.03920	4.1
67.05493	42.1
69.03416	17.4
69.07063	26.4
70.35049	4.9
71.04987	10.4
73.02909	16.1
79.05482	37.3
81.03407	23.4
81.07047	70.3
83.04964	13.3
83.08619	10.4
85.02894	33.2
85.06529	3.3
87.04459	1.7
91.03941	17.8
91.04902	2.6
91.05473	52.5
93.07033	34.3
95.01316	7.3
95.04952	13.3
95.08601	29.8
97.02878	26.1
97.06518	21.4
97.10151	4.9
99.04454	4.8
101.02361	5.7
103.03950	2.3
103.05461	3.2
105.07016	71.4
107.04951	19.5
107.08591	18.6
109.02846	6.7
109.06506	9.2
109.10139	9.5
111.04445	2.9
111.08051	4.8
113.81531	1.6
115.05437	2.5
117.07018	17.9
119.04856	1.7
119.08573	34.1
121.06485	3.4
121.10123	11.6
123.08049	3.3
123.11685	2.5
125.09626	2.6
127.03916	15.1
129.06984	5.2
131.08545	18.2
133.06500	2.1
133.10115	46.1
135.08046	4.4
135.11662	9.1
141.06947	2.4
143.08604	2.3
145.04950	2.1
145.06441	1.9
145.10097	20.3
147.04337	2.4
147.11647	18.3
149.09592	5.6
149.13229	7.2
151.11169	4.1
157.10095	6.7
159.11639	15.3
161.09587	2.4
161.13239	6.5
163.11156	4.3
163.14780	2.4
163.52003	1.5
165.09070	2.2
169.10121	5.4
171.11693	3.4
173.09697	2.5
173.13229	3.8
175.11113	1.8
177.12717	4.1
179.14270	14.6
183.11736	2.4
187.11200	2.3
193.12215	5.5
211.13277	7.8
229.19400	2.3
241.14304	2.4
247.20616	2.3
257.18976	6.5
267.15750	2.1
275.20023	100.0
349.23749	35.1
377.22961	4.1
419.24286	2.1
467.29663	3.6
493.27631	2.6
511.27762	4.0
511.32507	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	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01868	6.3
55.05508	24.8
57.03445	11.0
57.07044	2.3
58.08348	2.3
60.84565	2.3
61.02919	33.4
64.42134	2.1
67.05497	42.3
69.03422	16.8
69.07056	12.1
71.01344	3.5
71.04998	8.4
71.52277	2.5
72.05139	2.0
73.02923	12.2
79.05049	2.0
79.05486	55.6
81.03412	17.1
81.07053	34.9
81.86953	2.6
83.04990	18.6
83.08600	7.1
85.02899	38.0
85.06506	2.5
91.03953	16.5
91.05478	44.1
93.07034	37.8
95.04955	7.8
95.08588	18.5
97.02879	25.3
97.06518	3.9
97.10159	6.3
98.90823	2.7
99.04445	5.6
101.02369	6.2
103.03889	3.2
105.07021	48.8
106.81625	2.3
107.04953	10.6
107.08578	34.0
109.02872	5.9
109.06514	5.8
109.10134	17.7
111.08038	3.3
117.07013	10.3
119.08571	36.2
121.06564	3.9
121.10116	15.8
123.11697	4.5
125.09639	5.0
127.03907	14.8
128.06261	4.8
129.06943	3.4
130.07796	3.5
131.08569	21.3
132.23607	2.5
133.10124	42.0
135.08054	6.4
135.11694	6.3
137.09630	7.1
145.04965	3.8
145.06531	3.0
145.10080	13.3
147.04417	3.4
147.11638	20.3
149.09612	31.7
149.13252	3.1
152.93347	2.5
153.09088	2.8
155.08525	3.2
157.10078	3.2
159.11700	10.3
161.13231	5.1
163.11205	4.6
169.10185	3.5
169.12280	4.5
171.11716	3.0
173.11877	3.6
173.13293	8.2
175.11119	2.5
183.06554	4.2
189.11235	8.6
195.11650	3.0
197.13371	4.8
209.15370	7.9
227.12787	3.8
228.23839	2.2
229.19514	4.8
231.62985	2.3
233.15340	3.4
239.17978	3.6
257.18866	11.8
275.20044	100.0
349.23752	40.6
377.23315	4.0
457.25790	2.5
511.12262	5.5
511.29367	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19608	0.4
53.03930	0.5
55.01859	0.6
55.05513	1.1
57.03411	0.7
65.03934	1.7
67.05499	4.4
69.07061	5.5
69.40059	1.0
69.40468	3.3
71.04973	0.8
72.22974	0.5
79.05488	7.0
81.03417	1.1
81.07047	3.9
83.08632	0.5
91.05473	20.7
93.07038	3.0
93.53220	0.5
95.04951	1.2
95.08603	1.6
97.06517	1.8
105.07021	6.6
107.08571	1.2
109.10109	0.9
115.05441	0.7
117.07018	2.1
119.04926	20.2
119.08570	2.0
121.10120	1.0
129.06984	1.6
131.08580	2.5
133.10080	2.9
135.11635	0.7
141.06956	0.5
143.06989	2.4
143.08597	0.9
145.10136	1.0
147.04395	100.0
147.11720	0.6
148.04726	1.6
151.11191	0.5
155.08519	0.8
157.10133	0.9
161.08009	0.7
169.46950	0.4
171.11713	0.5
180.09210	0.4
183.80705	0.4
185.32845	0.5
193.12297	1.0
195.11606	0.6
211.13278	0.6
221.08075	2.0
222.24826	0.4
241.61792	0.5
315.62064	0.5
328.89828	0.6
347.22070	0.5
511.26996	1.6
537.42249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.2
55.01862	5.2
55.05504	23.3
57.03437	22.7
57.07058	4.5
59.04995	2.9
59.45242	2.9
61.02916	7.0
64.20190	2.9
65.03941	4.3
67.05499	65.5
69.03417	33.3
69.07066	26.7
71.01322	3.1
71.04993	13.7
71.52427	5.0
73.02884	4.9
79.05488	53.5
81.03413	70.9
81.07049	100.0
82.16781	3.3
83.04967	19.5
83.08601	17.7
85.02905	25.1
85.06559	6.4
87.04455	4.0
91.05481	62.3
93.06482	4.9
93.07037	54.6
95.04965	21.3
95.08596	39.7
97.02877	34.5
97.06536	10.9
97.10154	4.7
99.04463	12.9
101.02335	3.9
103.03932	5.7
103.05464	2.7
105.07027	43.6
107.04967	13.4
107.08589	29.2
109.02881	12.5
109.06525	11.4
109.10159	20.2
111.04418	10.4
111.08057	6.1
117.07017	23.4
119.04945	9.2
119.08566	36.9
121.06499	4.8
121.10141	25.4
123.08057	5.9
123.11682	9.3
123.69834	2.4
125.06000	3.8
125.09631	4.0
127.03899	21.2
128.06223	3.5
129.05498	7.7
129.06979	10.7
131.08551	20.9
133.06538	4.1
133.10120	29.6
135.08026	4.8
135.11685	11.2
137.05959	4.7
137.09596	3.5
143.08540	8.9
145.04912	4.2
145.06528	3.7
145.10085	19.2
147.04407	28.1
147.08080	2.6
147.11674	22.7
149.06163	2.7
149.09608	6.3
149.13300	15.9
151.11188	5.6
153.05444	6.8
155.08546	4.7
157.10121	10.6
159.11653	20.4
161.05960	2.9
161.13275	5.4
163.07599	3.4
163.11157	7.6
165.12733	3.2
167.07010	5.2
171.11679	5.2
173.04425	22.9
173.11731	5.0
173.13268	8.1
175.11143	4.9
177.12752	7.2
183.06558	3.3
183.11685	6.7
185.13234	4.0
189.11189	3.2
193.12190	10.2
195.12106	2.5
195.13779	15.5
201.12698	3.6
211.13286	6.3
229.14313	3.6
247.20625	4.2
257.04462	6.8
257.18909	7.8
269.17499	9.4
275.20050	36.8
293.20975	3.3
349.23764	31.4
375.25098	12.4
379.24850	3.1
395.20389	3.8
413.21768	18.8
511.11996	5.6
511.28653	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	511.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09589	0.3
62.14809	0.4
64.16405	0.3
64.60246	0.4
67.05473	0.6
68.35370	0.3
68.99792	0.5
69.03416	0.4
70.06549	0.5
70.08531	0.8
70.08935	1.0
72.08132	0.4
81.03400	1.3
82.21085	0.3
84.08128	0.4
85.02867	1.1
86.09674	0.8
86.81039	0.4
88.53908	0.3
91.05463	0.8
95.04959	0.8
95.08569	0.4
95.78507	0.3
97.02882	0.5
97.06473	0.4
103.33890	0.4
105.06997	0.5
107.08566	0.4
109.02875	2.0
109.03534	0.5
119.01289	0.4
119.04974	0.5
119.08569	0.5
123.04438	0.5
127.03933	0.7
131.04887	0.6
131.08485	0.4
133.10139	0.3
137.05981	0.5
140.76465	0.3
145.02802	1.1
151.03870	1.1
153.01819	3.6
159.04396	0.4
163.03941	0.6
173.09625	0.4
173.13243	0.5
175.03908	0.6
177.05455	1.6
181.05000	1.1
187.03882	22.7
188.04477	1.0
203.03441	1.2
204.04196	1.2
205.01376	0.9
215.03378	33.2
216.04108	2.9
217.04895	2.2
229.01054	0.4
231.06497	0.8
232.03708	1.7
243.02863	5.4
245.04398	1.0
247.06017	1.7
257.04517	1.9
260.03192	2.3
261.03934	1.3
263.09241	0.5
271.02347	31.8
272.02740	0.6
275.05460	11.1
277.07101	1.4
279.08652	0.4
288.02643	0.5
294.96506	0.3
303.04956	41.7
304.05167	0.6
307.08197	0.8
317.06424	1.3
321.18445	0.6
335.07578	100.0
336.07883	2.5
366.07605	0.4
367.08182	1.3
450.47913	0.4
511.11102	1.6
511.23761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01857	2.5
55.05492	0.7
57.03410	1.4
61.02897	1.3
67.05496	1.5
68.99778	1.5
69.03417	6.8
69.07056	0.4
69.57681	2.2
71.04973	1.0
73.02909	2.0
75.96545	0.3
79.05468	1.7
81.03406	9.2
81.07030	1.2
83.04960	0.5
83.08617	0.4
85.02891	13.0
85.06559	0.4
87.00816	5.5
87.04447	0.4
91.03963	0.7
91.05447	2.2
93.07039	1.7
95.08574	0.9
97.02880	5.2
99.04412	2.7
100.11227	0.7
105.01865	3.2
105.07004	1.1
107.04935	1.1
107.08575	0.7
109.02859	6.8
109.06508	0.6
109.10170	0.6
109.35723	0.4
115.05370	0.4
117.01815	1.1
118.02171	0.4
118.65034	0.3
119.04963	0.6
119.08542	1.2
120.08129	0.3
121.06444	0.4
121.10095	1.1
123.04390	0.6
127.03902	9.2
128.06189	0.5
129.01817	0.7
129.06985	1.6
131.08522	0.7
133.02872	0.6
133.06458	0.7
133.10114	0.5
135.08087	0.5
137.05940	1.4
145.04953	3.1
145.06532	0.4
146.07254	0.5
147.02869	0.7
147.04405	0.6
147.08038	0.6
149.09579	0.3
151.07471	0.3
157.06462	1.4
159.02875	4.5
160.05109	0.3
161.06012	0.5
163.03841	0.4
163.07520	0.5
163.11185	0.4
165.05431	0.6
165.09116	0.4
173.05933	0.5
174.06714	0.5
175.03851	0.4
175.07498	1.9
177.05420	0.8
178.02614	1.7
179.06949	0.6
181.04942	0.4
185.05928	1.3
189.01830	0.7
189.05426	0.6
189.08975	1.6
190.06197	0.4
191.03398	0.5
191.06889	0.3
192.04134	0.7
192.07816	0.9
193.04942	5.9
193.08531	0.4
193.12158	0.6
194.02078	2.7
202.06206	0.6
203.03239	0.9
203.07036	1.7
205.04918	2.4
206.02119	1.7
207.06447	1.0
207.10143	0.5
209.04419	14.9
211.13252	0.5
213.05478	1.6
217.04860	0.6
217.08551	1.5
219.02859	0.7
220.03619	1.2
220.07228	2.8
221.04442	4.5
221.07916	1.8
223.05980	0.8
227.12827	0.4
230.05656	0.5
231.04710	0.7
231.06555	1.0
232.07309	0.8
233.04407	6.7
234.05159	0.9
235.05959	1.1
235.09593	3.8
245.08047	1.1
248.06740	2.8
263.09106	100.0
264.09467	1.6
287.05554	0.5
314.07745	0.4
329.06525	0.5
357.06070	0.4
421.73541	0.4
465.08142	1.0
511.12497	3.8
511.28491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3542
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.54710	0.6
55.05491	1.0
56.05009	1.1
57.03423	1.0
57.07066	5.4
58.06591	1.4
60.08157	17.0
67.05488	1.6
69.07034	0.8
71.07353	6.9
71.08615	3.0
81.07021	1.4
83.08598	1.1
85.10175	1.6
86.09695	49.1
95.08587	2.7
97.10162	0.7
98.21519	2.0
98.98454	3.4
100.03067	0.6
104.10728	100.0
106.96365	0.6
107.82452	0.6
109.10112	1.5
124.99984	25.8
128.33176	0.6
184.07321	93.5
229.43997	0.6
239.23668	1.6
258.10999	1.3
276.63342	0.6
305.64804	0.6
313.27368	5.4
327.28940	2.4
436.12491	0.7
492.34457	9.1
510.35559	32.9
511.35925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	17.9
57.03429	7.3
57.07071	82.2
67.05487	28.3
69.07064	16.0
71.08626	61.7
79.05487	8.2
79.12393	5.8
81.03397	7.0
81.07056	39.0
81.19738	6.2
83.08593	22.9
85.02903	17.5
85.10179	39.7
86.09666	8.7
91.05457	9.5
95.08600	56.0
96.86180	7.7
97.02867	14.1
97.10146	18.7
98.21516	17.7
101.60422	6.8
103.57354	7.1
104.10721	17.2
104.49134	6.6
105.17899	6.6
106.10213	6.9
109.10145	25.8
118.69885	7.4
123.11673	13.1
127.03907	18.9
137.13188	10.0
145.04951	12.8
175.62482	7.8
183.26897	8.7
184.07309	8.3
223.40500	7.0
232.22679	6.9
239.23648	61.3
257.24704	8.1
259.59464	7.4
313.27374	100.0
330.18372	6.8
331.28513	8.1
339.88965	6.5
353.74606	6.5
383.27814	18.3
401.28918	65.7
503.25021	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01853	3.7
55.05505	16.7
57.07069	46.6
60.69110	2.1
67.05497	59.3
69.03397	2.6
69.07060	19.1
69.91807	4.7
69.92217	10.3
70.07340	2.3
71.04976	6.2
71.08616	37.6
79.05485	14.0
80.63274	2.2
81.07045	63.4
83.04970	8.7
83.08624	14.1
85.06528	10.0
85.10175	14.0
91.05466	31.2
93.07021	15.3
95.04974	3.1
95.08606	31.8
97.06494	3.6
97.10153	7.0
97.67033	2.1
99.04422	3.5
100.39864	2.6
105.07009	40.0
107.08573	38.8
109.06506	6.3
109.10141	82.0
112.00774	2.4
113.05981	5.0
119.08588	2.7
123.11706	15.7
127.07549	3.5
131.08554	2.8
133.10114	89.2
151.11163	61.9
169.12238	11.9
179.10625	2.4
196.97281	2.3
215.12761	5.8
239.23709	6.0
253.14340	60.6
282.14743	2.6
313.27551	2.8
330.31012	2.4
509.32492	5.6
509.38409	100.0
510.38745	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	510.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	3.8
55.05506	4.7
57.03425	1.8
62.06109	0.7
67.05499	6.9
69.03420	1.3
69.07042	4.9
70.11936	1.2
70.12343	2.6
71.04992	0.9
76.61651	0.7
79.05475	6.7
81.03410	1.7
81.07050	22.2
83.04976	4.1
83.08604	2.9
85.02864	1.1
91.05473	3.8
93.07037	6.9
95.04954	2.4
95.08604	6.6
97.02879	0.8
97.06507	1.9
97.10130	0.7
103.05478	0.7
105.07020	3.0
107.04926	1.4
107.08572	5.0
108.08872	0.8
109.02856	0.7
109.06501	9.4
109.10159	4.1
111.03719	1.2
111.04433	16.6
111.08085	1.1
117.07027	1.4
119.08578	6.2
121.06515	1.4
121.10142	4.2
122.10513	0.7
123.04414	2.4
123.08067	1.6
123.11687	1.8
125.05963	5.2
125.09597	1.3
129.06975	0.7
131.08560	3.0
132.87016	0.8
133.10127	4.3
135.08054	4.1
135.11676	4.5
137.05962	100.0
137.13263	1.7
137.91658	0.7
138.06297	1.8
143.08537	1.4
145.10094	1.4
147.04453	1.1
147.08037	1.9
147.11684	5.7
149.09631	3.7
149.13255	1.2
151.03899	1.1
151.07549	3.3
151.11113	1.4
152.74916	0.7
153.01814	2.4
153.09096	0.8
157.10120	1.5
161.09583	6.4
161.13268	1.9
163.11162	3.1
163.14836	1.0
165.09128	2.4
165.12895	0.9
167.10603	0.8
171.11723	1.3
175.11180	4.8
175.14838	0.8
177.12662	1.4
179.10623	2.8
189.05450	0.9
189.12802	1.7
193.08580	1.3
193.12242	2.4
203.10666	1.7
203.17903	5.7
213.16374	2.0
216.06250	1.3
221.05847	0.8
221.08089	0.8
221.18982	2.3
223.89072	0.7
231.10172	1.2
231.17416	7.7
233.08060	1.8
235.13240	1.5
241.15791	1.0
243.06880	0.7
247.09619	2.1
249.18471	6.9
252.04196	0.8
253.04402	1.5
254.60054	0.7
257.04321	0.9
262.11777	1.0
263.12799	16.4
268.03458	0.7
268.06778	0.7
269.04019	1.4
277.17963	49.4
278.18164	1.3
280.03708	1.6
281.04007	2.8
282.04807	0.8
295.19016	15.2
297.03815	1.6
298.04358	1.6
299.05106	1.9
311.05487	1.5
311.09085	1.2
312.05746	1.8
312.09363	1.5
314.03888	0.8
320.22308	3.3
324.05887	1.8
326.04135	6.6
327.04474	10.2
328.04996	0.7
341.06589	9.6
342.06882	20.4
343.07135	1.6
351.21637	62.0
352.21930	2.4
369.18069	1.5
369.22711	28.9
370.23111	1.5
431.18201	1.2
432.08072	0.8
458.56604	0.7
459.51025	0.7
464.10464	2.2
492.23801	1.9
510.11075	17.5
510.24377	1.3
511.11176	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01863	1.6
55.05513	5.6
57.03422	2.4
67.05491	9.8
69.03399	1.4
69.07048	3.3
71.04977	2.3
71.32095	2.1
79.05486	10.6
81.03397	2.8
81.07046	11.3
83.04964	1.9
83.08590	2.6
83.20288	0.9
85.02851	1.6
85.06516	1.8
85.07791	0.9
91.05471	7.4
93.07032	10.8
95.04977	8.6
95.08608	6.0
97.06492	1.8
97.10162	2.7
98.44245	1.0
103.85373	1.0
105.07040	7.5
107.04939	4.2
107.08578	5.9
109.06499	4.9
109.10130	2.7
111.04453	1.7
111.08045	1.1
113.05966	1.3
117.06980	2.3
119.01844	1.5
119.08535	3.7
121.06477	3.2
121.10111	3.0
123.04350	0.9
123.08079	1.4
125.09596	3.2
128.06163	1.2
129.07007	1.7
130.07773	1.7
131.08559	3.6
133.06438	1.0
133.10103	2.5
135.08046	1.7
135.11674	2.7
145.06439	1.6
145.10098	2.6
147.08038	2.1
147.11676	1.1
153.09122	1.2
157.10066	1.1
163.11166	3.0
167.10651	1.4
173.09633	1.2
175.11194	1.2
189.09055	1.0
189.11172	1.7
193.12260	1.5
199.13277	1.3
203.05211	2.2
205.12419	1.3
211.13254	2.7
219.13750	2.5
223.13338	1.0
227.12669	2.5
243.04703	2.2
245.06299	8.8
249.14784	1.9
287.03735	22.0
289.05267	100.0
293.17480	1.4
294.28104	1.0
349.21643	1.4
367.22720	4.0
385.23611	2.7
391.12393	1.0
397.48877	1.1
459.27274	3.2
465.24515	12.3
491.22501	4.5
509.23395	65.5
510.23569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01857	13.1
55.05510	60.5
57.03423	21.0
62.21842	5.1
67.05502	83.0
69.03426	11.0
69.07068	29.0
71.04979	22.8
71.52977	8.7
73.37490	4.8
79.05485	92.6
81.03401	27.8
81.07050	89.8
83.04971	16.5
83.08598	31.7
85.02905	12.2
85.06552	8.8
91.05463	62.4
93.06463	4.5
93.07033	100.0
95.04959	83.6
95.08604	57.4
97.02865	7.2
97.06516	19.7
97.10168	30.3
99.14079	6.3
105.07008	42.0
107.04943	63.2
107.08592	41.9
109.02917	8.9
109.05815	7.3
109.06514	76.1
109.10128	29.5
111.08052	10.1
117.07011	28.2
119.08590	38.9
121.06485	33.2
121.10129	43.9
123.04393	8.1
123.08070	10.3
123.11694	13.6
125.05978	8.2
125.09634	26.1
129.06995	14.6
131.08575	29.9
133.06470	8.6
133.10132	17.4
135.08032	24.2
135.11652	24.1
137.09610	8.9
139.11148	7.9
141.07019	5.6
143.08557	14.2
145.06491	13.9
145.10150	29.2
147.04434	9.2
147.08018	11.4
147.11661	17.0
149.09605	10.5
149.13336	5.2
152.69481	5.4
153.09088	5.7
157.10194	5.7
159.11737	7.6
161.09616	11.5
163.11174	28.3
164.64618	5.1
165.09088	65.3
166.09464	24.8
167.06955	6.0
167.10667	12.8
170.92668	5.0
171.10191	5.5
173.13260	11.0
181.12245	6.6
189.11217	21.0
191.14255	11.9
193.12186	14.7
199.13255	27.5
205.12262	7.9
211.13298	13.8
219.13777	36.9
223.13342	16.8
227.12753	34.6
237.14819	9.8
249.14896	7.6
273.14563	11.5
273.17004	18.2
284.29147	5.2
293.17365	24.3
349.21414	19.7
367.22708	37.1
385.23758	34.0
403.24777	16.0
417.26608	8.2
438.06940	5.2
459.27594	35.9
477.28183	14.6
491.29483	25.3
509.10782	19.5
509.26868	18.0
509.32358	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.52071	0.3
55.01854	0.4
55.36611	0.2
61.02919	0.3
65.03923	0.6
66.04708	0.5
67.01850	0.3
67.05497	0.6
69.03419	0.5
70.06571	1.1
71.13554	0.8
72.08144	0.4
74.15990	0.3
79.05479	1.0
81.03412	0.4
81.07050	1.8
83.00226	0.3
84.08138	0.3
85.02885	0.5
86.09718	0.6
91.05486	1.7
93.07043	0.3
94.03612	0.4
94.04177	3.7
95.04932	0.4
95.08585	0.5
97.02911	0.4
105.07021	0.3
107.04927	0.9
109.02907	0.4
109.06508	3.6
111.04447	0.3
122.02748	0.5
122.03635	6.8
127.03873	0.4
130.19460	0.3
135.04373	0.4
137.05968	43.9
138.06366	0.5
145.10124	0.3
149.05975	0.4
151.03870	0.7
153.01839	2.4
163.03957	0.4
167.07022	0.4
181.05011	0.3
210.06653	0.3
221.05971	0.5
237.05508	1.0
249.05476	0.3
252.04201	0.4
253.04901	0.7
254.05676	0.4
260.09198	0.4
261.99930	0.3
265.04974	1.7
266.05728	12.4
267.06354	1.7
268.03986	0.3
269.04382	0.5
277.05005	1.0
278.05704	1.0
279.06299	0.4
280.03598	1.0
281.04446	1.1
282.05295	0.7
283.05835	0.5
287.05902	0.3
293.04486	0.6
294.05215	13.4
295.05984	7.5
295.09363	0.3
296.06796	0.3
297.03979	1.8
305.04065	0.3
306.05106	2.1
307.05975	0.4
307.09375	0.3
309.03952	0.5
310.04648	1.0
311.05475	3.1
322.04709	13.1
322.08542	0.6
323.05389	2.5
324.06235	0.6
325.03290	1.8
326.04187	1.3
327.04990	1.3
332.60889	0.3
333.08707	0.6
334.04822	1.6
337.03543	0.7
339.04953	17.6
340.05759	14.5
341.06616	1.2
342.07153	0.5
345.07590	0.5
347.07617	0.8
351.05121	1.1
352.05649	1.4
355.08102	100.0
356.08545	2.6
359.08939	0.4
367.08109	4.7
369.07596	1.0
370.08307	0.4
371.09204	0.5
372.06177	0.8
373.07141	0.9
377.86182	0.3
383.05533	0.7
384.06277	2.1
385.06769	0.3
386.04135	0.5
387.08759	0.7
391.08267	0.4
397.07312	0.6
398.07809	1.0
399.08670	1.9
400.05817	1.3
401.06311	2.4
402.07266	0.3
405.09821	0.5
412.05527	0.5
413.06540	0.4
415.08020	1.9
416.08911	1.1
426.07556	0.4
427.08215	2.1
429.05847	1.9
431.11334	0.5
433.09290	0.6
441.09772	0.4
443.07465	3.2
444.08371	0.8
445.09311	0.6
458.09982	0.9
459.11130	1.7
461.08716	2.9
475.10074	1.5
476.10864	1.6
491.13342	25.0
492.13608	0.8
509.14432	29.4
510.14987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05504	4.8
55.37914	0.7
55.75144	0.6
57.03442	2.0
60.08220	0.7
65.03918	1.0
67.05497	8.0
69.03426	1.0
69.07059	3.4
71.04985	1.4
71.32777	1.9
79.05480	7.5
81.03410	3.2
81.07051	8.5
83.04977	2.8
83.08614	1.8
85.02893	1.6
85.06536	0.8
91.05467	7.6
93.07034	8.2
95.04956	5.9
95.08576	5.0
95.30471	0.7
97.02862	1.1
97.06500	1.5
97.10147	2.4
100.71423	0.8
105.06996	5.0
107.04945	3.5
107.08550	4.8
109.02844	0.8
109.06483	3.9
109.10142	2.6
111.04391	0.8
117.07006	1.3
119.04880	0.8
119.08562	2.9
121.06501	1.6
121.10125	2.9
123.04403	1.0
123.08070	0.9
123.11656	1.5
125.05979	0.9
125.09602	2.1
129.07010	1.7
129.15872	0.8
129.32610	0.7
131.08559	3.4
131.22380	0.8
133.06442	0.8
133.10114	2.9
135.08026	2.3
135.11691	1.4
135.76912	0.8
137.05899	1.0
139.11177	0.8
142.53891	0.8
143.08549	1.2
145.06450	1.5
145.10123	2.1
147.11719	2.2
149.09622	1.4
157.10104	0.9
161.09596	1.4
163.11194	2.3
166.29135	0.7
167.10727	1.0
171.11824	0.8
175.11180	1.3
185.04155	1.3
189.11212	1.1
193.12277	2.0
196.44357	0.8
199.13216	1.1
203.05301	2.5
209.11751	1.4
211.13287	2.2
219.13818	2.0
223.13217	1.4
225.11163	1.1
227.05240	1.4
227.12785	2.6
243.04762	2.0
245.06262	6.7
261.18100	0.8
271.04120	1.0
273.17075	0.7
287.03671	18.9
289.05261	100.0
290.05518	1.8
293.17429	1.4
349.21680	0.9
367.22693	3.2
385.23618	1.8
423.23422	1.1
459.27432	2.7
465.24512	12.1
466.25162	0.8
491.22311	7.9
491.29916	1.8
509.23404	71.3
510.23801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.7
55.05475	1.6
57.03409	1.0
57.07081	0.4
60.24018	0.4
65.03913	0.4
67.01842	0.3
67.05486	3.2
68.99747	0.6
69.03396	0.8
69.07034	0.6
69.70228	0.3
70.06585	0.3
70.49747	0.6
71.04957	0.5
79.05482	2.8
81.03381	1.2
81.07060	3.4
83.04934	1.6
83.08587	1.3
83.10246	0.4
85.02849	0.9
86.09681	0.4
91.05469	2.7
93.07032	2.5
95.04966	2.3
95.08560	1.6
97.02847	0.5
97.10111	0.9
105.07027	2.0
107.04921	1.3
107.08559	1.9
109.02829	0.4
109.06479	1.7
109.10108	1.0
110.03637	0.5
111.04375	1.0
111.13570	0.3
117.06966	0.7
119.08553	1.0
121.06455	1.3
121.10107	1.0
123.04371	1.1
123.11675	0.4
125.05936	0.5
125.09583	1.0
127.03798	0.4
129.06947	0.9
131.08496	0.9
133.10091	0.5
135.08014	0.4
135.11670	0.7
137.05952	1.8
141.28217	0.3
145.06425	0.5
145.10065	1.0
147.04420	0.5
147.11723	0.6
151.03917	3.6
153.01807	10.2
153.05536	0.4
157.10037	0.5
159.08060	0.5
159.11696	0.6
161.09618	0.4
163.03955	0.4
163.11116	0.6
165.09024	0.5
169.10048	0.5
171.02716	0.5
171.60841	0.3
173.09578	0.6
177.92584	0.3
187.03870	0.3
187.07561	0.4
193.12256	0.6
197.05945	0.5
199.13271	0.5
209.05891	0.4
209.11615	0.7
213.05444	0.9
219.13840	0.8
221.05981	0.9
224.04665	1.0
225.05510	0.8
227.12772	1.0
228.04181	0.8
229.04953	0.7
236.04646	0.8
237.05397	1.3
237.12610	0.4
238.06259	0.4
239.03250	0.5
239.07034	0.5
241.04898	1.2
242.05708	1.4
243.06450	0.4
249.05595	0.4
251.06964	0.4
252.04149	10.7
253.04895	1.8
253.08583	0.4
255.02856	0.5
255.06436	1.0
260.03198	0.6
261.11154	1.9
263.07175	0.5
264.04202	0.4
265.04938	2.3
267.06491	2.9
268.03613	2.1
268.07300	0.6
269.04388	3.6
269.07037	0.5
270.05154	1.5
279.06494	0.7
280.03659	11.0
281.04370	3.4
281.07733	0.8
283.05936	1.3
284.03152	0.5
284.06705	0.5
285.03714	1.1
285.07553	0.8
292.64285	0.5
293.04468	1.7
293.17499	0.6
295.05960	6.2
296.03110	5.4
296.06714	2.1
297.03940	5.5
297.07126	0.7
298.04715	9.2
298.08176	1.4
308.03058	1.3
309.03781	0.6
311.05438	7.6
311.09109	7.4
312.02679	0.7
312.06049	0.8
312.09726	0.6
313.03458	5.5
313.06973	1.0
315.06494	0.8
323.05450	10.1
325.03473	0.9
325.07013	0.5
326.04169	56.4
327.04547	1.8
328.05719	2.5
331.06052	0.7
332.06598	0.4
339.04904	0.5
340.05670	0.4
341.06519	100.0
342.07022	2.3
346.04752	0.6
351.97198	0.4
352.01981	1.2
359.05280	0.8
360.05981	0.6
361.07028	1.3
367.04349	3.6
367.22598	1.1
370.04736	0.6
371.05405	1.0
374.08279	0.4
385.06281	1.0
385.23904	0.5
387.04840	0.9
388.05502	1.7
401.06448	0.5
403.08087	2.6
413.06476	0.5
416.05231	1.6
417.05759	0.6
430.06979	0.7
431.07578	2.6
447.06848	0.5
448.07965	0.9
449.08652	0.7
459.27765	0.7
463.10217	9.7
465.11691	3.1
509.10721	56.3
510.11099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1286
Annotation	Syringetin 3-galactoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01851	0.8
57.03414	1.1
61.02898	1.7
68.99763	0.7
69.03429	6.7
69.24896	1.8
69.25318	2.2
71.04972	0.9
73.02885	0.7
81.03421	2.3
84.08108	0.5
85.02385	0.7
85.02899	13.7
86.09686	0.9
87.04462	0.6
91.03905	0.9
93.03381	1.1
97.02883	4.8
99.04399	0.9
102.46041	0.5
107.04943	0.8
109.02844	1.8
111.04420	0.7
120.08051	0.8
121.02830	1.4
127.03895	2.2
135.04385	0.8
136.07547	0.4
137.01381	0.6
137.02336	8.4
137.03322	0.4
145.04939	1.9
149.02333	0.9
153.05391	0.5
161.02318	1.6
163.03879	2.3
177.05385	0.5
179.03369	3.9
181.06438	0.7
187.03883	0.9
191.03336	1.0
199.07553	0.6
203.03378	0.6
205.04910	0.6
209.05922	0.4
219.02827	0.6
227.06979	1.2
231.02856	0.9
255.06528	1.7
261.03915	2.8
273.07272	0.7
283.06064	1.2
300.06012	0.4
301.06918	0.9
303.04968	0.4
305.03027	0.4
311.05414	2.1
329.06522	100.0
330.06784	3.2
331.07852	0.6
332.08380	0.5
333.05722	0.8
333.09131	0.6
342.84683	0.5
347.07581	69.5
348.07935	2.4
419.92740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01860	0.7
55.05496	1.5
57.03418	0.6
57.77339	0.4
59.95308	0.5
67.05496	3.2
69.03423	1.2
69.07053	1.3
70.06564	0.6
70.15926	1.4
71.04997	0.7
79.05490	3.3
81.03421	2.8
81.07055	2.6
83.04972	0.7
83.08606	1.2
85.02886	0.5
91.05470	3.2
93.07043	3.7
94.04182	0.5
95.04958	2.4
95.08586	1.8
97.02872	0.7
97.06508	0.8
97.10152	0.5
99.04452	0.7
105.03333	0.5
105.07009	2.6
105.35147	0.4
107.04943	2.0
107.08566	1.8
109.02879	0.5
109.06503	1.2
109.10128	1.5
111.04424	0.9
111.08071	0.6
115.99123	0.4
117.06964	0.8
119.04911	0.9
119.08566	1.8
121.02837	0.7
121.06466	1.0
121.10123	1.5
123.04399	0.9
125.09638	0.9
129.07056	0.6
131.08501	1.1
133.02847	0.6
133.06538	0.6
133.10104	1.6
133.84648	0.5
134.03694	0.7
135.04387	0.9
135.07953	0.7
135.11671	1.2
136.05167	4.4
137.02347	0.7
137.05956	4.4
143.08557	0.7
145.10095	1.2
147.04391	2.0
147.11690	1.1
149.02223	0.6
149.05959	0.6
149.09589	0.8
150.03122	0.8
151.03825	0.5
153.01799	7.2
154.02591	0.5
157.10127	0.6
161.02313	0.5
162.03123	1.1
163.03908	0.9
163.11131	1.6
164.04694	0.8
167.07050	0.6
171.02969	0.5
178.02791	0.5
181.04898	0.6
181.12238	0.6
193.12244	1.7
201.12903	0.5
209.11754	0.7
213.05478	1.9
216.04138	13.4
216.06117	0.9
227.12718	2.0
228.04108	0.9
229.04884	1.1
242.05736	1.9
243.06535	0.8
244.03664	1.1
245.04338	0.7
253.04903	1.1
257.04434	1.3
258.05267	1.5
258.23657	0.5
259.05981	2.3
267.16046	0.5
269.04407	1.4
270.05237	1.5
271.06000	2.7
272.03238	2.4
273.04010	0.6
274.04669	4.8
283.05927	1.1
284.03046	1.3
285.03824	1.2
286.04718	3.2
287.05463	25.3
288.05734	0.6
297.03894	1.2
299.05460	18.9
300.06094	0.6
301.03738	0.8
301.07123	3.2
302.04135	7.9
311.08902	0.5
313.03436	1.5
313.07074	1.2
315.04922	9.6
316.05670	1.3
317.06546	7.2
327.04980	13.4
349.06903	0.9
360.06088	0.6
361.06961	0.8
374.07639	0.5
375.08701	0.8
375.98444	0.5
377.06470	1.6
388.05630	0.6
389.06274	1.0
391.07919	1.0
403.08035	3.4
405.05618	1.0
419.07574	2.2
421.09149	0.7
431.07602	1.4
447.06982	0.6
448.08047	2.5
449.08521	1.3
463.10239	1.6
465.11746	6.4
476.07318	5.0
491.09509	7.4
509.10721	100.0
510.11191	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	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03932	4.2
55.05502	33.9
57.03436	9.6
57.07057	7.8
57.90847	1.8
59.04966	3.1
65.03921	4.9
67.05497	100.0
69.03399	2.7
69.07056	21.3
69.60144	3.9
69.60551	8.7
71.04969	4.2
71.08624	3.9
79.05486	35.5
81.03390	2.3
81.07043	74.3
83.04957	2.9
83.08611	17.3
85.06548	2.9
88.11465	1.6
91.05466	25.9
93.07033	37.3
95.04938	3.9
95.08597	48.7
97.06497	4.2
97.10155	17.8
98.21513	2.7
99.08072	3.3
101.92553	1.8
105.07007	21.8
107.08575	24.0
109.10141	62.2
111.08057	2.9
117.07008	7.3
119.08575	20.3
121.10128	20.1
123.11681	11.7
125.09615	16.2
129.06949	4.5
131.08548	17.3
133.10130	15.9
135.08008	2.3
135.11653	14.3
137.09583	2.4
137.13219	3.7
139.11125	3.8
141.16583	1.9
143.08600	4.2
145.10107	15.0
147.11673	15.9
149.13263	10.1
153.09143	1.7
153.47124	1.7
155.10645	2.5
157.10106	3.1
159.11665	9.3
161.13200	7.5
163.14784	5.1
171.11658	4.4
171.75822	1.6
173.11697	17.0
173.13248	11.2
175.14827	3.0
183.11797	2.2
187.14783	5.4
189.11194	13.9
193.12241	2.0
194.12631	2.5
195.00252	14.5
227.12767	12.2
229.14340	32.4
231.15825	2.7
243.21043	2.7
259.20468	3.3
261.22113	28.4
275.19815	2.0
299.23801	2.7
317.24594	3.1
333.24170	2.1
335.25702	20.3
377.45950	2.3
379.29846	3.2
397.30966	13.5
415.31870	10.0
433.32880	7.9
471.34634	3.7
489.28842	3.4
489.35635	46.7
489.42719	2.2
507.29471	1.9
507.36612	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90992	1.2
70.06576	1.0
70.86954	2.4
70.87326	2.1
83.87398	1.0
85.02887	2.9
92.46047	1.0
93.06998	1.3
99.59218	0.9
100.02223	1.1
103.05465	6.9
107.04898	1.5
120.08081	100.0
121.08381	1.7
123.08250	1.2
131.04919	2.6
135.04388	1.1
144.18365	1.1
145.05016	1.1
146.02629	2.0
149.05930	1.9
152.14328	1.1
153.32495	1.0
159.24496	1.0
163.03870	3.7
163.20708	1.0
166.08609	61.8
204.87009	1.0
219.01869	1.0
225.07498	2.1
234.76122	1.1
241.92097	1.2
341.04224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01861	0.3
55.05488	1.0
57.03386	0.2
66.62987	0.2
67.01820	0.2
67.05474	1.1
69.07047	0.4
70.12434	1.1
71.04948	0.2
79.05486	1.6
81.03379	0.6
81.07037	1.4
83.08593	0.5
85.02882	0.2
91.05472	1.3
93.07003	1.0
95.04929	1.1
95.08587	0.6
97.10183	0.3
98.21473	0.3
99.15512	0.3
103.80173	0.2
104.07444	0.3
105.03379	0.3
105.07012	0.8
107.04966	1.2
107.05606	0.3
107.08546	0.7
109.02879	0.3
109.06479	0.5
109.10139	0.4
117.06995	0.5
119.04879	0.4
119.08569	0.6
119.45869	0.2
121.02880	0.2
121.10117	0.3
123.04374	0.4
125.09627	0.4
129.06985	0.4
131.08522	0.6
133.02798	0.4
133.10060	0.4
135.04414	0.5
135.11716	0.3
136.05168	1.9
137.05936	0.8
143.08490	0.3
147.04384	0.5
147.07947	0.3
147.11646	0.4
149.05988	0.2
150.03120	0.4
150.06723	0.3
153.00574	0.4
153.01817	6.7
163.03857	0.5
171.04384	0.3
175.03873	0.4
177.05408	0.4
193.12268	0.4
203.03377	1.5
203.07034	0.3
209.11754	0.3
211.13205	0.3
213.05415	0.9
216.04161	47.0
217.04585	0.8
219.13823	0.3
223.02400	0.3
227.03436	0.3
227.12753	0.5
228.04247	0.2
229.04866	0.3
231.06488	0.9
241.04875	0.6
242.05659	0.7
243.06625	0.5
244.03639	3.7
257.04462	0.7
258.05206	0.6
259.06021	5.7
269.04337	0.4
270.05255	1.0
271.06024	0.5
272.03134	7.6
272.06290	0.3
274.04721	2.2
280.42377	0.2
283.06140	0.3
286.04660	0.7
287.05472	86.1
288.05890	1.3
299.05450	4.3
300.06262	0.5
301.06940	0.7
302.04156	4.0
313.03259	0.5
315.04956	9.9
315.08636	0.5
316.05695	1.0
317.06522	3.1
327.04968	6.2
341.06183	0.3
361.06940	0.5
377.06638	0.4
389.06332	0.5
391.08206	0.6
403.08209	1.0
405.05746	0.5
407.07581	0.5
417.06540	0.3
419.07541	0.9
431.07413	0.5
432.08453	0.5
433.09323	0.4
443.82819	0.2
448.07922	0.7
449.08606	1.1
463.09723	0.4
465.11813	3.5
476.07266	1.0
477.28256	0.4
491.09464	1.2
509.10742	100.0
510.11197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
53.90173	1.6
55.01863	1.9
55.05504	26.6
57.03427	6.0
57.07064	13.7
59.05004	2.3
65.03941	3.8
67.05496	100.0
69.03426	2.4
69.07058	20.5
69.84596	1.4
70.05356	2.7
70.05759	4.9
71.04977	3.9
71.08633	8.7
74.11032	1.2
75.10900	1.2
79.05485	34.8
81.07045	74.8
83.04970	3.7
83.08607	20.2
85.06537	4.9
85.10213	2.6
91.05466	22.6
91.06021	1.7
93.07036	35.4
95.04957	5.0
95.08591	44.2
97.06519	4.1
97.10152	15.7
99.08100	1.6
102.48988	1.2
105.07020	19.4
107.08584	29.7
109.06497	2.1
109.10143	61.4
111.08065	4.0
111.11668	1.2
113.09684	1.5
117.07030	7.4
119.08577	13.4
121.10133	16.0
123.11692	10.3
125.09617	9.1
129.07004	3.0
131.08546	11.4
133.10109	13.1
135.08057	3.2
135.11676	12.4
137.09622	3.0
137.13219	3.3
139.11198	2.4
143.08560	2.4
143.51385	1.3
145.10106	7.9
147.11688	10.2
149.13223	9.2
153.09125	2.4
155.10654	2.3
157.10133	4.0
159.11668	9.6
161.13231	6.1
163.14809	3.8
167.31735	1.5
171.11667	2.7
173.11722	11.1
173.13278	5.1
175.14809	2.6
177.12769	1.5
185.13213	2.5
187.14807	3.7
189.11159	8.7
189.16440	1.3
195.13763	2.4
199.14862	1.4
227.12743	10.2
229.14322	25.3
231.15862	2.1
239.23738	1.3
243.21077	3.0
259.20590	2.3
261.22101	18.5
317.24826	3.3
329.24802	1.3
335.25748	16.5
379.29941	4.3
397.30988	5.1
415.31848	5.8
433.33182	7.6
471.34537	4.0
489.35690	34.0
490.35489	1.6
507.36914	17.2
507.39261	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	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43780	1.3
53.03932	3.3
53.48481	1.2
55.01868	2.4
55.05507	28.3
57.03440	8.6
57.07071	7.3
59.04993	2.8
65.03938	3.4
67.05499	100.0
69.03413	1.5
69.07061	15.1
71.04974	4.1
71.08617	3.6
72.89777	1.2
79.05486	31.5
81.03416	3.3
81.07047	70.4
82.07339	1.3
83.04963	3.3
83.08614	18.5
83.51303	1.1
85.06527	4.4
85.10160	1.2
91.05468	20.2
91.06036	2.0
93.07032	35.7
95.04943	4.9
95.08598	44.0
97.06506	4.7
97.10150	14.8
99.08043	1.8
105.07027	14.5
107.08585	23.3
109.06499	1.9
109.10143	61.3
111.08079	5.0
113.09550	1.1
117.07001	7.4
119.08563	19.2
121.10126	20.4
123.08044	1.4
123.11691	9.9
125.09622	12.3
129.06985	3.0
131.08534	11.7
133.10117	12.8
135.08028	1.7
135.11667	14.5
137.09619	2.8
137.13246	4.4
139.11162	2.6
143.08548	2.4
144.09465	1.2
145.10120	10.6
147.11681	10.9
149.13237	10.1
153.09097	1.6
155.10643	2.7
157.10083	3.5
159.11678	9.2
161.13229	6.0
163.11201	1.2
163.14812	4.5
171.11646	3.2
173.11729	19.3
173.13261	7.9
175.14803	3.4
177.16425	1.5
183.11737	1.5
185.13182	2.4
187.14821	3.8
189.11205	10.1
189.12648	1.7
195.00299	12.0
201.16351	2.0
203.14366	1.2
227.12784	13.6
229.14325	32.9
231.15848	2.7
243.21092	3.7
249.18460	1.9
259.20517	4.5
261.22125	21.6
263.20261	1.4
263.23697	2.0
271.20517	1.7
279.22974	1.9
286.96075	1.2
289.21613	1.8
303.23087	1.5
313.27393	2.9
317.24698	3.8
331.07840	1.5
333.24289	1.3
335.25769	24.0
345.23709	1.6
379.29709	3.7
397.31079	9.2
415.31949	10.7
428.44128	1.2
433.32993	5.9
471.34558	4.6
477.19272	1.8
489.35684	40.5
490.35983	1.7
507.36578	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	507.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.2
65.03900	0.3
65.45877	0.2
67.05459	0.4
69.03385	0.4
69.07018	0.3
69.45232	1.2
69.45644	0.2
70.06550	0.3
71.26839	0.2
72.08145	0.2
79.05454	0.4
81.03361	0.4
81.06998	0.6
85.02836	0.5
86.09644	0.6
91.05434	0.4
93.07005	0.2
95.04919	0.2
95.08524	0.3
97.02830	0.2
97.06458	0.2
98.20791	0.3
101.05959	0.2
105.06975	0.3
107.08523	0.3
109.02862	0.2
109.10098	0.2
119.08504	0.3
120.08027	0.7
121.10107	0.4
123.07976	0.2
127.03812	0.2
130.06374	0.2
136.07541	0.2
137.02252	0.3
142.02534	0.2
145.10185	0.2
151.03847	0.2
153.01733	0.6
154.02498	0.5
163.03833	0.2
175.03809	0.2
177.05402	0.2
178.02539	0.7
181.04942	3.0
199.13219	0.2
213.05537	0.2
227.38744	0.2
237.05289	0.2
241.04926	0.3
242.05714	2.7
253.05020	0.2
258.05203	1.8
259.05920	0.2
269.04486	0.2
270.05228	10.2
273.03909	1.0
285.03690	0.3
286.04776	1.3
287.05475	4.4
298.04828	0.9
299.05457	0.8
301.03430	2.0
302.04172	2.8
313.03494	1.0
315.04962	42.5
316.05719	11.9
316.09598	0.2
317.06351	0.3
327.08533	0.5
331.08090	100.0
332.08392	2.6
342.55353	0.2
345.09589	1.2
359.11337	0.3
507.04370	0.4
507.11374	3.1
520.77759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1487
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
69.38631	1.0
69.39044	0.4
70.06536	0.7
84.08094	0.2
85.02878	0.2
86.09629	0.4
97.02855	0.3
129.10225	0.2
134.75476	0.2
135.18355	0.2
137.02325	1.2
151.03819	0.3
153.01752	0.7
163.03821	0.4
165.01880	0.3
167.03310	0.3
171.88776	0.2
178.06351	0.2
181.04913	0.3
192.04053	0.2
192.06552	0.3
194.09927	0.2
195.02972	0.2
205.03152	0.2
205.04987	0.2
213.05434	2.0
217.05002	0.2
227.45493	0.2
229.04929	0.4
241.04860	0.6
255.06587	0.2
256.07217	0.9
257.04346	0.4
259.06000	0.6
269.04376	0.7
272.03787	0.2
272.06628	1.3
283.05936	0.4
284.03574	0.4
284.06744	7.1
285.07352	0.4
286.04657	0.6
287.05487	3.1
299.05408	0.5
300.06229	1.2
301.07050	2.5
302.07632	0.5
303.04590	0.2
311.05499	0.3
312.06018	0.3
313.06982	0.7
314.04160	2.2
314.07593	0.2
315.04865	2.3
316.05710	2.3
327.04910	0.5
328.05032	0.2
328.08521	0.2
329.06516	29.7
330.07251	12.6
331.07755	0.6
339.07028	0.3
345.09647	100.0
346.09998	2.4
369.07782	0.4
387.08832	0.4
393.08090	0.2
411.09109	0.3
435.09091	0.2
453.09384	0.3
471.10806	0.3
489.11896	0.4
507.14243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
54.28908	1.1
55.01860	2.3
55.05505	27.6
57.03428	6.3
57.07067	16.5
59.04993	1.9
63.33360	1.2
65.03925	3.9
67.05494	100.0
69.03413	1.5
69.07057	21.0
71.04977	4.2
71.08617	13.7
79.05480	38.4
81.03401	3.8
81.07043	75.7
83.04967	2.8
83.08605	21.4
85.06538	3.4
85.10172	6.7
91.05462	21.8
93.07032	40.5
95.04954	6.0
95.08591	54.7
97.06563	5.7
97.10157	18.2
99.08099	3.0
105.07008	16.6
107.08575	29.4
109.06515	2.4
109.10140	45.3
111.08062	5.8
116.91429	1.5
117.06994	9.3
119.08566	15.1
121.10117	15.7
123.08016	1.8
123.11711	10.9
125.09578	8.1
129.07022	1.9
131.08548	13.6
133.10103	15.0
135.08006	2.8
135.11667	12.7
137.09616	1.7
137.13239	3.9
139.11163	1.8
143.08511	1.5
145.10106	7.9
147.11653	8.1
149.13248	12.6
153.09029	2.0
155.10638	1.9
157.10095	2.8
158.31639	1.3
159.11644	10.3
161.13271	4.5
163.14833	4.6
171.11653	2.9
173.11723	9.6
173.13248	7.7
175.14699	1.4
177.12695	1.8
185.13228	2.6
187.14777	1.9
189.11226	7.3
191.47774	1.2
195.13908	3.8
206.55989	1.3
227.12819	7.8
229.14296	20.8
231.15869	1.6
239.23604	3.1
243.21136	2.8
259.20630	2.3
261.22122	18.4
263.23853	1.6
279.23013	1.7
313.01926	1.1
317.24673	5.0
333.24234	1.2
335.25690	16.6
379.29974	1.9
397.31039	5.6
415.32004	6.3
433.33347	5.7
435.30533	1.6
471.34674	3.0
489.35678	30.5
507.39975	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	507.2712
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03930	4.1
55.05506	16.7
57.03434	10.3
57.07071	1.6
63.21705	1.6
65.03925	1.7
67.05497	49.8
69.07063	13.7
69.51381	12.9
79.05070	2.9
79.05484	31.7
81.07044	51.3
83.04963	1.8
83.08596	5.4
85.06517	1.6
91.05461	18.8
91.41468	1.6
93.07027	42.5
94.75699	1.8
95.04961	3.0
95.08590	35.5
97.06521	1.9
97.10128	2.7
98.57378	1.6
98.98452	67.3
99.08028	2.3
105.07024	12.9
107.08572	20.3
109.06494	2.1
109.10146	15.3
116.99516	2.2
117.06999	3.6
119.08543	12.2
121.10129	15.0
123.11671	4.3
131.08562	9.0
133.10120	9.9
135.11682	11.9
144.91141	1.6
145.10083	6.0
147.11662	5.5
149.13216	6.9
155.01016	20.9
159.11667	4.5
161.13211	5.8
163.14780	4.4
173.02078	7.8
173.13234	4.6
175.14886	3.8
187.14784	2.6
206.43877	1.7
228.87787	1.9
229.04810	2.5
243.21037	8.5
247.05693	4.0
261.22104	17.6
287.12320	1.6
317.24802	9.3
335.25751	100.0
336.26254	2.4
423.47543	1.7
430.40594	1.7
461.06451	1.5
471.24878	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	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28208	0.7
61.02923	1.2
69.03419	2.4
70.06579	1.8
71.52139	1.2
73.34437	0.8
81.03384	1.1
81.61247	0.8
84.30424	0.9
85.02895	11.4
91.03887	0.8
91.05456	7.6
97.02864	4.0
98.96009	0.8
109.02843	0.9
119.04121	1.6
119.04929	19.7
123.04399	1.3
126.36382	0.9
127.03901	2.8
134.19791	0.9
145.04947	4.1
147.04390	100.0
148.04736	1.4
163.05997	1.2
165.05458	52.2
166.05717	0.9
180.08652	1.9
189.16982	0.8
446.83200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
56.05035	1.3
57.03414	1.0
58.06589	1.1
60.08155	16.1
67.05499	6.6
67.20915	0.6
69.07048	3.0
71.07362	6.7
71.13716	1.1
71.14036	0.8
72.08145	2.0
79.05477	2.2
81.07043	5.6
83.08624	0.7
86.09696	56.4
91.05459	1.4
93.07014	2.3
95.04997	0.7
95.08588	3.5
98.98452	5.2
104.10730	97.5
105.06980	1.1
106.72749	0.6
107.08582	1.4
109.10136	2.5
119.08561	1.5
119.97525	0.6
120.08087	10.1
120.08926	0.9
123.11688	0.7
124.99991	30.0
128.26152	0.6
129.70740	0.6
133.10146	1.3
144.48375	0.6
159.11697	0.7
163.01508	0.8
171.02829	0.6
173.11821	0.8
173.13324	0.8
184.07321	100.0
185.16580	1.6
202.63141	0.6
204.49408	0.8
217.19482	0.8
229.14290	0.8
233.16466	0.9
235.20535	1.4
247.14366	1.3
252.50999	0.6
253.15326	0.7
258.11026	1.0
261.15939	1.4
267.15137	0.8
280.65588	0.6
295.14352	1.4
323.25729	1.5
329.59338	0.6
334.24432	0.6
379.60480	0.6
444.77325	0.8
488.31277	8.6
506.32309	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1129
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
64.33106	0.1
66.51349	0.1
68.03894	0.1
69.78583	0.5
70.58440	0.1
85.09128	0.1
99.05332	0.1
102.11655	0.1
113.63965	0.1
130.50287	0.1
137.02252	0.1
153.01747	0.3
154.02512	0.3
172.94205	0.1
178.02621	0.5
179.06860	0.1
192.91849	0.1
203.03246	0.2
213.05424	0.1
214.06154	0.2
218.28891	0.1
241.04854	0.3
242.05669	1.7
255.02805	0.1
258.05161	1.8
269.04330	0.2
270.05185	8.4
271.05753	0.3
273.03912	1.2
285.03912	0.1
286.04709	1.2
287.05450	3.7
298.04614	0.2
299.05554	0.6
301.03403	1.7
302.04160	2.1
313.03189	0.7
315.04932	33.4
316.05701	4.0
331.08066	100.0
332.08438	1.5
373.03888	0.1
480.10889	0.1
507.11353	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1131
Annotation	Tricin 7-glucuronide
Peak:m/z	Relative Intensity
68.99780	0.4
69.03428	2.3
69.07024	0.4
70.06579	2.2
70.92541	0.8
72.08130	0.4
73.02885	1.1
82.13725	0.4
83.04964	0.4
83.95429	0.3
84.08125	0.8
85.02898	2.6
86.09663	1.0
91.05470	0.4
92.60856	0.4
93.03371	1.4
95.01319	0.5
97.02878	0.5
103.03893	0.4
111.04402	1.1
113.02341	0.6
120.08070	0.6
123.04360	0.8
129.10156	0.5
131.03325	0.4
135.04398	0.8
137.02322	3.8
145.02805	0.5
147.04384	0.6
149.02333	0.4
151.03870	1.0
153.01842	2.0
153.72733	0.4
155.03276	0.5
159.02856	0.4
161.02336	2.3
163.03836	0.4
165.98953	0.4
169.04961	0.7
173.12888	0.4
179.03381	16.3
197.04466	1.9
203.03436	0.9
215.03395	0.6
241.04938	0.5
242.05728	0.7
243.06496	0.3
245.04372	2.8
253.04971	3.0
269.04407	0.7
270.05261	0.9
271.05936	2.6
281.04407	2.1
282.05231	0.5
285.07645	1.7
287.05502	0.7
289.03641	0.6
289.07056	0.8
295.06015	1.6
297.81616	0.4
298.04947	0.4
299.05481	9.6
313.07028	100.0
314.07498	2.2
315.05215	0.6
316.05844	0.6
327.04941	0.5
331.08087	73.9
332.08380	1.3
345.06018	14.7
345.09573	1.0
489.09805	0.7
507.11197	4.8
507.31219	0.6
512.39600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01828	6.2
55.05504	88.0
57.03392	4.9
57.07074	15.7
59.04957	1.4
65.03905	3.5
67.05497	86.3
67.05833	3.5
69.03421	8.8
69.07060	26.2
69.19769	14.9
70.49390	1.4
70.67136	1.3
71.04945	3.6
71.08630	7.4
79.05483	75.2
79.05910	2.4
81.03407	23.6
81.07047	88.3
83.04967	7.1
83.08606	53.5
85.06487	4.4
85.10123	5.2
91.05468	37.0
93.07031	65.6
95.04958	13.7
95.08597	58.4
97.06484	3.6
97.10157	85.9
101.09592	2.2
104.55412	1.2
105.04433	1.3
105.07024	22.1
107.04890	1.4
107.08582	59.7
108.17249	1.5
109.06458	3.4
109.10145	25.3
111.08005	4.0
117.07010	10.0
119.08582	20.0
121.10126	28.4
123.11693	8.6
125.09616	69.6
129.06885	3.9
131.08556	16.5
133.10127	13.7
135.08037	7.3
135.11676	20.7
137.13188	2.1
143.10580	4.4
145.10109	10.7
147.08034	1.7
147.11691	10.3
149.09552	2.1
149.13229	11.2
153.08984	5.1
157.10017	2.6
159.11670	9.3
161.13208	6.6
163.14749	3.8
171.10031	6.2
171.11340	1.5
173.13206	7.0
175.11105	1.6
175.14760	2.8
177.16302	1.5
187.14772	2.9
189.11198	68.5
193.12201	16.7
195.00298	15.4
219.27995	1.5
227.12756	51.3
229.14304	1.5
239.23630	2.5
243.21016	7.9
245.13699	5.8
261.19534	2.5
261.22098	36.7
295.49066	1.2
311.25415	2.2
317.24472	5.7
333.24152	2.3
413.30048	3.3
431.31235	3.1
448.92526	1.5
477.71460	1.3
487.34409	8.9
505.34644	100.0
506.34906	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	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05501	16.9
57.03423	3.5
57.07066	47.1
57.42608	1.9
58.03002	2.1
67.05495	49.8
68.17570	2.0
69.07061	16.5
69.28123	21.8
71.08627	35.4
79.05479	24.0
81.02927	5.0
81.03408	100.0
81.07043	42.1
83.04977	4.8
83.08609	35.1
85.10170	18.0
91.05463	24.5
93.07028	13.4
95.04951	27.4
95.08592	38.5
97.06535	2.2
97.10121	11.4
99.08091	4.3
105.07006	17.0
107.04955	4.7
107.08614	6.7
109.06499	3.8
109.10146	21.7
111.04449	3.0
111.08099	8.3
111.11693	2.9
114.00536	2.3
117.06981	3.1
119.08551	12.8
121.10133	11.5
123.08158	3.0
123.11733	7.6
125.09637	2.6
129.06952	11.1
131.08601	9.4
132.34706	2.2
133.06516	4.9
133.10185	4.2
135.11694	3.9
137.13249	3.2
147.08087	3.3
147.11716	6.6
149.09653	6.2
151.14899	2.4
157.10162	7.6
161.13284	2.5
175.11279	9.1
179.14349	6.8
193.12224	55.7
198.58722	2.3
239.23813	8.7
249.14951	7.7
277.21671	4.0
471.77151	2.5
505.39066	82.7
506.39505	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	505.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02005	0.3
53.03932	0.6
55.01854	0.8
56.51600	0.4
59.04395	0.3
67.05482	0.7
69.03413	0.3
69.07037	0.3
70.06592	0.5
70.12134	1.4
71.04494	0.4
71.04971	0.5
76.03994	2.0
78.23260	0.3
79.05486	3.2
81.03407	0.5
81.07055	1.0
84.04501	4.5
84.08112	0.4
85.02897	0.5
85.04033	1.3
86.09739	0.3
89.59834	0.3
91.05469	10.7
92.01699	0.7
93.07006	0.6
95.04988	0.9
95.08597	0.6
99.05556	0.9
103.05441	2.2
104.06256	0.6
105.07019	67.0
106.06543	0.6
106.07336	1.2
107.08621	0.5
108.08089	0.4
109.07636	0.4
109.10166	0.7
111.08031	0.3
119.08590	0.9
126.03721	1.6
130.04974	2.7
131.04524	1.0
131.08557	1.1
145.06097	0.9
153.06519	0.5
160.00514	0.4
177.03282	3.7
177.05614	0.4
180.04704	0.5
181.06064	0.6
182.09637	13.5
185.03778	2.2
196.11134	0.7
197.11972	21.9
198.12747	6.1
200.14320	1.5
230.09953	100.0
231.04337	6.0
231.10197	2.3
232.11537	2.1
256.11536	7.2
273.14221	1.7
283.12665	2.1
284.11011	12.2
285.11200	0.4
288.06445	0.6
301.07385	0.5
301.13702	5.4
339.15121	2.0
372.76398	0.3
376.16824	4.9
410.73355	0.4
412.16870	1.2
462.09140	0.5
505.20840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	32.0
67.05494	36.2
69.03412	15.9
69.07047	19.9
69.81905	11.7
70.05824	34.4
70.06214	20.5
79.05489	21.3
81.03419	21.9
81.07048	57.6
85.02896	37.5
91.05472	27.0
93.07036	83.6
95.04993	16.2
95.08593	62.1
97.02882	19.5
97.06513	12.4
98.20890	10.4
99.04446	11.8
105.01839	16.6
105.07031	68.3
107.08613	60.6
109.02857	15.0
109.10149	100.0
111.08015	13.3
119.08588	55.6
121.10138	38.9
123.11681	26.8
127.03888	25.6
133.10123	34.9
135.11662	60.8
145.02887	9.9
145.04974	12.4
145.10089	15.9
147.04440	19.9
147.11670	48.1
171.45135	10.5
184.42093	10.2
203.17973	95.3
221.19032	10.7
300.05948	13.0
394.47922	11.4
401.99884	9.6
504.30322	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	505.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01843	0.9
55.05500	0.6
57.03401	0.4
61.02913	0.4
67.01847	3.3
67.05492	0.8
68.99792	1.9
69.03413	1.9
69.07039	0.7
69.36966	3.1
71.04967	0.7
73.02924	0.5
77.71455	0.5
79.05470	1.8
81.03410	2.4
81.07056	2.1
84.04498	0.5
84.08127	0.5
85.02898	4.2
87.00823	1.2
91.05472	2.2
93.07027	1.6
93.35127	0.4
94.07375	0.5
95.04948	1.3
95.08585	1.4
97.02876	2.0
99.04429	1.0
103.05469	4.6
105.01835	1.0
105.03374	0.6
105.07031	2.9
107.04948	1.8
107.08567	1.0
109.02898	2.1
109.10134	1.5
119.08570	1.0
121.06513	0.5
121.10102	1.1
121.45144	0.5
123.04385	1.2
124.90990	0.4
127.03900	3.3
129.01855	0.9
131.04916	16.8
137.05965	0.8
145.04991	0.8
145.06284	0.5
147.04379	0.8
147.11688	0.7
150.39517	0.5
151.03847	1.4
153.01811	52.3
154.78128	0.4
159.02829	1.1
163.03883	0.6
171.02872	28.5
173.06000	1.0
177.05566	0.5
182.09656	1.7
191.07004	0.9
195.02795	0.7
197.12053	2.2
215.07039	1.5
230.10001	2.6
239.07143	0.5
257.08063	100.0
258.08353	1.1
299.09238	0.7
301.13638	0.5
309.09720	0.4
392.27829	0.4
407.13702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	13.6
61.06936	8.9
63.11375	8.6
67.01826	11.2
67.05491	38.7
69.07060	16.3
69.34688	83.2
79.05472	28.9
81.07050	57.7
83.04956	13.8
83.08604	11.8
83.89959	9.6
91.05473	41.0
93.07027	100.0
95.04946	11.9
95.08592	56.4
97.02842	9.2
105.07015	54.0
107.08568	65.5
109.02838	9.3
109.10152	95.4
110.97063	8.9
111.08030	20.7
119.08563	42.9
121.10119	41.0
123.11673	24.0
131.04889	12.0
133.10107	17.5
135.11674	62.4
141.45599	9.1
147.11678	51.6
153.01788	35.1
159.60240	8.6
161.13159	14.3
171.10149	12.0
177.05484	12.5
193.46910	9.5
203.17944	54.2
244.12225	8.5
245.88231	8.6
257.05161	10.7
257.08047	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81036	6.0
55.01860	12.6
55.05492	19.9
57.03445	7.3
57.18092	5.9
67.05491	23.9
69.03426	37.8
69.07056	21.8
69.37496	61.0
71.04976	13.4
73.02897	9.2
79.05486	21.0
80.11488	5.6
81.03402	36.3
81.07044	69.2
83.08627	11.2
85.02900	59.3
87.00817	22.5
91.05425	30.5
93.07034	67.2
95.04967	10.0
95.08604	79.3
97.02886	19.3
99.04446	16.8
104.42565	6.6
105.01852	24.4
105.07030	84.2
107.04942	11.6
107.08589	76.3
109.02850	27.2
109.10141	57.7
117.06924	8.4
119.04975	8.3
119.08575	53.4
121.10155	34.5
123.11732	10.0
127.03902	48.9
130.94934	6.4
133.10161	38.2
135.11684	25.5
145.04945	23.6
147.04446	20.2
147.11703	54.0
150.46564	6.1
159.02878	9.9
161.13228	29.5
163.14806	9.2
165.12790	7.2
175.14856	9.0
181.05016	11.7
182.05273	14.4
203.17920	100.0
221.19057	7.0
231.04974	15.6
285.10208	9.7
313.19254	6.9
385.19302	7.2
399.93265	6.4
497.78232	6.4
504.29474	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	503.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
54.04489	0.8
55.01860	2.2
55.05505	44.5
57.03420	1.8
57.06799	1.0
57.07072	13.4
65.03923	1.2
67.05496	26.3
69.03417	3.6
69.07059	39.5
70.12529	2.0
70.12920	1.9
71.04984	2.5
71.08625	11.6
79.05479	20.3
81.03407	90.3
81.07044	32.0
82.03734	1.1
83.04968	2.5
83.08607	54.2
85.06530	3.0
85.10171	3.1
91.05457	21.6
93.07038	16.4
95.04958	25.8
95.08595	11.4
97.02908	2.3
97.06513	2.5
97.10151	30.3
98.98486	1.4
101.36877	0.9
105.07020	19.5
107.04946	6.0
107.08573	8.6
109.06499	2.7
109.10139	4.9
111.04408	2.0
111.08078	8.7
111.11705	12.2
117.06998	3.2
119.08572	14.6
121.06480	2.2
121.10136	7.2
123.08065	0.9
123.11710	2.2
125.13258	1.4
129.07004	9.7
131.08560	10.2
132.34482	1.0
133.06490	2.6
133.10097	6.8
135.11681	3.1
137.09615	2.6
142.07784	2.3
143.08565	1.4
145.10118	3.2
147.08061	3.0
147.10687	0.9
147.11661	6.3
149.09624	3.9
151.11176	1.2
157.10086	7.6
159.11690	1.5
161.13300	1.3
163.11191	0.9
165.12701	1.3
167.05515	1.2
173.13196	1.0
175.11171	9.4
175.14839	0.9
179.14272	1.1
185.13318	1.6
187.13255	2.2
193.12215	36.6
202.94009	3.8
211.13347	1.0
237.22147	3.2
249.14868	6.5
299.06369	1.0
324.32535	1.2
331.26422	1.6
335.16666	1.1
399.31494	1.0
405.30081	1.2
411.32486	1.0
429.33472	1.6
485.36139	2.1
503.37289	100.0
504.37671	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	1.0
55.05505	6.1
57.03416	3.6
57.07066	6.9
59.04993	1.0
60.04492	1.1
61.02921	5.8
69.03426	11.3
70.06588	8.8
70.87650	2.0
71.04964	2.4
72.08139	3.0
73.02908	1.4
74.06041	1.2
80.56643	0.9
81.03385	4.2
83.08597	2.8
84.04453	1.4
84.08121	2.5
85.02897	51.7
86.09690	7.6
87.04432	1.5
89.05495	1.5
89.06022	26.5
91.03937	3.4
97.02884	18.0
97.06459	1.5
99.04426	2.6
101.09649	10.9
107.07061	29.6
109.02884	6.0
123.04398	1.1
127.03911	13.7
129.10207	1.6
137.05975	1.1
139.03853	2.3
144.41373	1.0
145.02745	1.0
145.04935	17.5
147.04402	1.5
157.13382	1.2
161.09198	1.1
163.06061	4.7
163.13278	100.0
173.12778	1.1
258.45807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85359	11.3
55.01865	14.9
59.83604	14.6
66.04192	14.4
67.05491	51.1
69.03397	26.8
69.07047	29.0
70.06599	15.8
71.19877	13.0
71.32546	17.6
71.32880	20.4
73.60670	12.7
75.11390	12.1
76.03989	14.6
79.05470	19.6
81.03418	27.0
81.07043	71.5
83.08629	15.8
85.02882	38.0
87.00827	13.7
87.63898	12.1
91.05447	27.8
93.07053	72.4
95.04963	22.4
95.08588	47.6
97.02855	21.4
105.01882	13.6
105.07015	57.8
107.08578	40.7
109.02848	24.7
109.10172	100.0
116.64651	13.4
119.04911	20.6
119.08549	45.4
121.10125	35.6
123.11707	14.2
127.03887	15.7
133.10129	31.4
135.11671	31.8
137.46831	15.1
147.04381	28.6
147.11613	42.2
186.89799	12.9
203.17908	60.0
241.83014	12.1
272.07056	13.8
275.53104	13.2
300.06107	15.8
404.09058	13.4
487.21124	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	503.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14270	1.3
53.00297	2.6
53.03936	4.4
55.01871	6.8
57.03419	3.6
69.03422	8.7
70.06594	3.8
70.78044	4.1
71.01349	2.3
71.04980	4.5
72.08159	2.1
73.02904	4.6
76.82732	1.4
81.03412	21.4
84.04503	3.4
84.08140	2.1
85.02905	20.3
86.09704	13.9
90.30131	1.2
91.05447	1.6
96.21674	1.3
97.02885	61.4
99.00802	20.9
99.04446	31.3
99.05040	2.6
102.05556	3.0
104.34795	1.5
107.04948	58.1
109.02872	100.0
117.01839	2.4
119.04935	4.5
121.02885	2.3
123.04414	1.7
127.03903	30.9
131.04887	2.4
137.02342	1.6
137.05933	6.9
143.04916	2.0
145.04947	26.4
145.06282	1.6
145.06468	1.3
147.04442	3.7
149.05956	1.5
153.06979	1.4
155.08543	3.2
163.03911	2.0
165.07014	8.9
167.05634	2.2
177.05527	1.7
178.07722	1.5
181.06497	2.8
182.07298	1.8
183.08020	13.8
203.07068	2.3
207.08025	8.7
211.07492	12.4
215.13893	2.9
227.06976	1.6
228.07817	8.5
234.06702	3.4
235.07538	16.2
242.09355	10.5
243.05011	4.5
243.10187	16.5
243.13400	2.9
252.07936	2.0
253.08640	3.5
261.06012	10.7
261.14423	2.4
262.06281	5.3
263.07047	10.3
264.07806	1.8
267.10196	6.6
277.08453	8.0
280.07303	2.3
286.61130	1.6
295.09671	25.1
296.10193	1.4
299.06079	2.4
307.42288	1.5
307.46194	1.7
323.09076	15.6
324.09604	1.8
341.10175	17.5
347.27542	1.4
490.13998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14732	0.5
69.03395	1.3
70.82675	1.8
83.76471	0.6
85.02881	2.5
88.19409	0.5
97.02873	0.8
102.84245	0.7
127.03930	1.1
145.04915	1.0
161.05531	1.2
170.06064	1.0
181.02475	0.6
185.02806	0.6
217.21378	0.6
226.03758	0.5
242.08133	0.9
245.04997	0.9
251.08772	1.0
321.10379	1.2
403.14636	1.2
488.14053	1.2
503.16364	100.0
504.16830	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	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03935	5.8
55.01865	2.0
55.05505	45.1
57.03424	2.9
57.07074	13.3
59.05008	1.1
65.03927	2.3
66.04636	1.1
67.05499	35.2
69.03421	2.8
69.07061	45.6
70.13636	4.9
71.04974	2.3
71.08635	7.6
73.24335	1.0
79.05486	23.6
81.03410	83.1
81.07046	47.7
83.04972	3.7
83.08611	52.0
85.06529	4.1
85.10169	4.9
89.06039	1.2
91.05462	26.6
93.07032	21.0
93.33327	1.0
95.04955	22.9
95.08598	14.9
97.02916	2.6
97.06509	1.6
97.10162	27.4
100.62443	0.9
101.75198	1.1
103.05495	1.0
105.07024	17.4
107.04930	5.1
107.08566	7.6
109.06516	3.5
109.10136	5.6
111.08064	7.7
111.11699	9.6
115.05435	1.7
117.07000	3.2
119.08571	14.8
121.06490	2.8
121.10141	8.8
123.08067	2.3
123.11684	3.8
125.09538	1.1
125.13257	2.3
129.06990	8.2
131.08524	8.5
133.06496	3.0
133.08606	1.5
133.10124	8.0
135.11681	4.2
137.09656	1.1
142.07764	3.6
143.08522	1.6
145.10103	4.3
147.08093	2.5
147.11705	7.5
149.09619	3.8
149.13237	2.0
151.11211	2.0
157.10118	8.9
159.11705	1.5
161.13237	2.4
164.79794	1.3
165.12770	1.0
167.05585	1.3
173.13225	2.3
175.11186	8.1
184.92938	1.9
185.13181	1.1
187.13283	4.4
187.14745	1.3
193.12212	28.7
193.13858	1.5
202.93967	5.5
237.22069	1.9
240.95699	1.5
249.14856	7.6
331.26340	2.0
335.16641	3.0
405.30151	1.8
411.32474	1.6
503.18652	4.0
503.37259	100.0
504.37839	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	503.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12916	2.3
53.00305	2.7
53.03939	5.5
55.01860	8.7
56.36223	2.5
56.84127	2.4
57.03406	5.6
61.01138	2.9
66.61083	2.6
66.84294	2.3
69.03410	11.5
69.07066	3.6
70.06578	48.6
71.04958	4.3
71.52233	3.2
71.52622	3.3
72.08143	7.8
73.02896	5.9
75.89781	2.3
81.03421	18.6
84.04493	6.4
84.08128	5.5
85.02891	19.0
86.09703	46.8
87.04420	3.9
87.10020	4.1
89.06023	41.5
90.05523	2.8
91.05432	4.5
97.02298	4.7
97.02883	56.2
99.00806	17.8
99.04436	26.1
101.07124	3.0
102.05535	5.0
104.05336	5.6
107.04936	56.1
109.02872	100.0
110.07087	3.5
114.86991	3.4
114.90412	2.4
117.05479	3.0
119.04924	4.1
120.08031	3.5
121.02849	3.1
121.06525	3.7
127.03894	32.4
129.10278	2.8
133.08601	20.5
137.05983	9.4
139.66129	2.6
140.10677	2.8
143.04883	3.3
145.04942	26.8
147.04454	6.4
153.01836	5.9
159.09138	4.6
165.06935	9.0
167.05598	4.4
174.05696	4.3
175.07596	3.0
177.05518	4.6
177.11244	4.9
183.07990	13.6
184.09755	3.9
194.33269	3.0
202.04993	2.8
202.10744	6.4
207.08063	6.4
211.07504	11.0
215.13861	20.4
220.11577	3.2
228.07764	11.9
235.07567	13.5
242.09377	9.6
243.04883	4.4
243.10159	12.0
244.11049	2.9
252.07780	3.3
253.08621	3.3
259.05634	4.2
261.05997	10.4
262.06320	5.5
262.12775	2.9
263.06943	11.4
267.10114	8.3
277.08636	8.6
286.04764	5.6
287.05338	15.0
288.05676	7.9
295.09641	28.8
299.06097	5.7
311.05573	6.4
323.09030	16.7
326.06467	10.7
327.06787	16.7
328.08154	31.4
329.14056	3.6
330.16611	2.9
341.10114	18.9
376.23895	3.1
392.99362	2.8
503.20328	6.2
504.11154	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	502.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
65.18597	0.5
69.03418	1.1
69.64334	0.5
69.70078	2.6
69.70484	0.9
70.06574	2.0
72.08138	0.9
79.05457	1.1
80.16843	0.6
81.03409	1.3
81.07044	0.8
84.04491	0.8
84.08144	0.5
85.02898	1.0
86.09691	2.1
86.64535	0.6
91.05473	2.0
94.04173	2.0
95.04942	1.0
97.02888	1.3
102.04691	0.6
102.05534	0.5
105.07043	1.5
107.04947	1.2
109.02895	1.3
109.06481	0.8
114.07005	0.5
115.05466	1.9
117.07017	0.6
119.04928	2.4
120.08069	0.8
122.03640	4.0
123.04424	1.0
130.04128	1.4
133.06494	1.0
135.04446	0.6
137.05971	49.6
139.03877	1.4
143.04918	0.9
145.02847	0.7
145.06491	1.7
147.04422	3.5
148.04753	0.7
149.05969	1.1
150.22150	0.6
151.03874	4.0
158.03593	2.3
161.05969	4.0
162.06744	2.2
163.03868	1.2
164.04172	0.9
165.06969	0.5
173.05971	4.2
175.03824	0.8
177.05434	1.8
177.06912	0.9
178.05908	1.3
178.07726	2.1
185.05937	1.6
186.03104	3.6
187.60399	0.6
189.06969	3.2
194.07155	0.5
198.11292	0.5
201.05458	52.2
202.07700	0.5
203.06946	0.7
203.08612	0.7
204.05511	0.5
205.06517	4.9
206.07262	6.1
213.05402	5.0
214.06145	0.7
217.06464	2.4
217.08311	0.5
218.07265	1.7
219.08189	1.3
219.09955	1.0
220.05084	0.8
221.05920	1.7
221.09593	0.8
222.06767	1.9
223.07494	1.4
231.06412	4.3
233.06009	5.0
234.06755	20.1
235.07526	5.4
236.08063	0.8
237.05446	0.7
237.09108	2.7
237.11172	0.6
238.06296	0.5
244.05241	1.1
245.05956	5.2
246.06662	1.0
247.07578	2.0
248.08237	1.4
249.05521	1.9
249.09135	7.0
250.06189	3.3
251.07065	2.6
258.06677	0.6
259.07544	2.4
261.05496	3.2
261.09134	0.7
262.06247	21.3
263.06958	4.1
264.07785	2.1
265.08603	5.1
266.09366	1.1
267.06592	0.8
272.04703	1.1
273.05484	4.6
274.06229	3.5
275.07028	1.0
276.07800	2.0
277.05328	1.1
277.08572	19.3
278.05692	2.3
278.09018	1.4
279.06519	3.2
279.10028	0.8
280.07324	1.1
287.07059	3.1
289.04929	2.0
290.05725	29.8
291.06262	1.9
291.10077	1.2
292.07291	4.0
293.08072	5.8
294.08789	4.0
295.09518	3.6
297.11099	1.1
304.07208	1.9
305.08060	45.3
306.08298	2.5
307.05991	2.1
307.09592	5.8
309.11215	3.3
310.08447	0.8
319.09607	4.8
322.08282	5.1
325.10681	21.8
326.11069	0.8
337.10669	100.0
338.11172	2.9
355.11737	9.9
484.15765	0.7
502.17502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.7
53.03944	5.1
55.01863	7.6
56.96561	6.9
57.03426	5.4
58.82779	2.1
59.25412	1.6
66.81747	2.1
68.63261	1.7
69.03416	7.6
70.06588	7.0
71.01361	2.5
71.04062	3.7
71.04989	4.9
72.08141	6.6
73.02909	5.2
78.29420	1.6
79.05487	3.5
81.03411	20.4
81.13440	1.7
82.48922	1.6
84.08147	4.4
84.34573	1.6
85.02904	14.4
86.09710	7.3
89.03894	8.3
91.05791	1.7
91.68410	1.9
95.04981	3.6
97.02886	64.2
99.00806	18.1
99.04447	29.7
107.04207	3.3
107.04944	75.2
109.02870	100.0
117.01779	2.5
117.03371	8.0
119.04953	4.3
121.02899	2.4
123.04426	3.3
127.03912	26.2
129.10239	2.5
133.02812	1.7
135.04399	17.7
137.06004	10.4
139.03888	63.5
140.04187	4.7
143.00145	5.2
143.04904	1.8
145.01840	2.5
145.02831	11.4
145.04933	21.0
145.06514	4.3
151.03931	6.0
153.07050	2.5
154.20294	2.0
155.08504	1.8
161.01237	7.2
163.03891	78.2
164.04291	4.4
165.06999	8.5
167.05565	2.2
170.99712	2.2
175.07553	1.7
177.05484	3.1
179.03334	2.2
179.08580	3.5
181.04933	5.0
181.06464	4.1
183.08086	11.7
189.00761	2.8
195.03099	2.9
197.01286	2.2
199.07556	2.2
199.14252	1.6
203.06976	2.9
207.08080	7.7
211.07466	10.3
213.00746	5.0
217.00198	3.0
225.00719	4.3
228.07813	10.3
231.01776	3.3
234.06709	3.3
235.07542	20.7
237.00728	3.5
242.09348	10.1
243.01808	6.6
243.04970	3.1
243.10188	13.3
247.01686	1.9
247.06085	2.1
249.02734	2.2
252.07802	3.7
253.08589	4.9
255.01750	6.4
261.03394	2.0
261.06104	7.9
262.06335	5.9
263.07092	9.9
267.10269	8.9
273.02740	8.2
277.08627	8.0
280.07309	2.4
295.09610	28.9
299.06107	3.5
313.10678	2.4
323.09152	16.5
341.10202	19.5
344.97153	2.2
357.03088	2.0
360.06372	2.4
363.03989	5.1
381.05072	3.0
399.05991	5.4
405.50406	1.8
411.06219	3.3
417.07059	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	501.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40054	3.0
53.03934	5.9
55.01869	3.1
55.05505	25.8
55.46553	2.2
57.03434	17.5
57.07066	12.6
61.02919	56.5
67.05495	34.0
69.03420	29.7
69.07066	49.7
69.89610	16.2
71.01349	4.3
71.04976	6.7
71.08620	8.1
73.02913	24.4
75.49983	2.6
79.05489	12.5
81.03419	25.2
81.07047	43.3
83.04943	3.8
83.08607	31.7
85.02895	54.7
85.10185	3.6
87.04460	5.6
91.03947	31.9
91.05469	10.8
93.07014	18.9
95.04943	3.6
95.08595	45.8
97.02884	50.9
97.06508	5.6
97.10161	20.1
98.20831	3.5
99.04433	9.8
101.02358	13.7
103.03901	9.0
105.07024	6.9
107.08549	13.6
109.02866	8.8
109.10161	18.0
111.08072	4.1
111.11675	6.3
115.03939	4.4
117.05435	3.6
117.07008	4.2
119.08565	6.0
121.09339	3.3
121.10138	26.9
123.11698	5.4
125.09584	3.7
125.13297	3.4
127.03901	23.2
128.75066	2.6
129.05438	5.7
133.10069	3.3
135.11655	17.3
145.04956	11.8
145.10123	5.6
147.11761	3.1
149.13239	9.0
151.14735	5.1
183.06503	6.2
185.15585	3.2
191.17984	2.6
201.07735	5.6
202.94087	6.4
228.23119	7.9
247.24194	13.8
256.26328	3.3
265.25177	27.3
333.15036	4.4
339.28903	100.0
339.32996	4.8
366.54041	3.0
367.28418	4.4
373.27271	4.6
483.32861	6.3
501.34433	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	501.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
57.03420	0.9
67.05489	1.5
69.03399	2.0
69.07034	1.3
70.06554	1.1
71.04977	0.8
71.52710	1.0
79.05488	1.5
81.03387	2.9
81.07028	2.3
82.36430	0.7
83.08623	0.9
85.02883	3.2
86.09693	0.8
89.07136	0.9
91.05462	3.3
93.03387	0.7
93.06990	1.7
94.25609	0.6
95.04954	1.6
95.08578	1.5
97.02878	1.2
105.03316	0.6
105.07016	2.0
107.04950	3.1
107.08576	2.1
109.02861	3.0
109.10135	1.0
111.04449	0.7
115.05354	0.8
117.03373	1.5
119.04935	7.7
119.08565	1.0
121.02855	8.9
121.06475	1.3
121.10130	1.4
123.04417	1.4
127.03907	2.6
131.04906	1.3
133.10034	1.2
135.04379	1.3
137.05948	2.1
139.03894	0.8
141.01740	0.8
145.02803	3.4
145.04851	0.7
145.10167	0.9
147.04372	4.4
147.11679	0.9
149.05937	1.0
151.03899	1.1
159.04378	0.7
161.02359	0.8
163.03865	6.3
164.11375	0.9
165.01810	3.7
175.03874	1.1
177.01813	1.9
177.05476	4.4
179.03360	2.1
183.02895	2.0
189.05367	0.8
191.03299	0.9
195.02878	13.5
197.04376	1.1
198.04874	0.6
203.03337	7.0
207.02864	2.4
217.04927	2.9
221.04353	2.1
227.03398	0.9
243.29550	0.7
254.05780	1.1
255.02859	0.7
267.06509	2.2
268.07309	3.4
273.03793	1.7
282.05191	1.5
283.05972	18.5
284.06372	0.9
287.15869	0.7
295.05978	100.0
296.06570	5.0
297.07584	4.2
307.06073	3.4
309.07373	4.2
320.06686	1.2
321.07510	8.5
325.07028	34.1
326.07510	1.4
333.07535	1.0
335.09052	11.1
337.07013	1.6
339.08582	1.2
339.11990	4.2
349.07001	17.3
350.07324	0.9
355.08429	0.9
361.07095	2.3
363.08389	1.5
373.06982	1.0
379.08105	11.1
381.13297	7.6
391.07983	14.1
409.09140	24.5
427.10223	37.0
428.10342	1.1
445.11295	4.2
465.15457	2.6
483.16498	10.3
484.16278	0.8
501.17615	16.0
501.28491	1.4
502.17584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1749
Annotation	Genisteone
Peak:m/z	Relative Intensity
53.54424	0.1
55.01858	0.2
55.05483	0.3
67.05473	0.3
68.82988	0.2
68.99789	0.3
69.03410	0.2
69.07050	0.2
69.97186	0.3
69.97598	0.7
81.03402	0.2
81.07030	0.4
85.02901	0.2
91.05441	0.3
93.07037	0.3
95.08588	0.3
97.06440	0.2
105.06981	0.3
107.08601	0.2
119.04911	1.2
119.08549	0.2
121.02849	2.4
123.00795	0.3
127.03896	0.3
137.02330	0.4
139.32201	0.2
141.01785	2.0
145.10057	0.2
147.04330	0.4
149.13232	0.2
163.03857	0.3
165.01816	13.5
166.02084	0.2
177.05492	0.4
183.02861	8.3
197.05893	0.5
225.05502	0.2
255.06493	0.3
257.08188	0.2
258.08853	0.3
258.63910	0.2
283.05963	100.0
284.06253	2.7
313.07056	0.7
324.97800	0.2
327.08398	0.2
339.12222	30.0
340.12683	0.8
369.13232	0.3
431.01199	0.2
501.07343	0.3
501.17142	0.3
501.28320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89531	2.1
51.02344	2.1
53.03934	8.7
55.01866	5.6
55.05510	30.8
57.03192	2.4
57.03433	29.1
57.07058	8.1
61.02921	66.8
65.03921	2.5
67.05502	90.1
69.03424	41.6
69.06738	2.7
69.07066	41.1
70.34747	6.3
70.35114	3.9
70.49670	2.0
71.01336	7.9
71.04974	6.6
71.08623	6.0
72.13997	2.3
73.02914	31.0
75.04460	2.2
79.05486	33.9
81.03414	22.1
81.07052	100.0
83.04962	8.1
83.08607	23.9
85.02904	66.1
85.06546	3.5
87.04418	5.7
88.53477	2.1
91.03418	3.0
91.03953	39.8
91.05475	24.1
93.07037	35.3
95.04967	6.2
95.08602	81.5
96.08015	2.3
97.02882	54.3
97.06517	7.8
97.10172	13.5
99.04452	12.3
99.08062	4.8
101.02374	12.6
103.03929	9.1
105.07024	19.5
105.95694	1.9
107.08582	17.4
109.02849	13.5
109.06516	2.1
109.10155	40.3
111.04483	2.5
111.08070	5.3
111.11684	3.7
113.09612	2.2
115.03925	5.1
117.05451	4.0
117.06976	4.9
119.08567	15.0
121.06477	2.9
121.10139	15.9
123.08041	3.6
123.11712	16.4
125.09590	3.0
127.03925	26.6
129.05444	9.4
129.07008	3.5
131.08565	8.2
133.06421	2.4
133.10126	18.3
135.11670	12.1
137.09587	2.2
137.13203	5.5
139.11203	2.7
143.08519	3.1
145.04926	9.6
145.10086	3.9
147.11690	10.1
149.13275	10.8
151.11163	2.7
151.14786	3.1
153.12563	2.0
157.10077	2.2
159.06532	4.8
159.11690	4.4
161.13219	11.2
163.14780	7.2
165.12698	3.3
165.16359	3.7
175.14877	6.7
177.12704	3.2
183.06529	6.7
183.11703	2.9
185.13206	2.4
201.07491	3.8
245.22652	12.1
251.86147	2.2
261.22195	2.1
263.23703	23.4
272.93793	2.3
303.23123	3.3
305.24667	4.1
337.23184	4.5
337.27328	92.8
338.27609	4.4
353.25421	2.3
365.26920	4.0
371.25717	7.6
386.64288	2.6
389.26990	2.6
445.29373	2.7
463.30542	4.2
481.31763	4.7
499.32803	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01859	5.0
55.05510	30.5
57.03436	34.3
57.07065	8.8
59.04988	3.2
60.04667	1.7
60.08159	3.6
61.02922	82.0
63.17252	2.1
65.03928	3.5
67.05502	90.2
68.15491	2.0
69.03428	40.7
69.07063	35.4
71.01343	7.0
71.04968	8.9
71.08631	3.4
71.52914	3.1
71.76733	1.6
73.02909	36.6
79.05492	31.8
81.03412	26.7
81.07051	91.2
83.04970	5.8
83.08616	25.7
85.02898	78.6
85.06505	2.3
85.10172	2.5
86.09695	10.4
87.04469	3.8
87.10028	3.4
91.03411	3.8
91.03949	48.0
91.05462	20.5
91.25484	2.1
93.07046	31.1
95.04944	4.4
95.08603	76.3
96.63514	1.9
97.02887	63.5
97.06519	5.8
97.10156	14.6
99.04443	10.1
99.08096	3.2
101.02355	12.5
102.01630	1.9
103.03952	11.3
104.10738	17.7
105.07023	16.8
105.11066	8.0
107.08592	18.5
109.02872	13.1
109.06518	3.2
109.10137	27.7
111.04430	3.4
111.08073	2.9
111.11703	4.4
115.03926	6.5
117.05490	3.3
117.06991	2.6
119.08547	11.8
121.10132	13.2
123.11694	12.6
124.99973	2.8
125.09635	4.3
127.03889	25.2
127.11104	2.4
129.05482	5.9
129.06955	2.9
131.08563	4.9
133.10146	11.4
135.11678	8.4
137.09563	3.6
137.13232	7.8
145.04958	10.6
145.10150	3.9
147.11711	10.8
149.13263	4.8
151.11182	2.9
157.09998	2.1
161.13275	9.7
163.14799	6.7
165.12776	2.1
165.16505	2.9
171.06424	1.9
173.13342	2.3
175.14821	7.0
179.17865	2.4
183.06541	4.0
184.07373	9.9
185.07703	7.7
186.07816	6.5
187.08141	2.6
189.16379	4.2
201.07660	3.4
205.16057	2.1
217.15819	2.3
245.22629	12.9
252.93736	2.2
261.22119	2.5
263.23688	26.5
269.22266	2.2
288.81290	2.0
337.27353	100.0
338.27805	2.7
365.26587	4.5
371.25870	4.5
397.48727	2.2
445.29239	3.0
481.32101	6.4
499.32858	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	501.175
Annotation	Genisteone
Peak:m/z	Relative Intensity
53.91397	0.4
55.52077	0.3
57.03389	0.4
64.62823	0.3
65.03889	0.5
66.96386	0.3
67.05461	0.5
69.43098	1.6
69.43530	1.2
79.05441	0.5
81.03366	0.8
81.07031	0.3
85.02846	0.9
91.05413	0.7
93.03367	1.0
107.04947	1.6
109.02869	2.4
111.04385	1.2
119.04146	0.4
119.04928	6.5
121.02029	0.6
121.02851	8.3
121.06422	1.0
123.04391	0.4
131.04877	0.6
135.04370	0.7
137.02316	0.6
139.03845	0.7
140.56459	0.4
145.02821	0.6
147.04326	1.4
149.05942	0.6
151.03807	0.3
155.03377	0.3
159.04390	0.6
163.03941	0.6
165.01781	1.2
175.03918	1.2
177.01820	4.1
177.05429	1.1
179.03386	2.1
183.02864	0.5
189.01836	2.3
189.05396	0.9
191.03340	1.0
195.02869	13.1
195.06502	0.5
196.03195	0.4
197.04300	0.6
201.05328	0.3
203.03369	5.7
207.01419	0.3
207.02911	2.8
209.04324	0.5
215.03395	0.5
215.33780	0.4
217.01274	0.4
217.03152	0.5
217.04938	4.0
221.04437	2.2
225.03830	1.0
227.03297	0.8
231.02838	0.6
235.06009	0.5
240.07571	0.4
241.04787	0.3
251.06992	0.4
254.05771	0.7
255.02866	0.4
265.08493	0.5
267.06445	1.7
268.07266	4.3
269.07825	0.4
273.03854	1.0
279.06494	1.3
282.05112	1.1
283.05966	2.5
292.07251	0.4
293.08145	0.4
295.05978	100.0
296.06589	6.6
297.07480	4.3
307.06009	4.0
309.04065	0.5
309.07510	3.8
317.08191	0.6
319.06046	0.4
320.06677	1.3
321.07562	9.8
323.05353	0.6
325.07031	43.1
326.07416	1.2
333.07584	0.5
334.08066	0.5
335.05557	0.7
335.09076	10.3
336.09500	0.6
337.07065	1.2
345.07590	0.7
347.09122	0.6
349.07034	19.2
350.07367	0.8
355.08038	0.9
361.06958	1.8
363.08606	1.5
367.08054	0.4
373.06900	0.8
379.08105	10.9
380.08563	0.5
381.13281	8.5
391.08115	14.9
392.08533	0.4
409.09137	26.1
410.09500	1.0
411.14294	0.9
427.10217	35.5
428.10611	1.0
445.11365	5.3
465.15524	1.4
483.16437	8.3
501.17538	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	499.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72993	0.8
53.03957	1.8
55.01856	2.0
55.05502	1.2
57.03426	1.1
61.02915	1.6
67.05495	1.5
69.03421	8.3
69.07053	2.6
69.88509	4.9
71.04977	1.9
72.13883	0.9
73.02898	1.8
79.05473	2.0
81.03394	8.3
81.07027	3.1
84.04477	0.7
84.08143	0.8
85.02896	15.0
85.06561	1.0
87.00827	5.9
91.05456	2.0
93.07015	2.9
95.04965	1.5
95.08604	1.6
97.02885	5.6
98.06052	0.7
99.04419	3.6
105.01864	3.9
105.06966	1.1
107.04945	1.6
107.08547	1.3
109.02865	8.1
117.01826	1.2
119.08552	1.4
121.02831	1.1
121.06491	1.2
121.10110	0.9
123.04402	1.3
127.03908	9.7
129.01791	1.0
131.08524	1.3
133.10094	0.9
135.04395	0.9
135.08011	1.1
137.05995	0.8
139.03865	2.2
145.02806	1.1
145.04918	4.1
145.06398	0.8
145.10097	1.4
147.02850	1.1
149.05908	1.1
159.02887	4.2
159.04045	0.8
159.07938	1.6
159.11604	1.3
163.03893	3.1
163.07480	1.1
167.03340	2.6
173.02356	2.0
173.05885	1.1
177.05423	1.5
181.04956	2.4
181.08546	2.6
181.45947	0.7
187.07521	2.3
191.03407	4.0
191.07024	1.5
195.02946	1.2
209.04427	17.3
209.08072	2.8
215.07045	1.6
223.09613	4.8
231.04889	1.0
233.08041	5.3
233.15343	1.0
251.09117	100.0
252.09361	1.8
277.76886	0.9
311.05460	1.2
325.07413	0.9
337.10785	0.9
349.10794	1.0
379.11633	2.4
463.13422	1.0
499.15680	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	499.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	3.7
65.03931	3.1
68.99786	4.1
69.03429	4.0
69.38048	29.9
70.06583	12.9
72.08164	4.0
72.54615	3.0
81.03388	7.8
84.08135	3.7
85.02900	9.2
86.09715	5.1
91.05475	3.9
95.04987	4.6
97.02888	4.2
109.02877	6.3
111.04434	3.5
120.08101	3.7
121.02864	7.5
122.31031	3.1
123.04377	4.9
127.03911	2.9
135.04387	7.6
137.02332	38.0
139.03859	4.0
147.04358	6.5
151.03790	3.2
153.01796	4.3
161.02307	5.0
161.05981	6.4
163.03877	7.2
165.01848	15.1
177.01842	5.3
179.03413	6.1
181.01308	5.6
183.02924	6.5
193.01309	3.9
195.02861	10.8
199.02368	7.6
203.03323	4.7
205.01413	3.5
207.02809	4.9
213.05476	3.5
215.06856	3.6
217.04956	7.7
219.02806	3.7
221.04314	3.4
229.05045	3.9
231.06538	4.7
232.07208	3.4
233.04460	7.9
239.06891	3.6
241.04926	9.0
242.05908	3.4
243.06558	5.6
245.04535	7.0
257.04468	11.3
258.05206	3.7
259.05988	5.2
269.04416	8.3
271.06012	14.2
283.05634	4.2
285.04056	10.2
287.05435	24.2
289.03421	4.5
295.06030	4.9
299.02368	5.3
299.05530	53.8
300.06262	23.1
302.04239	12.3
303.05008	7.2
306.36267	3.0
310.04633	3.5
311.05505	13.9
313.03436	6.5
313.07123	11.1
315.04950	64.6
316.05432	7.2
317.06714	4.3
323.05362	6.8
325.07050	8.9
327.05139	17.0
328.05643	4.4
329.06509	52.5
331.04538	8.7
339.04868	4.5
339.08502	9.8
341.06476	8.4
343.04428	6.6
345.05981	12.9
353.06491	12.7
355.08240	4.1
357.05801	5.8
359.07751	3.8
361.05518	14.3
362.06094	5.5
365.06473	3.5
367.08023	4.6
369.06058	8.8
371.07245	4.1
381.06033	4.7
383.07672	10.9
385.05380	4.9
395.07440	7.3
399.07211	8.4
411.06940	8.3
413.08902	15.7
429.08228	15.9
431.09641	18.2
445.07483	5.6
447.09384	9.8
448.09879	16.2
449.10788	100.0
453.10352	4.7
464.09354	3.3
481.09238	3.5
482.10703	4.1
499.11298	21.7
499.24130	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	497.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.05508	2.8
57.03436	2.2
60.08159	0.8
65.03926	2.1
67.05499	10.3
69.03423	0.5
69.07045	1.7
71.53752	0.7
77.03926	0.5
79.05482	11.9
81.03406	0.4
81.06592	0.7
81.07049	9.6
83.04941	0.5
83.08611	1.2
86.06052	0.8
86.09708	3.3
87.10025	0.9
91.04900	0.9
91.05469	18.4
93.07033	11.1
93.07628	0.5
95.04954	2.3
95.08586	4.6
97.06491	0.5
97.10117	0.6
99.08061	0.4
104.10775	0.5
105.07007	4.0
107.08575	4.3
109.06493	0.5
109.10146	1.1
117.06992	1.6
119.04924	16.8
119.08557	3.1
121.10126	4.3
125.00008	2.9
128.06189	0.5
129.07005	0.9
131.08559	2.9
133.10106	2.7
135.11646	2.3
143.08566	0.5
145.10097	1.8
147.04390	100.0
147.11633	1.1
148.04735	0.9
149.13191	0.5
157.10109	0.4
161.13220	0.7
165.05437	0.9
171.11670	0.5
173.13086	0.6
184.07332	8.0
185.07692	2.4
185.13338	0.5
187.44003	0.4
205.50621	0.4
221.08040	2.2
313.27292	0.7
333.24255	0.5
450.49786	0.5
497.29202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	12.5
58.99850	1.7
61.05793	1.8
67.21859	1.4
69.63285	1.7
71.51686	2.7
82.99831	2.2
84.96041	2.1
89.85199	1.7
98.97562	29.1
101.00866	13.0
103.02435	4.7
110.97559	7.8
113.00871	4.3
116.98592	10.0
119.01908	26.2
124.99113	2.5
127.02418	6.9
128.98618	13.2
131.01881	16.6
132.28699	2.0
137.02919	2.8
139.02460	1.7
140.98570	3.9
143.00142	6.0
143.01897	25.4
145.03465	53.2
146.99638	7.9
147.01366	5.0
149.01237	2.0
149.02942	4.1
155.01874	27.8
156.98131	5.5
157.03499	16.0
158.99603	10.3
161.01245	6.3
161.02939	25.9
163.04495	6.2
167.01886	8.1
169.03462	3.8
170.99649	12.0
171.01378	5.7
171.04994	4.7
173.02959	48.3
174.04399	2.6
174.99135	37.3
175.04362	3.7
177.00697	10.0
179.01871	2.9
182.99641	5.9
185.02937	49.4
186.03154	2.0
187.02856	2.6
187.04527	6.5
189.00693	13.4
189.02448	9.4
191.03935	4.5
193.00192	35.7
193.04967	3.2
195.01720	2.7
197.02930	15.3
199.00917	2.5
199.02715	2.6
199.04497	4.0
201.00677	22.8
201.02365	3.3
203.04001	14.4
209.03015	2.8
211.01140	3.2
215.03993	7.9
216.05266	2.0
217.00159	15.9
217.01952	39.9
217.04953	24.8
219.01768	21.3
221.05098	6.4
227.04004	7.1
229.01907	7.9
229.05034	5.8
235.01143	8.3
235.03151	22.8
236.03188	2.0
237.02841	9.1
243.01802	7.3
245.05061	100.0
246.05171	4.2
247.00827	2.1
247.03075	9.1
247.05106	2.9
247.06470	3.3
257.05106	13.9
261.02789	30.6
263.06143	12.6
265.04044	2.7
275.06180	16.4
277.04041	11.7
277.07263	4.9
279.03760	17.7
283.06064	2.4
291.03900	8.4
293.07031	5.0
301.04205	11.7
305.07104	11.0
319.04892	17.8
319.08557	4.4
321.04861	19.0
333.05008	3.1
335.08215	5.1
337.05786	23.2
351.05984	4.2
365.09244	10.4
381.06885	3.8
399.08078	6.2
481.08630	6.8
499.09848	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
57.03427	0.3
57.07072	0.7
58.06632	0.5
58.07805	0.1
59.07385	0.2
59.13441	0.1
59.51444	0.1
60.08158	5.7
64.83359	0.1
67.05486	0.2
69.07056	0.2
70.04768	0.6
71.07366	2.8
71.08624	0.4
81.07056	0.4
83.08590	0.2
83.13617	0.1
85.10167	0.3
86.09697	27.5
87.10041	0.2
95.08594	0.4
98.20807	0.2
98.98456	2.6
98.99059	0.2
104.10730	3.8
124.99986	20.3
143.01018	0.4
166.02768	0.1
166.90869	0.1
174.19577	0.1
184.07320	100.0
185.07634	0.4
209.17140	0.1
258.11053	0.2
313.27347	0.3
379.62488	0.1
444.74359	0.1
478.32816	1.0
496.33902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05505	0.6
60.44080	0.4
65.03938	1.8
67.01876	0.4
67.05510	0.7
68.99787	0.6
69.03413	0.9
69.07069	0.4
70.06586	1.0
71.52683	0.6
72.08161	0.6
72.09145	0.4
79.05472	0.7
79.47556	0.3
81.03417	2.0
81.07033	1.0
84.08131	0.8
85.02901	0.8
86.09673	0.8
91.05471	0.3
91.43694	0.3
91.77384	0.3
91.99642	0.4
93.03413	0.7
93.07024	0.6
95.04983	0.4
95.08596	0.6
95.34668	0.3
96.72407	0.4
97.02870	0.5
97.17616	0.3
97.71960	0.4
100.11287	0.5
105.07034	0.6
109.02873	2.0
109.10149	0.6
109.47393	0.3
111.04433	1.1
118.06496	0.4
119.08633	0.6
124.01608	0.4
127.03919	2.3
129.07054	0.5
133.10126	0.4
137.02347	3.3
137.06038	0.5
139.03915	1.2
147.04448	0.4
153.01817	9.7
154.02444	0.4
155.03462	0.6
160.57784	0.3
162.06850	0.6
165.05467	0.8
167.03461	0.5
170.02074	0.5
177.05525	0.6
178.30238	0.4
181.01341	0.3
182.15344	0.4
183.02881	1.8
186.18323	0.3
188.08434	0.3
203.03423	0.8
213.05449	1.6
216.04178	3.8
228.04243	0.6
229.04997	0.7
229.08673	0.4
231.06599	0.4
241.04958	3.2
242.05902	1.8
243.06363	1.7
244.03673	0.7
249.14874	0.4
253.04919	0.9
255.06544	1.2
256.07285	0.6
257.04434	5.0
258.05255	3.3
259.06030	0.8
268.07220	0.4
269.04297	2.1
270.05209	3.8
271.06052	1.1
272.03387	0.4
272.06815	1.5
273.03986	1.1
273.07556	1.4
274.04739	0.6
283.05963	1.6
284.06668	0.8
285.04062	0.7
285.07474	0.8
286.01657	0.5
286.04691	2.2
286.08362	1.9
287.05493	6.1
298.04755	0.5
299.05466	3.1
300.06274	1.0
301.03534	0.9
301.07132	1.7
302.04263	1.6
308.06848	0.4
311.05444	0.7
313.03595	0.8
313.07010	5.4
314.04468	0.4
314.07809	13.4
315.04965	12.4
315.08658	16.1
316.05603	2.2
317.06485	0.6
327.04987	0.4
329.06680	1.9
335.05606	0.8
335.09189	0.5
336.06268	0.6
363.04950	0.8
363.08887	0.5
364.05698	2.8
379.04407	1.4
390.07239	0.5
408.04718	5.2
419.07574	0.7
421.05341	0.7
435.07004	0.7
436.04224	2.9
443.16452	0.4
449.05344	0.5
451.06573	24.3
452.06982	0.7
463.06528	0.7
465.08386	2.4
479.09723	1.6
481.07718	0.4
482.08356	0.5
497.10745	100.0
498.11127	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	495.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85123	3.8
53.03933	5.7
55.01841	6.5
55.05279	5.9
55.05507	80.2
57.03420	14.0
57.07057	7.9
59.80596	4.0
67.05497	100.0
69.07059	26.7
75.23434	3.6
78.75816	4.0
79.05067	7.1
79.05485	80.5
81.06586	7.4
81.07049	99.5
83.04954	10.0
83.08604	38.0
91.05471	26.5
93.07039	68.2
95.04955	6.5
95.08607	79.3
97.06485	6.7
97.10162	64.3
98.21512	11.1
104.10695	7.9
105.07040	22.9
107.08580	61.2
109.06497	5.7
109.10156	37.9
117.06978	10.5
119.08549	14.3
121.10132	31.0
123.11681	19.4
125.09607	39.6
131.08574	20.4
133.10110	26.3
135.11674	27.1
137.13208	9.1
143.10680	8.8
145.10068	16.5
147.11649	15.6
149.13228	14.8
159.11682	17.1
161.13242	10.6
163.14793	10.2
173.13234	10.7
175.14746	12.3
184.07304	8.7
187.14754	7.5
215.12679	7.5
217.14336	93.1
243.21051	16.8
261.22125	84.4
279.23029	4.9
301.25214	4.8
317.24615	9.5
335.25760	56.4
337.27356	8.4
353.26639	11.4
385.30893	8.4
403.32077	24.8
459.34567	6.7
477.35742	36.7
495.36008	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	496.3392
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05495	0.4
56.05026	1.5
57.03421	0.5
57.07071	3.4
58.06570	1.3
60.08156	17.9
67.05495	0.6
69.07057	0.5
70.78004	0.4
70.78323	0.2
71.07365	7.0
71.08622	1.9
81.07045	0.8
83.08596	0.7
85.10181	1.2
86.09695	51.7
87.10018	0.2
95.08589	1.2
97.10186	0.4
98.98456	4.2
104.10729	100.0
105.11082	0.4
109.10128	0.5
116.99403	0.2
123.11703	0.3
124.99987	28.9
147.04468	0.2
154.85329	0.2
163.01523	0.9
175.47603	0.2
181.02623	0.3
184.07317	94.6
185.07680	0.6
258.10931	1.3
313.27310	1.8
419.25214	0.2
449.92581	0.2
478.32907	7.4
496.33920	25.7
497.34271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.05507	34.6
56.96549	2.0
57.03433	19.8
57.07058	2.2
59.04995	1.7
61.74746	1.2
62.23617	1.2
65.03914	4.4
67.05499	50.8
69.03430	8.7
69.07064	14.1
69.45100	10.5
71.04985	11.6
79.05485	49.4
81.03409	99.0
81.07047	58.8
82.03745	1.4
82.07319	1.2
83.04971	25.3
83.08608	38.7
85.02894	49.8
85.06531	3.2
86.09710	1.7
91.05469	56.2
93.07027	39.1
94.07410	1.3
95.04957	44.3
95.08598	21.2
97.02875	7.6
97.06511	9.0
97.10162	11.0
97.64254	1.3
99.04438	2.0
99.08089	2.1
103.05477	1.4
105.07018	47.0
107.04958	12.2
107.08588	21.2
109.06492	11.1
109.10151	7.7
111.04430	9.7
111.08062	19.5
113.05982	4.6
115.05439	4.2
117.07001	7.4
119.08576	34.0
121.06503	5.6
121.10117	19.8
123.08051	5.6
123.11693	4.9
125.09605	8.3
127.48286	1.2
128.06197	2.5
129.05484	1.7
129.06993	20.3
131.08554	20.8
133.06456	6.2
133.10118	18.1
135.08052	3.6
135.11673	4.3
137.05960	1.3
137.09576	3.7
142.07788	4.5
145.06476	1.9
145.10078	7.1
147.08026	5.1
147.11671	22.6
149.09602	8.8
149.13300	2.9
151.11130	1.3
153.01682	1.5
153.12706	1.4
157.10123	19.7
159.11604	2.9
163.11166	6.7
165.12714	7.0
175.11172	19.5
177.12732	1.8
181.12222	2.9
184.07248	2.4
187.11259	1.8
189.11200	2.3
191.10623	2.7
193.12219	83.8
194.12610	1.9
195.13774	1.9
209.11774	2.7
211.13266	100.0
212.13672	2.3
227.12796	5.2
233.15295	1.9
244.30946	1.5
267.15936	7.7
269.17404	2.4
283.15323	3.3
285.16852	4.3
289.10971	2.3
339.23303	2.7
349.21460	1.5
357.23990	1.9
359.22192	2.5
367.22888	3.0
385.23587	5.0
403.24759	4.4
441.26068	1.4
459.27341	5.5
477.28326	8.3
478.28641	1.6
495.29446	81.6
496.30051	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	495.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01855	4.5
55.05506	67.7
57.03431	14.3
57.07050	6.4
65.03931	2.9
67.05500	87.4
67.36575	1.8
69.03416	3.9
69.07071	21.5
70.09681	3.1
71.04984	5.1
71.53095	3.0
78.49760	1.9
79.05485	65.3
81.07047	100.0
83.04967	6.6
83.08617	27.3
85.06509	3.4
86.09680	2.9
91.05468	26.5
91.68333	1.9
93.07037	58.4
95.04997	3.0
95.08597	70.1
97.06504	4.6
97.10159	50.7
99.08122	2.1
104.10704	2.5
105.07012	22.1
107.08590	50.2
109.06501	3.2
109.10143	33.6
117.07009	8.2
119.08568	20.0
121.10139	28.0
123.11684	16.4
124.99932	3.2
125.09618	31.5
131.08557	15.3
133.10117	16.6
135.11668	23.3
137.13228	5.4
139.11127	2.7
143.10654	7.4
145.10114	13.8
147.11652	8.5
149.13240	16.7
152.17557	2.1
157.10069	4.2
159.11674	14.5
161.13292	10.5
163.14774	11.8
171.11719	3.0
173.13281	11.1
175.14790	6.1
177.16380	2.4
184.07312	3.2
187.14833	7.3
199.13264	5.1
201.16389	2.7
206.75723	2.0
215.12741	7.2
217.14330	53.5
241.19475	3.1
243.21054	14.9
259.20538	2.9
261.22107	69.5
262.22394	2.3
263.23526	2.3
270.99274	2.5
279.23248	3.1
317.24631	7.3
335.25739	40.6
337.27182	3.3
353.26788	6.6
385.30850	6.6
403.32007	27.2
459.34540	5.3
477.35568	31.1
495.36609	14.6
503.74347	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	495.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28951	0.5
54.47552	0.6
69.03426	0.7
70.06569	1.2
71.52986	0.6
72.08116	0.7
81.07039	0.7
84.08112	0.6
85.02873	0.8
86.09696	1.7
91.05468	0.6
105.07046	0.8
115.05424	0.8
119.01919	1.6
120.08127	0.6
137.05946	3.2
143.01921	1.1
146.00275	0.6
155.01878	0.8
160.05170	1.0
161.02879	1.6
173.12857	0.6
175.07542	2.5
177.05504	0.8
187.07571	1.2
203.03644	0.6
203.10562	0.6
219.06499	1.2
220.48433	0.6
227.64079	0.6
231.06445	0.7
237.05402	0.9
247.13203	2.7
265.12891	0.9
275.12433	0.7
284.24701	0.6
289.05508	0.7
289.12915	2.1
301.12866	0.9
307.13742	0.8
311.05475	16.4
323.05463	0.7
331.08011	0.7
333.05817	1.4
349.15161	1.2
353.24307	0.7
355.11609	0.8
391.16620	1.3
409.18188	12.1
427.18356	1.0
451.19360	35.7
452.19077	0.6
479.12378	0.6
495.18353	100.0
496.18790	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	495.1493
Annotation	Peruvianoside II
Peak:m/z	Relative Intensity
53.03932	0.7
54.37851	0.3
55.01853	0.6
57.03416	1.0
61.02905	1.0
67.05497	0.7
69.03420	3.1
69.07058	0.4
69.40202	2.2
70.06579	0.3
71.04973	0.7
73.02899	0.6
79.05479	1.4
81.03416	1.8
81.07039	0.7
83.01336	0.6
83.04962	0.4
83.08594	0.4
85.02892	8.5
86.09681	1.0
87.04441	0.6
91.03954	0.4
91.05469	0.8
93.07010	0.6
95.04955	0.7
95.08585	0.6
97.02891	4.2
97.06521	0.6
99.04434	0.6
105.07001	0.4
107.04952	1.4
107.08597	0.3
109.02852	1.2
109.06486	1.1
109.10114	0.3
111.04411	0.4
119.08534	0.3
120.08102	2.0
121.06482	0.4
121.10115	0.4
123.04458	0.5
123.07992	0.3
125.05984	0.4
127.03922	1.6
131.08496	0.5
133.02835	0.3
133.10056	0.6
135.04443	0.4
135.08025	0.4
137.05980	0.5
145.04933	1.4
145.10164	0.3
147.04375	0.3
151.03886	0.4
153.01770	0.4
163.03911	0.3
177.05409	0.6
179.03407	1.7
181.04930	100.0
182.05324	1.2
185.16824	0.3
199.05925	0.4
199.44705	0.3
203.03352	0.4
203.76807	0.3
207.06494	0.8
217.08734	0.3
218.53764	0.3
219.13829	0.4
247.09573	1.0
259.15314	0.5
275.16293	0.3
287.05423	0.3
287.09113	0.3
291.08578	0.6
293.17245	0.3
300.06024	0.3
315.05222	0.4
315.08575	4.6
333.09619	14.0
451.19324	0.6
495.12158	0.7
495.13715	0.5
495.18820	2.1
516.31384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.3
55.05475	1.0
56.68785	0.3
57.03424	0.4
65.03912	0.3
67.05499	2.3
69.03394	0.3
69.07038	0.6
71.04971	0.3
79.05490	2.5
81.03413	1.8
81.07056	2.6
82.67924	0.3
83.04939	0.8
83.08580	0.7
85.02855	0.8
85.06503	0.5
91.05465	2.9
93.07050	2.3
95.04949	1.6
95.08556	1.2
97.02863	0.5
97.06499	0.7
97.10097	0.3
98.20684	0.4
99.04470	0.3
99.08053	0.4
103.05421	0.8
105.07025	1.7
107.04899	1.0
107.08590	1.4
109.02847	0.6
109.06445	0.5
109.10152	0.4
111.04401	0.4
111.08066	0.4
117.07034	0.7
119.04903	0.8
119.08523	0.8
121.06470	1.2
121.10091	1.0
123.04365	0.8
123.05223	0.3
125.09579	0.4
129.06944	0.3
130.04150	0.3
131.04877	0.9
131.08585	0.7
132.05618	0.4
133.06444	0.5
133.10075	1.0
135.04372	1.0
135.11694	0.7
136.05101	0.4
140.04601	0.7
147.04344	1.0
149.05933	0.4
149.13197	0.6
153.01805	4.6
153.05472	2.8
157.10121	0.5
160.05197	0.3
161.05971	0.8
163.11160	0.5
165.05444	0.7
166.06209	1.0
167.06949	0.7
168.07762	1.8
171.40186	0.3
171.42126	0.2
176.04582	0.3
177.05394	0.8
178.06194	0.6
180.07663	0.3
191.07054	0.6
191.10727	0.4
192.07613	0.3
193.12175	0.9
195.13792	0.6
196.07349	0.6
203.03375	8.2
209.11690	0.3
211.13177	0.9
213.05513	0.5
216.04222	2.1
227.12712	0.6
229.04945	7.4
229.42445	0.5
241.04956	1.1
242.05751	2.7
253.04861	0.5
257.04416	92.4
258.05081	4.7
269.04572	0.6
270.05112	0.9
271.05972	0.9
284.07150	0.3
285.03912	4.0
286.04718	7.9
287.05469	13.2
288.05740	0.3
297.03922	5.6
299.05576	0.8
302.04385	0.3
311.05319	0.5
312.41702	0.3
315.05026	1.0
327.05087	1.0
329.20944	0.3
359.09073	0.4
367.22876	0.3
375.08936	0.4
387.08603	0.6
391.08347	0.3
403.24725	0.5
407.07773	0.4
419.07587	0.4
421.09271	0.4
433.09000	0.9
449.08115	0.6
462.09097	0.3
465.11752	3.5
477.11914	2.1
477.28458	0.9
495.12814	100.0
495.27832	2.3
496.13077	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	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.2
57.03439	0.8
57.07049	0.9
58.06589	2.0
59.99000	0.7
60.08158	17.1
67.05490	2.6
68.43751	0.6
69.07051	2.4
71.07365	8.0
71.53471	1.0
79.05487	1.1
81.07042	2.5
83.04972	0.6
83.08600	1.5
85.30156	0.6
86.09697	52.9
91.05456	1.1
92.49745	0.7
93.07019	1.2
95.08597	1.7
98.98433	3.8
104.10730	100.0
118.91650	0.6
121.10123	1.3
124.99987	28.8
126.80283	0.6
130.25279	0.7
135.11642	0.9
147.04414	2.7
184.07320	97.2
193.04936	0.7
227.18938	0.6
245.54892	0.6
258.10916	1.5
311.25989	1.2
476.31332	9.4
494.32407	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	495.1281
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
51.02350	0.3
53.03922	0.3
53.95942	0.3
54.93612	0.3
55.05467	1.4
57.03400	0.5
67.05501	3.1
69.07045	0.8
69.44022	1.1
69.44440	1.6
71.04971	0.4
79.05483	2.4
81.03369	1.5
81.07042	3.6
83.04967	0.8
83.08573	1.0
85.02879	0.8
91.05463	2.7
93.07025	2.4
95.04925	0.8
95.08570	0.9
97.02816	0.4
97.06497	0.7
97.10108	0.5
102.04669	0.6
105.07004	1.8
105.07584	0.3
107.04899	1.0
107.08599	1.8
109.02865	0.6
109.06505	0.5
109.10098	1.2
110.03595	0.5
111.04422	0.6
111.08039	0.4
119.04900	1.0
119.08563	0.9
121.06503	0.3
121.10105	1.2
123.04408	1.8
123.11726	0.5
125.09632	0.5
129.06934	0.5
130.04100	0.5
131.04953	0.4
131.08533	1.0
133.10123	0.9
135.04285	0.5
135.08017	0.6
135.11641	0.6
136.05142	1.0
147.04373	1.6
147.11646	0.9
148.05135	0.7
149.05899	0.4
149.13225	0.9
151.11185	0.9
153.01799	6.1
155.48853	0.3
157.10049	0.4
159.11630	0.5
181.12173	0.5
185.84837	0.4
190.78096	0.4
193.12212	0.8
195.13808	0.9
203.03418	0.7
211.13287	1.1
213.05487	0.8
216.04158	34.5
217.04602	1.1
227.12660	0.6
229.04774	0.4
231.06390	0.9
244.03635	3.8
253.04973	0.4
253.14395	0.4
257.04514	2.8
258.05154	0.8
259.05978	6.0
267.15778	0.4
269.17447	0.6
270.05206	1.1
272.03137	6.0
274.04639	3.0
283.05835	0.6
285.03903	0.7
286.04688	0.4
287.05460	79.5
288.05771	1.1
299.05560	2.2
302.04224	4.3
311.05423	0.4
315.04941	9.6
316.05756	0.7
317.06506	3.4
327.04953	5.4
347.60751	0.4
390.07593	0.5
405.09320	0.8
433.09067	1.3
465.11942	3.0
477.11685	1.3
477.28784	0.6
495.12799	100.0
496.13147	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	495.1281
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
67.05489	0.6
69.43842	0.3
69.44219	2.7
70.56003	0.3
79.05447	1.1
81.03413	0.5
81.07014	1.1
85.02871	0.4
91.05428	1.2
93.07010	1.0
95.04911	0.7
95.08601	0.5
102.04663	0.5
103.05445	2.6
105.06985	1.0
107.04901	0.5
107.08482	0.4
109.06501	0.4
109.10062	0.4
114.35927	0.3
115.05408	0.4
117.03324	0.5
117.06926	0.5
118.04116	1.8
121.06506	1.7
121.10106	0.4
123.04426	0.6
130.04124	1.6
131.04924	3.5
132.05704	2.3
133.02840	0.4
133.06386	0.7
135.04364	0.9
140.04654	2.2
145.10069	0.4
146.03618	2.2
147.04366	1.2
148.05168	1.2
149.05934	1.0
153.01797	6.2
153.05385	0.6
160.05130	1.1
161.02202	0.4
161.05962	0.9
162.03117	1.0
163.03838	0.6
163.07393	0.4
165.05475	0.4
166.06241	0.7
167.07037	1.8
173.05872	0.5
176.04628	1.7
177.05481	2.9
178.06224	3.0
180.07677	0.4
181.08615	0.4
181.80789	0.3
191.07004	3.7
192.07814	1.5
203.03372	5.2
211.13278	0.4
213.05464	0.8
216.04135	1.3
229.04924	4.9
241.04863	0.8
242.05724	9.6
244.03751	0.4
253.04900	2.3
257.04413	47.1
258.05206	16.4
259.05960	0.6
269.04416	2.2
270.05249	2.5
271.05905	2.1
272.06589	0.4
285.03891	6.4
286.04675	26.4
287.05469	19.6
297.03891	4.0
299.05539	2.1
300.06229	0.9
301.07120	0.5
315.04877	1.2
323.05328	0.5
327.04889	2.7
338.63870	0.3
341.06537	2.3
359.09354	0.5
365.87714	0.4
373.06940	0.8
387.08722	0.4
416.08997	0.6
417.09872	0.4
419.07437	1.1
431.07404	0.5
445.09146	0.4
447.06876	1.1
461.09015	0.5
462.09442	0.8
465.11731	3.8
477.11786	13.3
477.28134	0.4
481.42596	0.4
495.12814	100.0
496.13376	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58392	1.9
53.03933	7.5
55.01859	6.3
55.05505	29.5
57.03429	11.5
57.07061	1.9
64.96054	1.6
65.03913	3.6
67.05498	43.7
69.03417	6.1
69.07060	12.7
70.71899	4.9
71.04975	5.2
73.02894	2.6
79.05486	49.8
81.03410	45.4
81.07040	47.1
83.04966	16.6
83.08606	20.2
85.02892	17.0
91.05467	40.1
93.07037	60.0
95.04955	28.0
95.08600	44.5
97.02869	9.0
97.06510	7.0
97.10155	4.5
99.04425	7.4
105.07018	30.1
107.04924	15.5
107.08580	36.2
108.08885	1.7
109.02840	2.7
109.06522	5.0
109.10112	9.7
111.04402	5.8
111.08057	8.0
113.06039	1.9
115.05444	2.2
117.07014	15.8
119.08575	30.0
121.06490	8.5
121.10137	21.2
123.04411	2.5
123.08041	3.8
123.11718	3.7
125.05982	5.5
125.09617	3.4
128.06166	2.2
129.06981	9.9
130.07697	2.7
131.08553	8.8
133.06444	5.1
133.10129	12.2
135.08032	6.4
135.11670	46.8
137.05884	2.2
143.08542	3.6
145.10107	32.0
147.04338	3.1
147.08044	3.1
147.11688	10.7
149.09605	5.4
149.13245	2.0
153.12740	3.0
157.10155	9.3
159.11671	2.3
161.09521	2.0
163.11163	57.6
163.12546	3.3
165.12733	3.4
173.09624	2.9
175.11160	8.5
181.12207	15.4
189.11160	2.8
193.12201	29.6
208.46323	1.9
209.11742	4.3
211.11342	3.7
211.13271	39.9
211.15254	1.9
227.12749	100.0
229.12010	2.1
265.14365	2.6
267.15817	14.8
283.15259	9.0
365.20990	2.5
370.42026	1.6
383.22125	2.7
401.23083	2.9
406.88483	1.7
475.26566	13.6
493.11636	2.8
493.27835	66.9
494.28439	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	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05503	1.6
56.05027	1.1
57.03434	1.0
57.07059	0.6
58.06608	2.0
60.08158	17.4
67.05492	1.5
68.69963	0.3
69.07056	2.7
69.54430	0.6
69.54844	2.7
70.06591	0.4
71.07363	6.3
79.05468	1.1
81.07050	2.4
83.08619	1.3
86.09698	52.7
93.07037	1.4
95.08598	1.3
97.10133	0.6
98.21526	0.8
98.98458	3.9
104.10732	100.0
105.11060	0.5
107.08611	0.9
111.08088	0.7
121.10157	1.0
123.11692	0.4
124.99992	26.6
135.11707	0.6
143.01070	0.6
149.02348	0.5
163.01535	0.7
184.07323	99.4
185.07687	0.6
193.04889	0.5
237.07645	0.5
258.11063	1.2
284.29376	0.5
311.25708	1.3
392.53723	0.4
471.11899	0.4
476.31305	7.9
494.32349	27.3
495.32486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1336
Annotation	Isopyrenin
Peak:m/z	Relative Intensity
52.41760	0.8
60.76677	0.8
67.05498	0.9
68.99785	1.1
70.06586	2.4
70.92447	1.8
72.08157	4.0
79.01838	2.8
79.39285	0.8
81.03406	1.6
81.07042	0.9
85.02887	2.8
86.09681	3.9
87.36246	0.9
91.05470	0.8
95.83910	0.9
109.02858	1.3
111.46104	0.8
121.02832	1.0
122.99371	1.0
123.04432	1.5
129.37933	0.9
137.02328	1.7
153.01796	0.8
159.09145	1.5
163.03902	2.2
165.01884	2.8
165.05510	0.9
175.03799	0.9
177.01854	1.1
179.03362	1.9
179.07005	1.4
181.04919	13.7
183.02907	1.5
185.16489	2.3
205.04858	2.1
213.05435	0.9
213.15877	1.6
217.04991	3.9
232.03833	0.9
243.02834	1.7
245.08028	1.5
247.05981	2.1
255.06506	1.2
256.07312	2.1
259.05981	3.1
261.03934	3.9
269.04578	1.1
273.07669	0.9
274.04938	1.3
282.05283	4.0
283.06097	1.6
284.06802	2.4
286.04626	2.0
287.05646	1.7
287.08975	1.1
294.05118	1.4
296.06717	1.8
297.07251	1.4
298.04871	1.4
298.08054	1.3
299.05478	3.3
299.08411	1.6
300.06134	2.4
301.06870	0.9
302.04266	5.1
303.04944	2.5
311.05450	3.8
312.06247	4.6
313.03546	1.3
313.07001	3.7
314.04160	2.9
315.04987	16.5
315.08588	2.5
316.05765	1.5
316.09378	4.0
317.06427	13.1
317.09515	1.2
322.08328	1.2
325.07175	1.3
327.04984	20.2
328.05746	17.5
328.09421	1.8
329.06573	4.1
330.07169	1.9
331.08060	12.8
337.07025	1.1
339.04953	9.3
339.08514	1.0
340.05530	1.1
341.06525	13.5
343.04398	5.2
343.08069	60.2
344.05121	1.1
344.08807	18.8
345.09308	1.3
353.06534	5.8
354.06903	1.3
355.08078	14.0
357.05978	14.6
357.09756	12.2
358.06766	1.9
367.04361	1.2
367.08160	9.1
368.08694	1.2
369.05792	1.3
369.09811	1.8
371.07690	3.3
373.09128	100.0
374.09567	3.6
381.05692	1.7
383.07553	1.0
383.11356	13.4
385.09290	4.9
387.10776	1.8
395.07721	1.1
397.09177	15.6
403.10287	10.6
409.09241	1.2
411.10632	6.9
415.10071	2.4
427.10260	16.1
439.10251	8.5
457.11249	43.1
458.11548	1.6
475.12296	70.4
476.12653	1.9
493.13336	89.8
494.13416	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	493.1337
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
57.03398	0.2
61.02896	0.5
61.03240	0.3
67.05457	0.8
69.03417	1.2
69.07018	0.3
70.06548	0.7
72.08105	0.3
73.02851	0.3
79.05459	0.6
81.03370	1.1
81.06985	0.6
85.02898	3.1
86.09670	0.6
91.05403	0.7
93.06997	0.5
95.04925	0.6
95.08537	0.5
97.02843	1.0
99.04427	0.3
105.06988	0.3
107.04935	0.6
107.08561	0.4
109.02825	0.3
109.06458	0.3
109.10063	0.3
117.06986	0.3
119.08537	0.4
120.08048	0.5
121.08535	0.3
121.10096	0.6
127.03902	1.6
133.10112	0.4
137.02316	0.4
137.05946	0.3
140.89003	0.3
145.10028	0.4
147.08060	0.3
153.01801	1.0
154.02507	0.3
167.03391	0.6
177.05333	0.3
177.68394	0.3
178.02551	0.7
242.05721	3.7
252.04303	0.3
258.05234	2.0
269.04321	0.4
270.05225	13.3
271.05591	0.4
273.04059	1.3
285.03836	0.6
286.04782	1.3
287.05460	6.5
288.05777	0.5
298.04733	1.1
299.02386	0.3
299.05359	1.6
301.03384	2.9
301.06760	0.5
302.04184	3.5
313.03418	1.3
313.06631	0.3
315.04947	53.6
316.05698	16.0
317.06332	0.9
329.06482	0.4
331.08084	100.0
332.08447	2.6
355.08020	0.4
373.09167	0.7
475.27063	0.5
493.13364	37.5
493.28125	0.8
494.13745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68203	3.8
55.01852	12.7
57.03428	7.1
68.61494	5.0
71.51683	8.2
74.20757	4.9
77.61543	4.6
81.03383	7.8
82.79837	4.3
85.02905	24.8
92.46811	4.4
93.03373	5.5
97.02869	8.5
103.03919	6.8
109.02857	10.5
120.30868	4.9
121.02836	18.3
123.04427	10.3
130.84846	4.7
135.04388	5.7
147.04378	8.8
151.03850	6.2
157.06503	5.5
159.04340	8.8
161.05960	4.5
163.03876	10.9
166.52954	4.6
169.05035	5.9
169.06364	5.0
171.04378	14.2
173.05991	12.2
175.03842	25.1
177.05435	16.1
181.05011	22.9
185.05928	12.9
187.03854	18.8
187.07593	5.3
189.05452	20.8
191.03329	4.7
193.04956	36.3
197.05916	7.7
199.03859	10.3
201.05440	14.1
203.03432	6.2
203.07063	8.7
205.04961	56.3
211.04002	4.6
211.05991	8.4
213.05457	16.3
217.04932	44.1
219.02885	8.7
219.06525	22.8
221.04391	17.4
223.05994	41.2
225.05371	8.5
227.06868	7.5
229.04962	13.2
231.06606	24.9
235.05991	43.5
241.04938	13.1
243.06528	14.4
245.08086	9.0
247.05997	82.1
249.07483	6.0
253.04959	8.5
255.06505	10.8
259.06027	100.0
269.07977	7.6
271.06012	40.3
273.07523	14.4
277.07056	56.3
283.06009	15.1
284.06500	5.6
285.07690	10.0
289.07059	85.6
297.07462	14.7
299.08948	6.8
301.07059	63.7
307.08273	26.8
311.09088	5.8
313.06927	58.8
319.08093	29.9
325.06262	12.6
325.09073	61.4
331.08130	5.1
337.09387	27.8
343.08047	43.9
355.07507	25.7
361.09143	34.1
367.08148	8.1
373.09061	29.8
379.10184	15.1
385.09149	13.8
385.48737	4.3
391.10175	45.0
393.06760	5.0
403.10056	18.8
409.11334	6.2
421.11282	21.0
439.12262	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	493.1338
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.94011	0.2
51.39785	0.2
52.54464	0.2
58.01045	0.2
70.92422	0.3
70.92758	0.3
89.93768	0.2
95.11470	0.2
95.90462	0.2
125.02103	0.2
127.92499	0.2
148.96976	0.2
153.01750	0.6
154.02516	0.2
178.02518	0.5
242.05714	1.7
258.05219	2.0
269.04422	0.4
270.05200	8.6
273.03873	1.2
285.03860	0.3
286.04721	1.5
287.05484	3.9
298.04715	0.2
299.05472	0.7
301.03448	2.0
302.04214	2.5
313.03400	0.9
315.04947	33.9
316.05688	4.0
331.08084	100.0
332.08386	2.6
370.01508	0.2
493.13492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	0.6
55.05490	0.8
57.03441	0.4
67.05507	2.6
67.27407	0.3
69.03399	0.5
69.07049	0.9
69.19975	3.3
71.04996	0.5
74.31945	0.4
79.05482	2.4
81.03386	1.2
81.07046	3.1
83.04979	0.8
83.08617	1.1
85.06546	0.5
91.05476	2.4
93.07033	2.2
95.04955	1.8
95.08600	1.1
97.02905	0.4
97.06500	0.6
98.20712	0.6
103.05444	0.5
105.07017	2.1
107.04914	0.6
107.08576	1.3
109.06494	0.5
109.10129	0.7
111.00710	0.3
111.04435	0.5
117.03378	0.5
117.07016	0.8
119.08570	0.9
121.02869	0.4
121.06468	0.6
121.10105	0.9
123.04436	1.5
125.09577	0.4
129.06952	0.5
131.08542	1.0
133.10095	1.5
134.03665	1.4
135.04390	0.5
135.11736	0.6
136.05193	0.5
137.05960	1.9
143.08559	0.5
145.02827	0.5
145.10114	0.6
147.04408	0.7
149.09595	0.3
149.13173	0.4
150.03084	1.0
153.01817	5.9
153.12782	0.3
155.08498	0.4
159.11719	0.4
162.03120	0.7
163.03893	2.5
163.11169	0.7
164.04677	0.9
167.07005	0.7
174.08710	0.3
175.11058	0.3
177.05423	0.6
191.10788	0.4
193.12163	0.7
194.05811	1.2
201.12869	0.3
203.03331	1.8
211.13335	0.4
213.05511	0.6
221.06087	0.4
222.11850	0.4
227.12787	1.1
229.04855	1.6
234.58649	0.3
241.04913	1.0
242.05705	12.1
248.91772	0.3
253.04892	0.8
253.46768	0.3
257.04413	15.1
258.05170	7.2
269.04416	3.9
270.05203	2.2
271.06012	1.9
285.03897	4.1
286.04694	9.4
287.05490	1.9
297.03961	5.4
297.07129	0.4
305.07922	0.7
308.06799	0.6
310.04736	1.0
311.05469	0.5
311.71057	0.3
315.05002	0.9
318.08905	0.3
319.09549	0.4
333.07559	0.9
334.08099	1.5
335.09003	0.7
337.03519	0.5
344.06693	0.7
345.07520	3.8
353.06689	0.7
355.04291	1.4
361.07037	4.9
362.07825	1.8
363.08597	1.9
372.05991	0.4
373.07031	6.0
374.07803	2.6
375.08432	0.5
377.06534	0.4
389.06442	5.2
390.07294	4.3
391.08072	5.0
401.06381	2.1
402.07248	0.4
417.06036	0.8
418.06793	4.3
419.07529	14.7
420.07928	0.7
433.09048	2.0
446.06311	6.4
461.08591	7.4
461.28143	0.3
478.09027	0.4
493.11234	100.0
494.11578	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	493.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01855	0.6
57.03424	0.7
60.66239	0.2
61.02919	1.2
64.47118	0.2
69.03423	2.7
69.36112	0.2
69.86737	1.4
70.06573	0.2
71.04975	0.3
73.02901	0.4
73.63801	0.3
78.85381	0.2
79.05453	0.2
81.03420	1.6
83.01326	0.8
83.04959	0.3
85.02899	7.8
85.03660	0.3
87.04447	0.3
91.03950	0.4
91.05485	0.3
93.03389	0.3
95.04956	0.5
97.02884	2.6
99.04467	0.3
107.08579	0.3
109.02873	0.9
109.06499	0.3
109.69051	0.3
111.04462	0.3
120.61208	0.2
121.02857	1.0
123.04359	0.2
127.03898	1.5
127.04675	0.3
135.04430	0.2
137.02336	2.7
137.03325	0.4
137.05969	0.6
140.03108	0.2
145.04932	1.4
149.02394	0.3
163.03983	0.4
165.05431	0.8
177.05583	0.2
179.03323	0.2
181.04959	4.5
183.08067	0.3
193.04938	2.9
194.05614	0.4
211.07542	0.7
214.06262	0.8
229.08527	1.3
257.08008	3.3
275.09146	0.3
285.07532	1.4
287.05505	0.3
302.07864	0.7
303.08359	0.3
313.07010	0.7
315.04950	0.5
316.05991	0.4
329.06442	0.4
331.08090	100.0
332.08405	2.9
503.07986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0972
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
60.61703	0.2
70.06577	0.2
70.66402	0.4
72.08160	0.3
79.87591	0.1
86.09672	0.3
120.08080	0.2
124.95226	0.1
128.75661	0.2
141.04947	0.2
153.01852	0.5
192.04216	0.3
203.03262	0.2
227.09470	0.1
228.04115	0.3
255.33699	0.1
273.03815	0.3
274.04688	17.3
275.05191	0.3
302.04178	31.1
303.04599	0.7
317.06519	100.0
318.06882	1.7
401.54401	0.2
493.09698	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	493.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01870	0.4
55.05501	1.4
56.35516	0.3
57.03424	0.3
57.94492	0.3
67.05493	2.8
68.99766	0.4
69.07056	0.9
71.04955	0.5
71.26383	0.3
71.26716	0.4
79.05489	2.2
81.03407	0.9
81.07043	2.5
83.04974	0.5
83.08601	0.8
85.02895	0.4
89.03902	0.3
91.05466	2.5
93.07038	2.2
94.04194	0.3
95.04945	1.9
95.08598	1.4
97.02890	0.4
97.10157	0.6
101.00558	0.3
105.03362	0.4
105.07013	1.2
107.04971	0.8
107.08590	1.5
109.06514	0.4
109.10149	0.8
111.08065	0.4
117.03434	0.4
117.06988	1.0
119.04942	0.6
119.08575	1.0
121.06503	0.7
121.10113	0.7
123.04408	1.4
128.06245	0.5
129.06978	0.5
131.08525	0.7
131.81691	0.3
133.02850	0.4
133.10136	0.9
134.03619	1.2
135.04459	0.5
135.11690	0.8
136.05138	0.3
137.05972	3.5
143.08598	0.4
145.02800	0.7
145.10161	0.4
147.04378	1.0
147.11699	0.4
149.06046	0.5
149.09644	0.5
149.13223	0.7
150.03117	1.4
151.03992	0.3
152.04694	0.4
153.01816	7.2
154.02635	0.4
157.10141	0.4
161.09604	0.4
162.03108	1.0
163.03845	1.6
163.11192	1.0
164.04698	1.6
167.07014	1.3
175.03865	0.7
176.04683	0.4
177.05464	1.1
179.10605	0.3
193.12256	0.7
203.03355	3.5
211.13284	0.6
213.05490	0.6
221.05980	0.5
225.11241	0.3
227.12808	1.1
229.04959	2.6
241.04990	1.4
242.05702	10.8
253.04802	0.6
257.04422	28.7
258.05066	4.4
269.04422	2.0
270.05234	3.6
271.06009	7.2
279.06641	0.3
285.03900	3.7
286.04724	5.3
287.05344	0.6
297.03925	4.3
298.04327	0.4
305.08066	1.6
308.06763	0.9
309.07544	0.7
310.04572	0.8
311.05524	0.8
315.05045	0.6
333.07614	1.0
334.08377	1.9
344.06912	1.3
345.07501	3.5
346.08029	0.3
355.04520	1.5
361.07004	4.6
362.07690	1.6
363.08521	0.8
372.06107	0.6
373.07053	9.8
374.07959	1.5
389.01559	0.6
389.06506	8.3
390.07251	3.2
391.08023	1.6
401.06540	2.3
402.07336	0.6
417.05753	1.4
418.06775	7.9
419.07614	7.1
433.09262	2.6
446.06305	14.3
447.06458	0.6
461.08673	17.6
462.08838	0.6
475.26645	0.4
493.11243	100.0
494.11682	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01863	4.6
55.05518	2.3
56.45631	1.7
59.00542	1.8
61.02895	2.3
69.03412	7.9
69.07056	5.6
70.06579	11.4
71.04974	3.0
71.06931	2.1
73.02889	2.7
79.05476	6.2
81.03403	3.6
81.07050	3.2
83.04964	5.5
83.08603	2.4
84.04503	3.0
84.08157	3.5
85.02909	10.8
86.09696	10.5
87.00803	2.7
91.05459	8.4
93.07038	7.1
95.04971	2.8
95.08604	5.2
97.02890	6.8
97.06522	2.6
99.04441	2.7
105.01844	4.0
105.07027	23.2
107.08588	48.3
109.02866	3.4
109.06523	2.5
111.08109	2.1
119.08577	17.1
120.08076	4.1
121.10139	12.8
127.03899	6.8
131.08540	16.2
133.10118	100.0
134.10387	2.1
135.08060	9.2
135.11688	4.8
143.08562	2.5
145.04895	2.7
145.10123	6.5
147.04434	2.3
147.11690	13.5
149.13245	9.0
151.03873	2.3
158.10902	3.7
163.14824	3.9
173.13228	38.1
175.14807	42.5
191.14291	62.8
209.15282	4.2
229.09622	2.7
229.49542	2.2
315.08813	2.2
330.06854	2.5
331.04474	2.3
331.08084	6.3
331.12772	11.1
334.47772	2.3
453.22845	2.6
492.14917	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01861	2.0
55.05502	21.6
58.95116	1.9
61.85823	2.5
63.08854	2.0
67.05495	5.8
69.03400	8.0
69.07050	4.9
70.06586	7.1
70.92112	1.9
70.92441	4.9
71.04965	3.4
77.69933	2.0
79.05471	3.6
81.03400	6.5
81.07047	7.2
83.04974	23.1
83.08624	18.2
84.04488	2.5
84.08107	3.7
85.02888	13.6
85.06519	2.8
86.09689	6.5
87.00809	4.0
90.93358	2.3
91.05463	4.2
93.07036	5.6
95.04941	7.5
95.08594	4.9
97.02886	7.4
97.06530	2.6
97.10181	3.0
99.04454	3.9
103.76363	2.0
105.01859	7.0
105.07009	8.4
107.08575	13.4
109.02840	7.3
109.06509	6.0
109.10130	12.1
111.08064	4.9
118.91294	2.0
120.08076	7.1
121.10126	7.1
123.11680	5.2
125.09608	6.0
126.21354	2.0
127.03912	6.6
130.95627	1.8
133.10123	15.4
135.08031	4.5
135.17680	1.9
137.02277	2.1
137.05977	3.9
145.04874	5.3
147.11673	3.6
149.13251	5.4
151.11180	21.6
153.01839	3.6
153.09055	3.8
167.03381	2.5
167.14302	31.6
173.13249	6.1
181.04968	3.8
191.14278	4.7
209.15352	100.0
217.04733	2.7
227.16521	5.8
254.06674	6.0
261.04034	2.3
274.04623	2.5
282.05600	2.0
284.06586	2.2
302.04102	9.1
312.06085	2.1
315.05032	10.0
317.06522	28.9
327.05026	6.8
328.05759	7.7
331.08136	16.6
339.05048	3.5
341.06381	4.1
343.04355	2.7
343.08057	10.9
344.08807	2.3
355.08179	3.0
357.05887	5.2
367.07980	3.7
373.09055	18.4
387.11432	2.4
397.09152	5.5
403.09824	2.9
427.10275	4.4
439.10229	4.5
457.11243	8.7
475.12292	17.1
493.13861	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	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05498	1.2
55.94888	0.5
57.03435	0.9
61.02905	0.8
67.05496	0.9
69.03411	2.0
69.07053	1.2
70.06586	3.1
70.06907	0.6
71.04983	1.1
71.36608	0.8
71.36968	1.1
71.74430	0.6
72.08132	1.6
74.06062	0.7
79.05485	1.4
81.03400	2.8
81.07039	2.6
83.04990	1.6
83.08625	0.8
84.08105	0.7
85.02893	6.4
86.09702	3.0
87.00800	1.4
91.05455	1.5
93.07016	1.7
95.04948	2.7
97.02876	2.2
97.06494	1.1
99.04429	2.1
102.96174	0.5
105.01863	1.1
105.07018	2.9
107.08572	5.2
109.02836	1.8
109.06510	3.4
109.10112	1.8
111.08000	0.8
119.08583	1.3
120.08102	1.5
121.10104	2.2
122.10512	0.6
123.08037	1.3
123.11672	0.8
127.03912	3.8
131.08516	2.1
133.02853	1.6
133.10115	9.9
135.07948	0.7
137.02345	1.0
137.06020	1.0
139.11102	1.0
145.04916	1.0
149.13220	1.7
150.03093	1.4
153.01820	10.6
153.09079	1.3
158.10869	0.8
159.02869	1.1
165.05457	3.4
173.13231	4.3
179.03435	0.7
191.14284	8.5
192.59334	0.5
209.15373	4.0
227.16304	0.8
232.03522	0.9
274.04660	10.4
283.91586	0.7
299.05234	0.7
302.04172	31.6
313.11523	0.8
317.06525	100.0
334.06174	0.9
334.56509	0.7
377.02228	0.7
394.53705	0.6
402.63995	0.6
493.09790	3.8
499.04584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
55.01861	2.0
55.05502	21.6
58.95116	1.9
61.85823	2.5
63.08854	2.0
67.05495	5.8
69.03400	8.0
69.07050	4.9
70.06586	7.1
70.92112	1.9
70.92441	4.9
71.04965	3.4
77.69933	2.0
79.05471	3.6
81.03400	6.5
81.07047	7.2
83.04974	23.1
83.08624	18.2
84.04488	2.5
84.08107	3.7
85.02888	13.6
85.06519	2.8
86.09689	6.5
87.00809	4.0
90.93358	2.3
91.05463	4.2
93.07036	5.6
95.04941	7.5
95.08594	4.9
97.02886	7.4
97.06530	2.6
97.10181	3.0
99.04454	3.9
103.76363	2.0
105.01859	7.0
105.07009	8.4
107.08575	13.4
109.02840	7.3
109.06509	6.0
109.10130	12.1
111.08064	4.9
118.91294	2.0
120.08076	7.1
121.10126	7.1
123.11680	5.2
125.09608	6.0
126.21354	2.0
127.03912	6.6
130.95627	1.8
133.10123	15.4
135.08031	4.5
135.17680	1.9
137.02277	2.1
137.05977	3.9
145.04874	5.3
147.11673	3.6
149.13251	5.4
151.11180	21.6
153.01839	3.6
153.09055	3.8
167.03381	2.5
167.14302	31.6
173.13249	6.1
181.04968	3.8
191.14278	4.7
209.15352	100.0
217.04733	2.7
227.16521	5.8
254.06674	6.0
261.04034	2.3
274.04623	2.5
282.05600	2.0
284.06586	2.2
302.04102	9.1
312.06085	2.1
315.05032	10.0
317.06522	28.9
327.05026	6.8
328.05759	7.7
331.08136	16.6
339.05048	3.5
341.06381	4.1
343.04355	2.7
343.08057	10.9
344.08807	2.3
355.08179	3.0
357.05887	5.2
367.07980	3.7
373.09055	18.4
387.11432	2.4
397.09152	5.5
403.09824	2.9
427.10275	4.4
439.10229	4.5
457.11243	8.7
475.12292	17.1
493.13861	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	491.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01856	1.3
55.05507	5.2
57.03422	1.1
61.15165	0.6
65.03915	0.5
67.05492	10.1
69.03416	0.9
69.07069	2.8
69.33835	4.4
71.04979	1.9
79.05479	8.4
81.03410	1.7
81.07047	10.6
83.04961	1.8
83.08593	2.3
85.06541	1.0
86.73328	0.5
87.00830	0.5
89.82389	0.5
91.05471	6.1
93.07037	7.8
95.04945	3.9
95.08598	5.9
97.06529	1.0
97.10158	2.9
103.05389	0.5
105.07025	3.8
107.04944	7.2
107.08565	3.5
109.06509	5.0
109.10157	7.3
111.08047	1.0
117.07002	2.0
119.08582	5.2
121.06506	6.1
121.10151	2.9
122.07258	2.0
123.04436	0.6
123.08060	1.1
123.11694	7.9
124.00943	0.5
125.09612	2.0
128.06221	0.8
129.07005	1.7
131.04903	0.6
131.08536	4.3
133.06487	1.4
133.10133	1.6
135.08026	2.3
137.05978	0.8
137.09601	12.7
139.07565	0.7
139.11069	0.8
141.06984	0.7
143.08559	1.3
145.06471	2.3
145.10170	0.9
147.04408	0.8
147.08017	1.7
147.11693	0.8
149.09599	1.9
151.07509	0.8
153.09042	0.6
155.08589	0.8
157.10143	1.2
159.08070	1.2
159.11673	1.0
161.05994	0.8
161.13239	0.7
163.11194	0.6
165.09097	100.0
166.09418	1.4
167.10655	1.1
171.11674	0.7
173.11737	1.0
173.13222	1.1
175.11171	0.9
183.10072	0.9
189.11206	1.4
189.12743	0.6
191.14294	1.3
193.12199	0.9
199.13239	1.3
201.11206	2.0
203.14360	0.6
205.12178	1.1
219.13843	2.7
223.13211	0.7
231.13780	0.6
233.15407	0.6
239.14540	0.6
249.14896	1.1
273.14804	1.3
275.16379	1.8
339.25592	0.8
349.21497	2.5
357.23981	0.6
367.22589	5.7
385.19360	0.8
385.23715	7.6
399.25455	0.8
403.24557	1.7
417.26398	0.9
441.26181	1.0
459.27396	11.2
460.27911	1.2
491.30069	12.1
496.56158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03920	4.8
55.01859	4.8
55.05510	44.4
57.03426	13.3
67.05499	62.5
67.94071	2.7
69.03407	6.4
69.07068	15.6
71.04978	3.4
79.05486	55.5
81.03413	34.9
81.06588	4.2
81.07047	69.9
82.00336	2.7
83.04957	11.7
83.08612	29.0
85.02887	3.8
85.06511	3.0
91.05475	100.0
93.07030	52.7
95.04955	29.9
95.08595	25.6
97.10148	22.3
99.08069	4.2
100.52798	2.8
105.07023	51.2
107.04925	11.4
107.08581	24.5
109.06517	9.2
109.10128	12.6
111.08046	8.0
112.13795	2.6
115.05434	4.2
117.06996	31.5
119.04943	6.5
119.08582	28.3
120.08096	6.8
121.06470	10.3
121.10097	9.4
123.08044	7.6
123.11688	16.7
125.09589	7.7
128.06245	7.7
129.06975	19.8
131.08562	22.5
133.06445	4.7
133.10107	22.1
135.08025	4.6
141.06961	4.4
143.08551	19.3
145.06456	7.1
145.10109	15.8
147.07988	3.0
147.11652	20.4
149.09645	3.9
151.11183	4.5
151.13292	2.7
153.09143	3.0
155.08543	9.9
157.10106	10.5
159.07947	4.3
159.11691	5.3
161.09552	3.6
161.13239	6.2
163.11191	5.9
169.10123	4.8
171.11676	17.3
181.10258	3.0
185.13290	4.8
187.13258	7.5
189.11151	7.3
189.12758	7.3
193.12260	17.2
195.11650	3.6
207.13719	14.1
211.13226	5.6
227.12764	8.7
229.15781	3.9
243.15919	9.0
247.16826	5.4
249.14871	12.7
262.28308	3.0
267.15817	23.8
277.17844	2.9
281.17493	28.3
285.38199	3.1
305.17432	9.5
320.25769	3.3
349.62350	2.8
351.25186	5.2
353.24619	3.3
367.22861	3.3
381.24460	6.5
399.25232	15.7
403.24628	2.8
417.26303	3.1
455.27783	7.7
459.27347	3.2
473.28864	65.6
491.30042	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	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05498	1.2
55.94888	0.5
57.03435	0.9
61.02905	0.8
67.05496	0.9
69.03411	2.0
69.07053	1.2
70.06586	3.1
70.06907	0.6
71.04983	1.1
71.36608	0.8
71.36968	1.1
71.74430	0.6
72.08132	1.6
74.06062	0.7
79.05485	1.4
81.03400	2.8
81.07039	2.6
83.04990	1.6
83.08625	0.8
84.08105	0.7
85.02893	6.4
86.09702	3.0
87.00800	1.4
91.05455	1.5
93.07016	1.7
95.04948	2.7
97.02876	2.2
97.06494	1.1
99.04429	2.1
102.96174	0.5
105.01863	1.1
105.07018	2.9
107.08572	5.2
109.02836	1.8
109.06510	3.4
109.10112	1.8
111.08000	0.8
119.08583	1.3
120.08102	1.5
121.10104	2.2
122.10512	0.6
123.08037	1.3
123.11672	0.8
127.03912	3.8
131.08516	2.1
133.02853	1.6
133.10115	9.9
135.07948	0.7
137.02345	1.0
137.06020	1.0
139.11102	1.0
145.04916	1.0
149.13220	1.7
150.03093	1.4
153.01820	10.6
153.09079	1.3
158.10869	0.8
159.02869	1.1
165.05457	3.4
173.13231	4.3
179.03435	0.7
191.14284	8.5
192.59334	0.5
209.15373	4.0
227.16304	0.8
232.03522	0.9
274.04660	10.4
283.91586	0.7
299.05234	0.7
302.04172	31.6
313.11523	0.8
317.06525	100.0
334.06174	0.9
334.56509	0.7
377.02228	0.7
394.53705	0.6
402.63995	0.6
493.09790	3.8
499.04584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.1
55.01862	15.2
55.05503	88.3
57.03421	6.6
59.04988	3.8
65.03927	5.7
67.05495	64.8
69.03417	12.4
69.07059	24.2
71.04988	9.5
79.05478	62.4
81.03409	26.7
81.07042	58.3
83.04965	13.8
83.08609	53.5
85.02890	3.3
85.06532	5.2
91.05468	44.0
93.07033	46.4
95.04959	25.7
95.08595	24.2
97.02871	5.7
97.06516	8.8
97.10152	100.0
100.60242	1.8
103.05473	3.6
105.07021	25.6
107.04945	47.2
107.08575	47.8
109.02866	8.3
109.06506	18.9
109.10127	16.6
111.04436	3.3
111.08067	8.6
115.05479	2.3
116.06245	2.5
116.07031	2.0
117.07008	20.6
119.04932	3.0
119.08565	17.9
121.02843	5.3
121.06489	29.7
121.10129	17.9
123.04396	3.0
123.08044	6.5
123.11707	5.8
125.09610	80.6
129.06952	12.5
131.04915	4.2
131.08545	21.3
133.06468	6.2
133.10091	16.3
135.04378	3.3
135.08034	19.0
135.11627	10.2
137.04247	2.0
137.06013	2.7
137.09607	6.7
141.06934	4.6
143.08562	8.1
143.10658	2.1
145.02806	2.6
145.06467	12.0
145.10097	18.0
147.04393	6.9
147.08017	4.5
147.11702	4.7
149.02277	2.9
149.05991	3.4
149.09610	8.3
151.11142	2.7
153.09129	8.0
155.08534	6.8
157.10112	5.9
159.08054	6.5
159.11688	4.7
161.05962	3.3
161.09613	7.9
163.11183	13.9
165.09088	41.3
169.10094	3.6
171.08000	4.1
171.10214	4.4
171.11639	3.7
173.09615	9.0
173.13190	12.9
175.07561	2.2
175.11176	4.8
177.05504	3.9
177.12675	2.6
181.04924	2.5
181.09923	2.3
181.12311	2.2
183.11647	2.6
184.07336	2.9
185.09624	3.0
185.13194	4.5
189.09190	6.1
189.11182	63.6
189.12694	3.2
191.14247	13.8
193.04996	3.0
193.12141	10.4
199.11122	3.9
201.12703	4.5
209.91170	2.1
211.11290	2.1
213.12784	2.3
217.12201	2.6
219.13771	93.5
223.13164	2.7
225.11113	4.5
227.12714	35.0
233.15327	2.8
233.45670	1.9
237.14862	2.6
247.13364	3.7
249.14793	4.7
263.12698	14.8
265.14255	6.2
267.15866	3.0
273.14813	4.4
275.16302	8.6
281.13925	3.9
293.17426	2.7
329.10104	2.9
349.21448	2.5
353.20963	4.5
355.22534	3.1
367.22522	12.7
371.22021	11.3
378.56140	2.2
381.20422	6.9
385.23544	11.3
389.02933	5.3
389.23080	15.2
399.21265	9.4
403.24457	4.9
407.24396	3.0
415.04089	2.5
417.22174	3.7
431.03976	3.1
441.26459	3.5
445.25748	23.7
446.26147	2.7
447.27322	5.2
449.04962	2.6
459.03592	2.6
459.27451	29.5
463.26846	16.7
473.24417	14.9
491.25500	93.5
492.26794	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	491.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54742	0.9
53.03943	1.4
55.01854	2.7
55.05509	8.2
57.03424	2.1
67.05500	16.0
69.03407	2.1
69.07059	3.3
69.97712	3.8
71.04997	6.1
71.11162	0.9
79.05486	15.2
81.03423	2.5
81.07054	15.7
82.08102	0.8
83.04968	2.8
83.08608	3.1
85.06528	1.8
91.05462	10.3
93.07036	14.5
95.04970	7.3
95.08602	8.6
97.06540	1.7
97.10177	6.1
98.20824	1.1
98.95271	0.9
103.05500	1.2
105.07001	6.5
107.04222	1.0
107.04946	17.9
107.08578	7.8
109.06503	6.8
109.10150	8.9
111.08088	1.8
113.41090	0.8
115.05447	1.3
117.06993	4.5
119.08569	7.8
121.06502	12.2
121.10129	6.4
122.07281	1.5
123.08074	1.3
123.11707	7.3
125.09603	4.2
129.06960	3.2
131.04881	1.5
131.08562	8.2
133.06470	1.3
133.10144	2.5
135.08044	4.9
137.05975	1.1
137.09604	12.8
139.11127	1.4
141.06995	1.2
143.08560	2.3
145.06468	4.1
145.10106	3.6
147.08063	3.5
147.11688	1.4
149.09607	2.9
155.08528	1.5
157.06435	1.1
157.10097	1.7
159.08051	3.2
159.11682	2.1
161.09598	0.9
163.11203	1.3
165.09103	100.0
166.09377	1.0
167.10681	2.4
169.10129	1.1
171.08110	1.3
171.11784	0.9
173.09705	1.2
173.13248	2.6
175.11154	1.6
183.08174	0.8
183.10193	1.0
185.13237	0.8
187.14871	1.0
189.11191	3.0
191.14291	2.6
193.12271	1.7
195.11617	1.2
199.13297	2.3
201.11153	2.0
201.96498	0.8
203.14424	1.2
205.12125	1.4
209.09749	1.0
215.14368	1.5
219.13791	3.4
227.56030	0.9
233.15358	2.4
249.14783	2.2
255.13802	1.3
273.14880	2.8
275.16290	2.1
293.24768	1.2
339.23212	1.4
349.21567	3.6
357.24182	1.6
367.22656	8.7
385.23703	12.7
403.24756	2.5
417.26413	1.4
441.26212	2.9
445.26080	0.9
459.27350	28.5
460.27298	1.0
473.28952	2.1
491.23447	1.5
491.30042	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	491.1182
Annotation	Luteolin 3',4'-dimethyl ether 7-glucuronide
Peak:m/z	Relative Intensity
57.32712	0.5
63.37971	0.4
67.05473	0.5
68.99794	0.4
69.03410	0.7
69.43931	3.6
70.06564	0.8
71.04977	0.5
72.08139	0.5
79.05485	0.9
81.03403	1.8
81.07050	0.5
83.04931	0.5
84.08112	0.8
85.02881	1.2
86.09714	0.5
91.05495	0.7
93.07028	0.7
95.04986	0.7
95.08591	0.4
97.02893	0.8
97.06549	0.6
105.06990	0.7
107.04928	0.7
107.08605	0.6
109.02858	0.5
109.10127	0.5
111.04449	0.5
120.08066	0.6
121.10137	0.5
127.03918	0.4
129.05339	0.4
135.04385	1.8
137.02307	0.8
137.05939	0.9
147.04442	0.9
163.03827	0.6
167.03394	0.5
177.05481	0.6
178.67326	0.4
179.03381	0.4
181.04948	8.9
217.66399	0.4
225.14720	0.5
233.02556	0.7
253.04936	0.7
266.65012	0.4
271.06168	0.6
287.05533	1.4
297.07486	0.5
299.05563	0.5
300.06470	1.0
311.09494	0.4
313.07031	1.7
315.08597	100.0
316.09009	3.6
329.10162	0.5
491.12573	2.0
491.30121	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	491.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63132	1.0
55.01848	2.2
55.05496	6.0
57.03431	1.6
65.03944	1.5
65.29981	1.1
67.05493	8.5
69.07053	2.1
69.09107	1.3
69.18498	12.1
71.04968	1.7
79.05483	8.6
81.03415	5.7
81.07048	10.2
83.04985	1.4
83.08604	3.3
87.25124	1.2
91.05461	16.0
93.07033	7.6
95.04948	5.8
95.08595	5.3
97.06441	1.5
97.10155	3.1
102.04663	10.2
103.05457	11.7
105.07036	9.0
107.04896	2.0
107.08591	4.3
109.06535	1.6
109.10139	2.3
111.08097	1.8
115.05416	2.7
116.06171	1.7
117.07024	4.3
119.04906	2.1
119.08562	5.0
121.06479	2.2
121.10112	1.7
123.11735	1.8
124.01575	1.9
125.09609	2.0
129.06985	3.9
130.04114	9.3
131.04922	8.6
131.08546	4.0
133.06506	4.5
133.10133	4.2
135.11673	2.2
143.08562	2.1
144.05630	2.0
145.06512	1.4
145.10104	3.2
146.03651	3.6
147.04399	10.6
147.11639	3.7
149.05981	2.5
149.09630	2.6
151.03865	2.0
153.01816	38.3
157.10114	1.5
159.00806	1.3
161.05971	8.4
161.09602	1.2
162.06749	18.3
175.11189	2.1
177.05299	1.3
193.12289	1.6
197.05890	1.2
202.06244	1.4
207.13782	1.9
213.05443	12.6
214.60199	1.2
220.17708	2.0
227.03464	3.3
227.12692	1.5
229.04892	2.2
230.05757	2.0
239.56830	1.2
240.04152	2.3
241.04903	24.4
242.05911	1.7
243.02811	1.7
243.06581	1.9
249.14783	1.4
253.04962	1.6
255.02812	2.8
255.06532	15.6
256.07294	4.9
258.05167	6.8
267.15820	2.6
269.04312	7.9
270.05209	2.8
273.07529	6.6
281.17389	1.2
283.06088	3.7
284.03400	1.6
284.06802	4.8
285.04306	1.4
285.07495	3.0
286.04721	11.4
286.08176	3.0
287.05438	2.7
298.04730	3.5
299.05460	14.5
301.03738	2.4
301.07068	7.2
305.17474	1.6
311.05371	3.6
312.06268	2.9
313.07013	14.5
314.04224	2.8
314.07666	14.4
315.05017	5.3
316.05737	3.6
327.05133	2.0
329.06528	38.8
330.07214	3.9
331.08243	6.4
350.24094	3.8
357.89505	1.3
381.24402	2.0
399.25577	1.8
441.91318	1.3
459.10684	100.0
460.10965	3.5
473.29153	6.3
491.13306	49.2
491.29572	4.4
492.13455	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	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01846	5.8
55.05497	1.8
59.04978	2.3
61.02906	3.3
64.07558	2.0
67.05502	4.4
69.03416	10.5
69.45897	16.4
70.06565	6.6
71.04971	5.0
72.08147	2.9
73.02884	3.7
81.03419	9.8
81.07042	5.7
83.04949	4.8
84.08120	3.8
85.02899	28.9
85.06532	2.2
86.09682	6.9
87.00820	11.6
90.07660	2.1
91.05450	3.3
93.06983	1.8
95.08598	4.7
97.02871	20.8
99.04440	7.8
105.01863	12.0
105.07007	4.8
107.08573	4.9
109.02859	11.0
109.06501	100.0
110.07153	1.7
119.04920	2.5
119.08541	3.9
120.08047	2.4
121.10115	4.2
123.08024	13.3
127.03897	21.2
131.08539	6.7
132.43954	1.7
145.04930	7.9
147.07950	1.8
147.11670	4.1
149.09605	19.2
151.03929	2.4
151.07516	5.3
156.09383	2.1
159.02876	6.0
161.13229	2.5
171.11583	2.5
189.08636	1.6
189.12740	12.3
201.12238	2.2
207.09625	6.2
207.13786	61.7
207.15764	3.2
213.03751	2.0
231.05002	6.8
235.50922	1.8
243.13297	2.3
261.46994	1.9
370.52097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1178
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
52.66072	0.1
70.06556	0.3
71.38857	0.1
71.42118	0.3
78.26113	0.2
86.09660	0.2
111.23798	0.1
118.95831	0.1
128.12111	0.1
151.03940	0.1
153.01785	0.4
162.85190	0.2
167.03351	0.2
207.92325	0.1
229.04916	2.1
231.10355	0.1
257.01770	0.3
257.04398	4.5
272.06747	9.5
273.07095	0.3
285.03763	0.7
287.05371	0.2
299.05420	1.1
300.06244	36.6
301.06604	1.2
315.08566	100.0
316.08945	3.7
491.11771	5.1
491.20114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
50.91602	0.2
53.03929	0.3
54.16793	0.2
55.01848	0.2
55.05509	1.9
61.87466	0.1
62.34206	0.1
65.03901	0.2
67.05496	1.8
69.03391	0.3
69.07026	0.6
70.06532	0.2
71.04954	0.3
71.43004	0.2
71.52664	0.2
78.63221	0.2
79.05483	1.9
81.03404	0.9
81.07046	1.7
83.04948	0.4
83.08603	1.3
85.02864	0.3
85.06473	0.2
86.09709	0.2
91.05463	1.5
93.07041	1.4
93.91322	0.2
95.04964	0.9
95.08633	0.8
97.02853	0.3
97.10159	1.9
105.07030	1.0
107.04948	1.4
107.08584	1.7
109.02850	0.4
109.06469	0.7
109.10117	0.5
111.08033	0.6
112.15687	0.2
113.37225	0.2
117.06975	0.8
119.04917	0.2
119.08551	0.7
120.08100	0.2
121.02835	0.8
121.06538	0.9
121.10106	0.6
123.08053	0.3
125.09622	1.5
125.49988	0.2
128.06230	0.2
129.06931	0.5
131.04877	0.2
131.08548	0.8
133.06487	0.3
133.10088	0.7
135.04399	0.4
135.07993	0.5
137.05975	0.5
137.09599	0.2
143.08545	0.3
145.06453	0.4
145.10103	0.4
147.04376	0.3
147.07983	0.5
147.11676	0.4
148.05142	0.2
149.05925	0.2
151.03839	0.2
151.11102	0.3
153.01796	0.4
153.09071	0.4
155.08543	0.2
157.10100	0.4
159.08015	0.2
159.11743	0.2
161.05884	0.2
161.09560	0.6
163.07486	0.4
163.11127	0.3
165.09116	0.9
173.13220	0.4
175.11127	0.3
176.14331	0.2
177.05367	0.2
183.11726	0.2
185.09630	0.2
189.05505	0.2
189.09412	0.2
189.11169	0.9
193.12161	0.5
201.12610	0.2
203.10674	0.5
209.11674	0.2
219.13782	1.3
221.11455	0.2
227.12851	1.1
229.12135	0.2
247.13261	1.1
257.04422	27.3
258.04733	1.0
272.06769	10.0
273.07297	0.3
275.16302	0.2
300.06241	2.6
304.37360	0.2
315.08588	100.0
316.08929	4.0
343.22757	0.2
353.21066	0.2
367.22614	0.2
381.20496	0.3
385.23532	0.4
399.21378	0.3
441.56723	0.2
445.25632	0.4
459.27451	0.6
463.26941	0.4
472.47745	0.2
473.25186	0.8
491.12042	1.9
491.25601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03943	1.7
55.01875	1.5
55.05507	17.7
57.03433	5.7
57.07068	2.0
59.05000	1.5
62.38916	1.0
64.25430	1.1
65.03926	2.1
67.05499	58.7
69.07061	13.5
70.20323	5.5
71.04993	3.7
77.03948	1.2
79.05483	29.1
81.07048	33.8
83.04970	2.9
83.08611	8.4
85.06539	2.7
91.05471	27.6
91.06020	1.7
93.07037	33.0
94.24575	1.0
95.04990	3.5
95.08599	26.0
95.09184	1.9
97.06512	2.7
97.10181	4.7
98.20825	1.2
105.07023	24.7
105.07685	1.7
107.08578	19.4
109.06464	1.6
109.10146	35.9
111.08079	3.1
117.06989	10.0
119.08572	28.8
121.10139	18.4
123.08118	2.1
123.11730	2.6
125.09634	2.0
129.07011	4.8
131.08549	17.2
133.10118	18.8
135.11682	8.2
137.09645	3.7
139.11140	1.9
141.06990	2.3
143.08548	5.4
145.10112	20.9
145.11185	2.0
145.73428	1.1
147.08113	1.4
147.11662	9.6
149.13246	5.3
155.08568	4.6
155.10620	1.5
157.10101	6.6
159.11681	12.7
161.09587	1.6
161.13286	6.7
163.11209	1.6
163.14833	2.3
169.10132	4.7
171.11641	5.4
173.11760	6.9
173.13289	8.8
175.14851	3.3
182.09169	1.1
183.11758	3.2
185.13214	6.0
187.14822	4.1
197.13338	3.4
199.14868	3.1
201.16431	2.1
211.14842	2.0
213.14767	1.6
213.16515	2.9
225.16502	1.9
239.18036	1.5
241.19601	1.4
245.19261	1.1
253.19830	1.3
257.19055	1.5
259.20517	1.8
261.22247	3.8
273.22302	2.2
289.21719	1.5
299.23886	2.4
317.25073	1.6
345.78320	1.0
363.25558	1.8
377.26913	4.1
379.29938	11.2
391.28442	2.1
397.31049	17.7
415.32184	5.2
433.33026	1.7
453.33325	1.6
471.34732	14.6
472.35220	1.5
489.35858	100.0
490.35907	6.8
490.61728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01851	0.5
55.05498	2.2
67.05502	6.4
69.03423	0.9
69.07044	1.3
70.06604	0.8
71.04993	0.7
71.52500	0.8
79.05482	1.4
81.03406	0.9
81.07050	6.5
83.04964	0.7
83.08610	0.7
85.02875	0.7
85.06522	1.4
86.09726	0.6
91.05477	2.4
93.07026	3.6
95.04942	1.1
95.08604	10.9
97.06461	0.5
99.08045	0.6
105.07014	1.7
107.04915	0.8
107.08593	2.3
109.06474	1.0
109.10162	7.1
111.08054	0.5
113.06013	1.4
113.09624	1.1
119.08575	3.8
121.10151	1.1
122.07260	1.5
123.08063	1.6
123.11716	2.7
129.06955	0.6
129.09085	0.5
131.08554	0.8
133.10121	1.2
135.08051	0.5
135.11745	0.6
137.09602	12.0
141.09067	2.9
142.70041	0.5
145.10115	1.2
147.04416	0.7
147.08092	0.5
147.11601	0.7
149.09592	3.3
149.13213	0.6
151.07520	2.6
151.11197	0.5
157.08655	0.9
158.96918	0.4
159.11729	1.2
161.13269	0.9
163.11276	0.6
165.09099	100.0
166.09409	1.2
169.08638	0.8
175.11244	0.8
175.14711	0.6
177.09007	0.5
179.10727	1.0
187.09590	2.3
189.09059	1.1
189.12733	0.8
201.11154	0.9
203.10634	3.7
203.14435	0.9
203.17967	0.9
205.12213	5.0
207.06444	0.5
207.10191	1.2
213.63936	0.5
223.13293	0.6
291.23416	0.9
307.22583	0.8
319.22672	0.7
337.23718	2.3
425.30533	1.0
425.47467	0.5
427.63409	0.5
443.31689	1.5
472.13068	0.5
489.23676	0.7
489.31882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01858	1.2
55.05502	17.6
57.03426	3.4
57.07056	2.8
59.04987	2.7
65.03931	3.2
67.05494	85.8
69.07057	15.2
70.62408	3.0
71.04972	2.7
79.05476	32.2
79.05830	0.6
81.03394	1.2
81.07042	39.9
83.04960	2.5
83.08598	9.9
85.06524	2.1
91.05463	25.8
93.07029	36.6
95.04958	4.5
95.08591	31.4
97.06508	3.6
97.10155	3.1
100.73365	1.0
103.05487	0.9
105.04502	1.1
105.07013	23.3
107.08575	20.6
109.10138	49.8
111.08078	2.2
117.06986	8.6
117.51735	0.9
119.08566	28.2
121.10115	17.2
123.11713	2.8
125.09577	2.9
129.06995	3.5
131.08542	16.9
132.87819	0.9
133.10104	15.5
135.11659	8.3
137.09624	1.9
139.11143	1.3
141.06963	1.6
143.08542	6.4
145.10106	15.8
147.11676	12.6
149.09615	1.3
149.13243	5.5
151.14679	0.8
155.08513	2.3
155.10632	2.6
157.10075	5.6
159.11674	9.9
161.13248	6.5
163.14824	2.3
169.10114	2.6
170.91397	0.8
171.11588	5.7
173.11736	11.2
173.13275	8.8
175.14822	2.7
178.27338	0.9
182.10992	1.0
183.11662	3.2
185.13167	5.5
187.14784	4.4
188.92505	2.0
195.11707	1.4
197.13295	3.1
199.14812	3.1
200.02486	0.9
201.16235	2.0
211.14905	1.4
215.89040	0.9
225.16412	0.9
226.94203	1.3
227.17990	1.0
229.14211	1.3
244.95326	1.1
253.19652	1.2
255.21051	1.1
261.22141	3.6
265.14816	0.9
271.20477	1.3
285.22195	2.3
299.23712	2.3
303.23248	1.3
315.23108	1.0
317.24768	2.6
335.16696	1.4
339.33832	1.1
361.63525	0.9
377.26849	1.1
379.29944	9.6
391.28455	2.1
397.30911	14.5
415.32001	4.4
417.30307	1.0
433.33356	1.5
467.26627	0.9
471.16095	5.5
471.34641	10.5
472.16229	1.6
489.35690	100.0
490.35977	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	487.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03942	10.9
55.01850	3.7
55.05508	24.5
57.03417	3.0
57.07055	2.0
59.04975	1.5
65.03934	5.1
67.05502	77.0
69.03421	2.4
69.07063	15.2
71.04977	4.0
71.36291	1.6
71.52481	2.1
73.06540	3.7
77.03919	2.1
79.05489	100.0
80.05839	1.3
81.03403	12.7
81.07053	58.8
81.07536	3.1
83.04976	16.8
83.08606	7.9
85.06544	3.4
91.05475	80.1
92.05814	1.7
93.07036	75.1
95.04967	30.5
95.08603	36.9
97.06525	6.0
97.10175	4.0
103.05438	1.6
105.04515	4.3
105.07024	63.7
107.04948	10.4
107.08582	27.7
109.06523	10.2
109.10139	5.4
115.05431	2.3
117.07021	15.5
118.06512	1.8
119.08572	36.3
119.09377	2.7
121.06480	6.5
121.10129	8.5
123.08071	7.7
123.11699	1.3
127.07523	2.4
128.06226	4.6
129.06989	21.4
131.08556	6.9
133.06473	1.8
133.10118	16.4
135.08043	1.7
135.11734	3.6
137.09653	1.9
141.06978	1.5
142.48619	1.7
143.08575	12.0
145.06517	1.7
145.10118	12.0
147.08040	4.7
147.10509	3.3
147.11673	46.9
157.10260	1.3
159.11627	2.8
161.09555	6.9
161.13226	23.8
163.11185	2.5
164.08612	1.2
165.09180	1.4
169.10139	1.4
171.11671	38.4
172.84930	1.3
179.14337	4.4
185.13354	1.6
189.12744	17.5
207.13791	42.7
207.15761	2.2
225.14847	11.4
230.89143	1.4
281.17538	5.1
382.91168	1.8
406.31650	1.5
487.30533	45.3
488.30887	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.05504	11.4
57.03430	13.6
57.07060	4.0
65.03931	2.2
67.05502	46.7
69.07068	13.1
69.56478	9.5
71.08620	1.4
79.05487	36.5
81.03458	1.5
81.07049	56.0
81.07523	3.2
83.08598	6.0
85.06539	2.0
91.05474	20.4
93.07039	45.2
93.07638	2.2
95.04967	2.5
95.08601	40.3
97.06551	2.8
97.10159	2.9
98.20808	1.4
98.98459	65.6
105.07024	18.6
107.00108	1.3
107.08583	32.0
109.06515	2.8
109.10149	22.0
110.86317	1.4
111.00138	1.2
111.08044	2.8
113.09540	1.5
116.99456	2.6
117.07018	8.7
119.08559	18.8
121.10131	24.0
123.11724	7.1
131.08556	14.4
133.10085	9.6
135.11673	18.1
136.99971	4.8
137.09593	1.4
137.13225	2.0
141.09166	1.5
141.15472	1.3
145.10123	10.8
147.11671	10.6
149.13278	12.0
153.12737	1.6
155.01031	56.8
159.11687	9.5
161.13254	11.3
163.11147	1.5
163.14844	6.5
171.11662	1.7
173.11943	1.4
173.13216	6.8
175.14816	4.1
176.02094	1.5
177.05455	2.5
177.16414	2.1
187.14772	4.6
189.16338	1.9
199.13142	1.4
199.14969	1.4
201.16487	1.3
211.03694	4.7
229.04713	7.7
243.21072	19.7
261.22092	34.6
277.21619	2.2
299.23596	2.8
317.24722	15.3
335.25769	100.0
336.26202	1.9
397.31216	1.6
415.22263	4.5
471.24905	12.1
489.36407	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	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	10.9
57.03421	3.3
58.99572	14.2
67.05183	3.2
67.05499	38.2
69.03429	4.1
69.07051	7.1
69.36623	23.0
70.06572	6.6
71.78008	2.4
72.08134	2.7
76.02216	71.7
76.03984	2.8
79.05479	15.2
81.03375	3.1
81.07043	29.1
83.04957	3.0
83.06086	3.6
83.08610	4.1
84.04492	24.1
85.02890	5.6
86.09677	7.7
86.99012	3.5
91.05442	14.4
93.07047	15.6
95.04957	5.7
95.08593	47.2
97.02882	3.2
105.07007	12.5
107.08566	9.4
109.06493	5.2
109.10162	29.5
116.01680	23.9
117.03360	4.1
119.04907	7.5
119.08575	15.5
120.05210	3.0
121.10115	6.5
123.08035	4.3
129.06567	5.5
130.04958	8.1
133.10074	4.1
137.09633	5.9
142.03163	5.1
144.01137	12.9
145.02817	10.2
146.03064	2.9
147.04367	24.6
148.04761	15.5
151.14787	16.5
160.60538	2.7
161.09595	3.0
161.13251	10.9
162.02171	41.3
163.03888	4.4
177.05461	22.0
178.05775	11.0
179.04834	100.0
179.14256	33.2
203.17749	3.1
231.23343	2.6
233.05943	14.4
237.13031	4.9
241.08313	3.6
245.05879	3.9
308.08978	15.1
339.17242	12.3
411.19519	16.2
468.21896	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	486.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52299	1.4
50.87696	1.4
53.03952	1.7
55.05506	11.1
56.05028	2.3
58.99584	16.9
63.97178	1.7
65.03937	1.9
67.05501	41.0
67.38785	1.4
69.03419	3.1
69.07064	7.2
70.06598	2.6
71.04971	2.2
71.05883	1.5
71.52620	2.9
72.08143	1.9
76.02223	68.2
76.03993	3.1
79.05485	11.3
81.03389	2.2
81.07056	33.5
83.04977	2.9
83.06090	3.9
83.08630	3.6
84.04506	20.6
84.08150	1.7
85.01127	3.8
85.02895	4.1
86.09699	2.8
86.99055	3.4
88.02230	3.5
91.05486	9.3
93.07033	13.7
95.04953	6.4
95.08603	52.9
97.06522	3.2
99.02621	1.5
99.05547	2.9
105.07017	9.7
107.04957	2.2
107.08602	9.5
108.05843	1.6
109.06494	3.9
109.10147	33.4
110.10499	2.4
116.01674	25.3
117.03357	3.0
117.07038	3.1
119.04951	3.9
119.08595	11.5
121.10169	4.9
123.08062	5.0
127.03962	2.0
129.06636	5.2
130.04999	5.1
130.06857	2.0
130.08604	1.6
131.08557	1.8
133.10149	4.6
134.09645	2.3
135.11678	2.6
137.09578	3.6
141.04807	1.8
142.03194	5.1
144.01155	14.4
145.02837	6.4
145.06000	2.1
146.03140	1.9
147.04417	10.9
148.04762	4.2
151.14803	17.2
161.13228	11.3
162.02205	45.1
162.60793	1.6
170.02664	3.2
177.05489	11.4
178.05815	5.3
179.04846	100.0
179.14290	35.1
187.05333	3.8
203.14375	1.8
216.06990	1.8
228.26237	1.8
233.05873	18.2
236.14685	2.6
237.13000	2.7
259.09738	2.1
291.06451	2.2
296.42569	1.6
303.37555	1.5
308.09024	10.7
320.47116	1.7
339.17300	12.4
393.18658	1.9
411.19504	20.4
468.21680	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	487.1747
Annotation	isogemichalcone B
Peak:m/z	Relative Intensity
53.48631	0.2
55.05509	0.2
65.03633	0.3
65.03932	1.8
67.05506	0.3
70.77605	0.4
76.38421	0.2
79.05508	0.3
81.07047	0.6
83.08626	0.2
91.05471	16.3
93.07050	0.2
95.04955	0.3
95.08614	0.4
105.06993	0.4
107.04933	0.9
107.08601	0.3
114.67776	0.2
119.04928	32.2
120.05267	0.3
121.10150	0.2
129.06929	0.2
133.10081	0.3
137.05952	0.9
145.10124	0.3
147.04391	100.0
148.04741	1.7
161.05984	0.2
171.08054	0.5
173.09740	0.2
187.07587	0.3
191.08598	0.2
199.07539	0.8
202.07755	1.0
203.08546	2.1
205.06459	0.5
219.08067	0.8
220.08842	1.5
231.08060	2.3
232.08711	0.6
233.05934	0.4
233.09689	0.2
244.62321	0.2
247.07484	0.5
248.08293	4.2
249.08961	0.6
250.06227	0.2
259.07574	0.8
260.08340	0.5
261.09085	0.4
262.06528	0.2
262.09747	0.5
263.10651	2.9
265.08530	0.5
274.93112	0.2
276.07745	2.0
277.08557	1.4
290.09534	0.2
291.10117	15.2
292.10770	0.9
293.08041	1.2
305.11719	1.0
308.10349	0.8
309.11139	0.7
323.05521	0.5
323.08926	0.5
323.12735	10.4
324.13181	0.4
487.21347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.9
55.05503	3.1
61.02919	2.7
65.03951	2.2
67.01882	2.0
67.05493	2.3
68.99785	4.2
69.03423	3.2
69.07059	3.4
69.64713	14.2
79.05479	4.7
81.03391	4.6
81.07033	2.2
85.02898	8.3
87.00854	2.2
89.03866	2.0
91.05470	7.1
93.03378	5.7
93.07018	3.8
95.01369	1.9
95.04955	6.6
95.08636	2.9
97.02871	3.5
103.05492	2.4
105.03395	2.4
105.07019	2.3
107.04941	5.2
107.08568	2.9
109.02882	6.6
115.05441	3.8
117.07005	2.8
119.04961	11.1
121.02850	7.9
121.06561	3.0
123.04401	2.4
127.03880	3.8
129.01826	5.4
131.04924	7.9
133.06445	2.6
133.10085	3.2
135.04437	11.1
139.03909	5.6
145.02812	7.5
145.06465	4.8
147.04393	25.7
149.02324	5.9
149.05951	7.1
151.03870	8.2
159.04422	16.2
163.03894	10.6
173.05965	7.3
175.03886	14.9
177.05460	41.1
181.04945	18.2
187.03876	16.9
189.03931	2.5
189.05469	2.9
191.07039	6.1
193.04944	42.5
197.05992	5.7
201.05469	21.3
205.04951	34.8
207.06447	1.9
215.07053	2.8
217.04959	4.0
219.06500	32.6
221.04425	5.9
223.05994	100.0
224.06290	3.2
225.05380	10.3
229.04958	13.5
231.06471	3.4
233.08073	5.3
235.05969	2.5
237.11194	4.2
243.06541	29.7
245.04478	3.8
247.06001	85.5
248.06308	2.7
249.11298	3.8
253.04858	5.5
261.07733	2.2
261.11148	6.6
271.05984	26.7
279.12277	10.7
289.07043	87.6
290.07553	2.8
303.12228	10.3
307.08075	3.5
327.12250	6.2
345.13144	5.1
349.08865	2.8
393.08081	30.3
411.09192	63.2
412.09375	2.9
429.10233	7.8
449.14258	5.2
467.15744	2.9
485.29068	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	485.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.80124	1.5
55.01868	2.9
55.05497	1.5
55.89270	1.5
57.44566	2.0
62.51133	1.5
65.03922	3.7
67.01884	2.0
67.05499	2.7
68.99783	2.2
69.03423	6.1
69.07066	2.5
74.91775	1.7
79.05502	2.8
81.03403	4.7
81.07036	3.2
85.02894	11.4
86.04824	1.4
87.00801	2.2
91.05473	7.8
93.03401	5.3
93.07045	2.7
95.04946	5.0
95.08595	2.2
97.02873	4.8
98.20820	4.4
103.03960	1.8
104.87049	2.2
105.07023	3.8
107.04950	4.1
107.08606	2.0
109.02919	2.7
111.04441	2.0
115.05412	3.0
117.03352	2.7
117.06982	2.4
119.04931	7.7
119.08580	3.2
121.02867	8.3
121.06499	2.8
123.04424	3.6
127.03915	4.5
129.01860	3.9
131.04922	7.7
131.08540	2.4
133.06523	2.8
135.04355	10.0
139.03889	5.8
141.06934	2.3
143.04933	2.9
145.02861	5.4
145.06465	4.2
145.10072	2.3
147.03317	2.5
147.04413	19.0
149.02359	5.0
149.05984	7.3
151.03923	8.1
156.29335	1.8
159.04402	14.3
159.07990	1.9
161.05983	1.8
163.03888	13.5
165.05411	2.3
169.06447	2.3
173.05946	7.9
175.03891	17.1
177.05450	41.7
181.04921	15.6
187.03877	14.3
189.05527	2.3
191.07047	6.4
193.04944	40.0
195.06293	1.9
197.05994	3.7
201.05418	21.4
205.04938	40.3
205.06714	3.0
215.07059	5.5
217.04948	4.1
219.06491	32.2
221.04405	10.4
223.05986	100.0
225.05438	13.4
229.04918	16.7
231.06468	2.6
235.06042	3.3
237.11293	3.5
243.06520	26.6
245.04475	3.4
247.05995	93.5
248.06488	2.6
249.11288	2.0
253.04950	5.2
259.06055	2.0
261.07611	4.1
261.11249	6.3
271.05975	27.9
279.12418	10.6
289.07022	85.5
290.07373	2.0
299.12759	2.3
303.12219	9.9
307.08160	3.5
325.08896	3.2
327.12164	6.6
345.13422	5.1
375.06998	2.3
393.08041	26.9
411.09177	61.1
429.10394	3.6
449.14288	4.0
467.15356	4.8
492.76355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25486	1.3
56.96550	1.4
58.61687	1.4
60.04224	2.1
60.04519	37.0
69.20544	7.8
69.20969	8.5
70.02914	1.5
70.06597	6.7
71.06102	2.2
72.04492	1.5
72.08128	3.4
74.02435	1.6
84.04485	1.9
84.08179	1.5
86.09702	8.4
87.05576	2.8
91.05480	23.2
93.95055	1.4
95.04967	1.4
95.06007	1.6
98.21555	3.3
98.97604	7.7
99.05550	9.4
103.05449	4.4
105.03384	7.0
105.07042	2.4
106.06548	4.0
107.04961	4.9
115.05436	3.8
116.07021	1.7
116.98593	4.5
117.05762	1.8
117.06976	3.0
118.06528	34.3
119.04928	6.4
119.07294	4.3
120.07243	2.7
120.08091	37.6
123.04454	6.7
128.06212	2.1
129.07002	20.2
130.06522	3.4
131.04909	1.9
131.07266	1.9
132.08087	4.1
134.06021	1.7
134.99637	1.6
136.07565	31.2
137.07889	1.4
144.04500	2.2
144.08070	23.5
146.06000	25.5
146.09633	100.0
147.04373	4.2
148.07538	3.9
156.08090	21.1
158.99680	4.2
160.07564	5.0
161.10738	2.8
162.05486	3.2
164.07037	5.9
165.05492	10.1
167.08525	5.7
169.10107	3.2
171.39552	1.4
172.07588	6.6
173.01183	3.4
174.05444	4.2
176.07068	1.9
177.00732	6.8
178.08635	5.5
179.08562	3.0
182.08104	28.6
182.09479	1.4
187.08684	4.2
188.07062	4.9
189.10179	3.9
190.10995	21.3
191.02269	3.6
191.11775	18.7
195.08075	3.4
196.11168	2.0
200.07059	16.0
206.08160	6.6
206.09798	1.8
207.08099	2.7
208.11125	1.8
209.09630	2.0
217.09714	48.8
219.01776	3.9
219.08073	3.4
220.99770	1.7
221.09569	2.0
222.07855	1.7
223.07510	13.3
223.10738	5.3
225.09285	1.5
228.10172	3.0
233.03220	2.3
233.09251	9.8
235.10692	2.2
236.10646	18.7
247.07455	2.0
249.08690	5.6
251.10222	7.9
260.10773	1.6
261.02820	3.0
265.08569	10.5
269.11288	17.1
270.11389	8.9
277.61008	1.7
279.04016	1.9
279.09656	3.6
281.12628	1.8
282.11234	18.5
295.09320	2.4
304.12933	5.7
309.12384	1.6
323.14001	2.8
327.13123	2.4
340.11884	1.6
357.14453	13.3
369.14420	12.7
380.16159	1.8
396.15674	2.4
398.16861	3.5
414.16425	7.0
424.14804	3.3
442.16049	30.5
448.26859	1.6
457.20895	3.2
467.19061	8.5
468.17697	11.7
485.20004	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	485.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37251	0.5
55.76165	0.3
56.92942	0.4
65.03938	1.5
67.05494	0.6
69.07067	0.8
69.51971	1.9
69.52389	1.2
76.02205	0.6
79.05483	0.8
81.03407	1.0
81.07056	1.7
85.02912	1.1
89.03900	5.6
91.05474	12.6
91.77076	0.4
93.07046	0.5
94.77363	0.3
95.04985	0.4
95.08592	1.1
96.43544	0.4
97.02882	0.6
97.06506	0.4
98.20820	0.9
99.04380	0.5
105.07025	0.4
107.04942	0.6
107.08598	0.7
109.02857	1.3
109.10152	1.0
110.07127	0.4
114.09340	0.4
117.02530	0.6
117.03372	14.9
119.04930	28.3
119.08572	0.9
120.05138	0.5
121.06343	0.5
121.10133	0.5
127.03891	0.9
131.08572	0.5
134.03600	1.4
135.04388	1.4
145.02834	37.8
145.10092	0.5
147.04395	100.0
148.04764	1.2
149.05963	5.8
163.03937	0.8
177.05450	79.6
178.05786	0.9
186.05443	1.1
195.06512	0.4
201.16386	0.5
237.18552	0.5
341.56088	0.5
461.50314	0.5
485.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
57.07803	0.4
59.55178	0.4
63.02354	0.5
65.03938	1.5
66.37239	0.4
66.80203	0.4
67.01845	1.0
67.05507	0.9
67.48904	0.4
69.03399	0.8
69.07075	0.7
70.30801	0.4
70.31142	1.5
71.04990	0.6
79.05487	0.8
81.03404	1.0
81.07056	1.4
81.65868	0.4
84.08126	0.4
85.02905	0.6
89.03903	5.4
91.05471	11.0
93.07034	0.6
95.08593	0.7
97.02890	0.5
97.78764	0.4
99.63605	0.5
105.06955	0.4
107.04937	0.5
107.08589	0.9
107.84120	0.4
109.02852	2.3
109.10140	0.5
111.98067	0.4
117.03362	17.5
119.04926	25.3
119.08572	0.7
120.05267	0.4
121.10111	0.8
127.03880	2.2
133.10167	0.5
134.03616	1.1
135.04414	1.7
135.11737	0.5
145.02832	44.0
145.10152	0.4
146.03149	0.6
147.04390	89.3
147.11656	0.4
148.04710	0.6
149.05962	6.3
157.10072	0.7
163.03845	0.7
177.05447	100.0
178.05792	1.3
186.05486	1.9
285.07431	0.7
303.08606	3.4
410.11667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
55.05489	0.6
55.63161	0.3
63.02377	0.4
65.03932	1.9
67.05487	1.0
69.03429	0.4
69.07067	0.6
69.29658	1.3
69.30080	2.6
70.06584	0.3
78.63363	0.4
79.05497	1.0
81.03422	0.9
81.07053	1.1
84.09477	0.4
85.02886	1.3
89.03905	5.8
91.05468	14.0
93.07063	0.9
95.04965	0.7
95.08597	0.9
97.02893	0.5
97.52874	0.3
98.20666	0.6
103.05460	0.4
105.07008	1.3
107.08595	0.6
109.02876	0.9
109.10126	0.7
117.03366	15.4
119.04926	27.4
119.08577	0.7
121.10114	0.8
123.04423	4.3
127.03897	0.8
133.10104	0.8
134.03615	1.2
135.04416	1.4
137.02351	0.5
141.48427	0.4
145.02827	38.8
146.03169	0.7
147.04388	100.0
148.04684	1.3
149.05939	5.1
163.03799	0.7
177.05447	86.6
178.05809	1.5
181.06540	0.6
186.05463	1.4
197.06023	0.6
219.17432	0.5
225.15474	0.4
235.16907	1.1
236.17169	1.1
237.05396	2.3
237.17422	0.9
243.06476	1.3
265.04974	3.3
305.07904	0.5
329.08054	1.1
345.07373	0.9
357.07352	0.8
361.06927	1.0
363.08640	0.8
375.08514	5.5
399.28149	0.4
485.11932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1283
Annotation	Hyperielliptone HC
Peak:m/z	Relative Intensity
53.03934	0.5
55.01858	0.4
55.05482	0.7
55.58640	0.4
56.71841	0.4
67.05508	0.9
68.99809	0.5
69.19741	3.3
69.20166	2.1
71.04966	0.5
79.05476	0.9
81.03405	0.5
81.07051	1.7
83.04977	0.6
85.02886	1.0
91.05468	1.4
93.07041	0.8
95.04975	1.1
95.08594	1.2
95.16338	0.5
96.48053	0.4
97.02900	0.5
97.06538	0.5
105.07043	1.1
107.04948	1.3
107.08599	0.6
109.02895	0.7
109.06521	0.8
109.10130	0.6
115.38702	0.4
119.08544	0.5
121.06422	0.8
121.10097	0.5
123.04434	0.5
123.08074	0.5
124.01548	0.6
129.06995	0.5
132.05664	0.5
133.06476	0.8
135.04384	1.0
147.04440	1.2
147.65797	0.5
149.02299	0.6
151.03871	0.9
153.01773	6.5
161.09599	0.5
162.06711	1.2
165.05492	1.2
170.02112	0.9
172.50455	0.5
177.05511	0.8
203.03386	1.0
213.05441	1.1
216.04140	2.4
228.04120	0.9
231.02957	1.0
235.16989	0.7
241.04851	0.7
242.05785	2.2
243.06450	3.1
253.04985	0.6
255.02853	0.6
255.06465	1.0
256.07407	1.2
257.04385	2.9
258.05283	2.2
269.04477	3.0
270.05261	3.6
271.05978	1.6
272.06937	0.7
273.03943	1.9
274.04672	0.5
283.06003	3.6
284.06796	1.3
285.04126	0.9
285.07578	1.3
286.05045	1.0
286.08331	6.4
287.05493	6.5
291.05289	0.6
299.05441	3.6
301.03409	1.0
301.06970	0.9
302.04239	1.6
313.03632	1.0
313.06970	7.6
314.07806	57.0
315.04999	13.9
315.08444	3.5
316.05637	2.9
317.06592	0.5
319.06134	0.6
323.05246	0.6
325.06940	0.6
331.04477	0.6
337.06845	0.6
365.06506	1.2
366.07275	1.9
377.10626	1.0
379.08197	0.7
394.06830	3.9
401.06549	0.6
404.09067	0.8
405.09717	1.6
407.07718	1.2
421.09448	0.7
422.06335	2.2
427.10223	0.8
433.09332	1.5
437.08548	21.3
438.08896	1.0
449.09003	0.7
451.10297	2.6
465.11703	17.6
466.11990	1.0
483.12854	100.0
484.13278	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	485.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
53.88395	0.2
63.02360	0.4
65.03927	1.8
67.05479	0.3
69.03422	0.3
69.07038	0.2
69.40662	0.9
69.41093	0.9
70.06590	0.3
71.05000	0.4
79.05474	0.3
81.03405	0.6
81.07035	0.8
85.02882	0.3
86.09698	0.3
89.03901	2.5
91.05470	14.3
93.07027	0.2
95.05001	0.3
95.08569	0.4
95.42154	0.2
97.95854	0.2
99.04449	0.6
103.05396	0.2
104.10750	0.2
105.07037	0.3
107.08569	0.2
109.02856	1.3
109.10069	0.3
113.40910	0.2
117.03365	8.4
119.04924	29.9
120.05295	0.4
121.04030	0.2
121.10149	0.4
123.04423	0.5
127.03906	1.8
134.03616	0.5
135.04382	0.5
145.02827	15.6
145.10094	0.2
147.04388	100.0
148.04745	1.1
149.05943	2.4
150.55710	0.2
160.19115	0.2
163.03856	0.5
177.05447	33.6
178.05678	0.2
181.04868	0.2
186.05481	0.7
195.06458	0.4
205.04909	0.4
223.05960	0.3
265.04810	0.2
271.06119	0.3
280.16779	0.2
305.14139	0.2
321.09927	0.2
375.08542	0.4
411.08917	0.3
485.12781	0.3
491.55341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.0
55.01862	2.7
55.05505	52.7
57.06794	3.2
57.07069	45.9
57.35583	2.0
59.04985	2.8
67.05498	26.0
69.03421	4.0
69.07067	18.1
71.08620	31.8
79.05492	11.9
81.07043	28.8
83.04956	3.3
83.08157	2.8
83.08616	41.0
85.10164	16.6
91.05457	2.4
93.07059	4.4
95.08601	29.0
96.16847	2.1
97.10156	64.1
99.11719	2.0
101.09701	1.9
107.08575	22.2
109.10158	14.0
118.89191	1.7
123.11668	5.0
125.09614	55.7
135.08020	3.9
137.13182	2.3
143.10672	4.0
153.09055	3.8
171.10129	3.3
189.11195	54.5
227.12764	21.7
229.37114	2.0
239.23698	7.7
345.28885	1.8
483.36786	100.0
484.36987	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	483.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.7
55.01852	5.6
55.05507	33.4
57.03434	39.7
59.46377	5.7
61.02919	84.7
65.02259	4.4
65.03922	6.2
67.05498	86.2
69.03426	50.3
69.07053	17.8
71.01359	10.0
71.04982	7.2
71.52309	5.1
73.02914	40.6
79.05489	78.8
79.99885	4.4
81.03413	32.8
81.07043	100.0
83.04974	10.5
83.08605	10.5
85.02899	85.5
91.03944	52.8
91.05474	50.7
93.07036	76.0
93.55106	4.3
95.04956	18.0
95.08604	92.5
97.02892	69.5
97.06467	6.1
97.10155	5.8
99.04424	13.3
101.02368	15.5
103.03902	11.5
105.07014	43.9
107.08586	55.8
109.02865	19.0
109.06499	7.0
109.10152	39.8
111.04417	5.9
117.06982	17.5
119.08564	34.1
121.06511	6.5
121.10132	33.8
123.08019	6.4
123.11671	13.3
127.03888	33.4
129.05388	6.2
131.08560	23.7
133.10118	21.1
135.11690	29.2
145.04936	12.4
145.10104	20.1
147.11632	12.3
149.09592	7.4
149.13289	11.6
157.10136	11.1
159.11655	19.2
160.20074	4.4
161.09692	6.9
161.13225	8.3
163.14748	6.7
171.11662	8.4
173.13235	13.1
177.12711	5.1
183.06512	5.8
229.19487	8.1
247.20525	15.4
287.75516	4.6
321.24213	97.7
483.29678	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	483.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	8.1
65.52927	1.0
68.98263	1.0
69.03414	2.4
70.06564	1.0
71.04951	1.0
71.51956	1.4
82.99863	2.0
84.96037	1.2
85.02888	5.5
94.99878	0.8
97.02875	3.3
97.96756	0.9
98.97567	7.6
99.89716	0.8
101.00857	7.2
105.88345	1.0
109.02846	1.7
110.97539	2.3
113.00858	2.1
116.98614	6.5
119.01910	24.5
127.02383	1.9
127.03914	3.8
128.98578	4.0
129.10135	0.8
131.01883	12.8
131.99123	1.8
133.03442	3.6
134.99619	3.7
137.02979	4.2
140.98610	1.0
141.98604	1.1
143.00145	1.5
143.01872	16.6
145.03493	11.5
145.04613	1.6
146.99631	3.8
147.01382	1.6
147.03226	1.4
147.04317	1.1
149.02974	4.6
151.04549	1.1
152.99635	4.0
153.00716	0.8
154.99187	1.1
155.00534	1.4
155.01859	16.8
157.03436	7.5
157.07800	1.0
158.99651	2.8
161.01199	1.8
161.01398	1.3
161.02946	26.6
162.00153	2.5
162.03032	1.3
163.04057	1.7
165.00677	1.3
167.01846	5.6
167.98285	1.6
168.00220	2.2
168.98126	1.0
169.03435	3.2
169.98726	1.2
170.99612	3.9
171.05026	2.7
173.01466	1.4
173.02943	42.6
174.00107	1.0
174.03165	2.4
175.04515	3.5
176.98926	1.1
177.00674	4.2
177.02419	3.2
178.99350	2.7
179.02003	2.9
179.98349	1.5
180.00002	1.0
181.03514	1.4
183.01221	1.0
183.05075	1.1
184.04500	0.9
185.02942	45.9
186.03094	2.3
186.99121	6.5
187.04564	5.0
187.99887	4.0
188.98866	2.7
189.00699	7.6
190.98569	1.4
191.03934	2.6
194.00064	1.4
195.00595	2.2
195.03461	1.8
196.04477	1.2
197.02925	16.5
197.04587	1.7
197.99347	2.6
198.01222	2.5
198.99106	0.9
199.04498	1.8
200.98763	2.2
201.00691	3.9
201.02396	34.8
202.02538	1.4
203.00520	0.9
203.03975	16.4
204.01274	1.6
204.04156	0.9
205.00235	2.0
206.98940	2.5
208.04570	1.5
209.02948	3.3
209.99393	3.0
210.01208	1.4
211.04514	1.7
213.02383	8.3
214.02560	1.0
215.03960	9.8
215.99380	9.5
216.49521	0.9
219.03488	97.0
220.03610	3.8
221.05045	3.9
221.99286	1.5
224.03908	0.9
224.66643	0.9
224.99982	10.6
225.02199	1.7
227.03986	9.9
227.50264	1.6
230.99855	4.6
231.03520	10.4
231.49962	0.9
233.05156	1.3
234.00311	1.6
235.01097	1.4
236.50723	1.1
236.99980	1.1
237.02525	2.4
237.04588	3.9
239.04086	1.5
240.00293	7.1
240.02409	3.2
242.05083	4.3
242.50752	1.0
243.03514	3.2
243.19044	1.0
245.05045	100.0
246.05196	4.7
249.00977	2.5
249.04556	9.1
252.00470	9.5
252.03040	1.7
252.50696	1.0
255.03496	4.3
257.04977	6.2
261.00934	18.9
261.04510	12.0
261.51245	2.0
262.04657	1.2
263.06131	12.5
267.00964	2.3
270.01465	5.4
270.51669	1.1
272.51666	2.9
273.04669	2.3
275.06125	11.1
276.01401	1.7
279.06000	5.7
281.52304	1.3
281.57196	1.2
282.01483	15.6
282.51541	1.0
285.04526	2.3
286.07553	1.7
287.52365	1.1
291.01688	5.9
293.07074	3.8
297.02228	1.0
302.52829	1.4
303.02164	1.9
303.05545	24.1
303.08917	1.8
305.07166	9.3
312.02213	4.1
312.52628	0.9
321.06696	32.2
322.06839	2.6
335.08249	4.1
339.07553	1.6
365.09286	8.8
483.11484	16.6
483.18207	1.1
484.12387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	0.4
67.05526	0.3
69.03395	0.5
69.51637	2.0
70.06586	0.4
70.38438	0.3
73.02889	0.4
79.05441	0.3
81.03403	0.6
81.07021	0.4
82.93717	0.3
83.31825	0.3
84.08138	0.3
85.02887	0.8
91.05432	0.5
93.07015	0.4
95.04966	0.4
97.02876	0.7
105.06986	0.4
107.04970	0.4
115.76255	0.3
120.08109	0.7
127.03732	1.0
153.01823	0.6
161.02917	0.4
173.04274	0.5
186.06543	0.7
194.85611	0.3
215.05229	0.6
215.07062	0.4
222.89305	0.4
233.08052	0.6
259.05798	0.7
263.68982	0.4
287.05621	1.0
289.05231	0.7
301.11734	1.0
317.06412	1.0
317.09177	1.7
318.06851	1.7
319.04361	1.0
319.07480	3.3
319.12970	0.8
334.08649	0.3
349.12363	0.9
481.16763	100.0
482.17200	2.4
484.94299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	5.8
60.20265	0.3
61.02918	0.3
62.10613	0.3
68.64679	0.3
70.02931	0.6
70.06604	0.3
71.04593	0.7
72.04510	0.3
72.08147	0.3
75.44011	0.4
81.03402	0.3
86.09697	22.4
86.13237	0.3
87.05584	4.8
88.03970	0.3
91.05475	0.7
93.07047	0.9
103.05454	3.4
107.04948	0.6
107.92613	0.3
120.08092	100.0
121.08421	1.0
128.10696	3.4
134.04474	0.8
137.02419	0.3
137.06123	0.3
173.12843	28.0
177.05643	0.3
201.12323	11.3
228.20438	0.3
245.95518	0.3
249.17209	0.3
261.16199	0.5
263.10352	0.4
269.16248	0.3
281.11298	28.9
282.11688	0.6
287.05536	0.6
303.17154	1.6
319.04358	3.2
327.38580	0.3
348.19238	1.2
407.51501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19882	0.5
50.63391	0.5
52.85154	0.5
53.03936	0.7
54.54637	0.5
55.05514	3.1
56.21255	0.5
67.05505	1.3
71.07368	1.5
71.52922	0.9
79.05461	0.9
81.07046	1.2
86.09702	100.0
87.10046	0.6
89.14499	0.5
89.87054	0.5
90.02219	0.5
91.05496	0.7
93.07027	0.9
93.83125	0.5
95.04950	0.7
95.08607	0.8
97.10170	0.6
103.05457	26.2
104.05739	0.6
107.05051	0.5
107.08641	0.9
118.16623	0.5
120.04459	1.5
131.04921	90.9
132.05244	1.4
146.02377	0.9
166.08781	0.5
174.45766	0.5
174.80632	0.6
216.13821	24.6
230.38441	0.6
237.85112	0.6
244.13322	42.9
245.13678	0.6
333.18158	1.6
344.18448	3.7
351.19092	4.2
481.33664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72923	0.3
55.05500	0.3
56.05032	0.8
57.03426	0.4
57.07068	2.7
58.06567	1.6
60.08159	16.6
67.05499	1.0
69.07049	0.8
69.79646	0.8
69.80054	1.6
71.07365	6.2
71.08619	1.7
72.43651	0.3
74.95358	0.3
81.07046	0.8
83.08613	0.6
85.10179	0.5
86.09698	47.1
87.10030	0.7
95.08604	1.2
98.21535	0.3
98.98454	3.9
103.05453	0.5
104.10732	100.0
105.11079	0.7
109.10154	0.4
119.59702	0.3
124.99993	26.0
131.04926	4.5
132.05247	2.0
143.00995	0.4
153.26903	0.3
163.01572	0.7
184.07324	97.6
184.89912	0.3
185.07727	0.7
190.87396	0.3
193.12256	0.4
216.13863	0.6
217.14163	0.6
244.13377	0.9
245.13647	1.3
258.11005	1.1
288.74896	0.3
299.25949	1.7
299.28671	0.4
322.50177	0.4
453.55240	0.3
464.31351	9.4
482.32397	26.3
483.32669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.6
63.37376	0.5
71.51706	0.6
98.97044	0.4
98.97580	6.4
116.31244	0.5
116.98608	7.1
127.64523	0.4
134.99626	5.1
150.97678	0.6
153.00703	1.0
153.82559	0.5
165.43013	0.5
165.61711	0.5
174.97633	3.5
190.95467	0.8
192.98683	5.8
198.97710	0.6
208.96640	1.8
214.95654	2.0
216.98694	2.5
219.01927	0.4
232.96660	12.0
233.96815	0.5
234.99770	6.6
235.99954	0.6
238.95679	1.4
250.97743	15.2
251.97797	1.0
252.98073	0.5
253.01073	0.7
256.96664	12.9
257.96750	0.6
258.99872	6.8
259.99973	1.4
260.99838	0.6
261.03079	0.6
264.98953	0.6
274.97708	60.6
275.97781	3.2
276.97873	1.2
277.00879	9.4
278.01114	1.5
279.00650	1.3
280.96594	2.4
282.01437	0.8
282.99933	7.8
284.00073	1.4
284.99857	1.6
290.95569	0.6
292.98727	18.3
293.99097	0.9
297.99384	1.6
298.97711	44.7
299.97675	2.8
300.97769	1.0
301.01004	19.9
302.00989	3.1
303.00946	3.4
304.01031	0.9
314.95505	1.2
316.98773	100.0
317.98862	5.8
318.98868	1.8
319.02121	1.1
324.02393	0.7
332.96643	1.6
334.99911	4.6
340.00381	5.9
340.98956	2.0
356.96808	1.0
358.99918	5.8
374.97903	3.4
380.96945	1.3
383.00494	0.8
398.97906	1.8
401.01129	3.8
402.01315	1.5
416.98862	10.7
417.98856	0.8
422.97711	5.9
423.02390	0.6
425.01212	2.4
440.00693	0.7
440.98825	53.8
441.98813	4.1
443.02481	7.0
444.02338	1.8
445.02426	1.1
458.99930	88.8
460.00021	6.9
460.99741	1.7
461.99646	0.5
477.01025	1.6
481.95334	0.7
482.01654	8.9
483.01181	6.3
501.01456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52181	0.3
55.01858	0.4
55.05505	1.9
56.05027	1.3
56.10200	0.2
57.03437	0.5
57.07059	0.7
58.06573	1.6
59.07399	0.3
60.08157	16.3
67.05489	1.8
67.47069	0.2
69.07073	1.6
69.90257	0.2
70.06591	0.7
71.07366	6.6
71.08598	0.3
71.26028	0.3
71.26359	0.6
76.02623	0.3
79.05485	1.1
81.07042	1.5
83.08601	1.0
86.09695	48.6
93.07025	1.5
95.08588	1.1
97.06524	1.0
97.10184	0.6
97.67718	0.3
98.98449	4.2
104.10728	100.0
105.11039	0.6
107.08593	0.8
109.10130	0.8
121.10159	1.4
124.99985	27.8
129.05449	0.6
132.10178	0.3
132.13072	0.3
135.11679	0.7
143.01064	0.5
146.98169	0.5
163.01558	0.5
163.03882	3.0
173.03870	0.3
181.02553	0.8
184.07315	99.9
185.07599	0.4
207.06479	2.8
258.11035	1.0
297.24228	0.8
300.28918	1.2
307.66180	0.3
337.01385	0.3
343.97702	0.3
408.14270	0.3
462.29749	8.1
480.30759	22.7
481.31094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0968
Annotation	SCHEMBL1707729
Peak:m/z	Relative Intensity
55.01883	1.2
56.05024	0.9
61.02931	2.1
65.03956	0.9
67.05498	1.1
68.99785	1.6
69.03429	3.3
69.07073	1.0
69.59393	0.8
70.06579	5.2
70.58683	2.6
71.04986	1.1
71.92216	0.8
72.08130	1.5
79.05511	1.1
81.03408	2.8
81.07058	1.2
83.06108	0.9
84.04503	2.5
84.08134	1.8
85.02895	10.5
86.09709	6.2
91.05477	1.9
97.02895	3.6
98.09662	0.9
99.04449	1.0
105.06998	1.1
107.04972	1.9
108.05277	1.7
109.02902	1.9
110.07187	1.6
112.07652	1.2
119.08556	1.0
120.08080	15.2
121.02863	1.1
121.06490	6.4
122.06849	2.3
123.04453	1.2
127.03924	3.1
128.01274	0.8
131.08568	1.0
137.02325	13.1
137.05931	1.2
145.04924	1.3
147.04381	1.1
151.03984	0.9
153.01859	4.3
163.03987	1.0
169.01332	4.0
173.12888	1.6
199.03972	2.0
201.12401	2.0
211.09721	1.1
212.10477	2.7
213.11121	1.3
217.04919	1.8
227.03436	1.4
244.07867	4.6
245.04422	4.5
245.08183	8.0
246.09540	1.2
247.09842	1.9
249.05557	1.4
263.05563	1.3
263.09177	1.0
273.03876	9.3
281.11404	1.6
283.02228	1.3
301.03357	11.1
303.04910	2.4
305.05786	1.0
319.04446	100.0
320.04691	3.3
334.12958	2.2
423.01825	0.8
463.17422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0974
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03920	0.8
55.01847	0.8
57.03426	1.5
61.02906	1.4
67.05506	0.8
68.99786	2.0
69.03424	3.3
70.06577	2.4
70.83378	0.9
70.83690	0.6
72.08144	1.7
73.02905	0.8
81.03405	2.8
84.04510	0.7
84.08134	1.0
85.02895	10.8
86.09719	3.6
87.03137	0.5
87.05585	0.6
91.05477	0.9
97.02882	4.2
99.04457	0.7
109.02891	2.8
110.07135	0.9
111.00784	3.2
111.04414	1.2
120.08086	2.4
121.02888	0.6
125.02202	0.6
127.03897	2.9
129.10229	0.8
131.04869	0.5
133.05333	0.5
135.04439	0.7
136.07552	0.7
137.02318	4.1
137.05997	1.2
139.03912	0.6
145.04979	1.9
153.01811	11.3
163.03932	1.1
164.04211	1.0
165.01842	3.6
166.02586	0.9
177.05510	0.7
179.03369	1.9
183.02965	1.4
186.93204	0.6
187.07329	0.6
189.05376	0.9
191.03264	0.7
195.02881	1.4
199.03844	0.7
203.03430	0.7
207.02774	0.7
207.11348	0.6
217.04936	4.8
221.04420	1.0
235.99034	0.6
244.09554	1.1
245.04361	5.6
245.09709	1.1
255.02950	0.7
263.05658	0.8
273.03833	5.6
287.05624	0.8
290.04266	1.8
300.06262	1.8
301.03357	0.7
311.05389	2.2
315.04984	2.3
319.04456	100.0
320.04727	2.3
327.04721	0.6
328.05725	1.1
329.06451	1.1
361.05386	0.7
381.16571	1.0
389.80167	0.7
448.09885	2.2
481.09488	0.8
481.16232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01860	2.2
55.05497	3.0
57.03418	1.9
61.02911	2.9
65.03933	1.3
67.05487	4.5
69.03410	3.2
69.07055	3.7
69.87595	5.2
70.06583	4.2
72.08155	2.8
79.05492	6.3
81.03407	4.3
81.07063	7.8
83.08617	4.2
84.08119	1.6
85.02889	8.6
86.03243	1.6
86.09694	3.8
91.03912	2.0
91.05479	2.8
93.07047	11.3
95.04954	3.7
95.08622	13.3
96.60181	1.1
96.70114	1.2
97.02882	6.1
97.06503	1.9
99.04415	1.9
105.07022	2.7
107.04925	4.0
107.08595	9.8
109.02871	3.9
109.06504	1.5
109.10143	1.5
110.07111	1.3
114.28512	1.3
117.07008	3.6
119.08562	2.8
120.08022	1.3
121.06515	1.6
121.10161	6.9
125.05963	5.1
127.03893	3.9
133.10133	1.9
135.08038	1.8
135.11678	23.0
137.02310	1.9
139.07469	1.6
145.10120	10.8
153.01819	2.5
155.25182	1.1
163.03873	1.4
163.11171	32.7
167.03336	1.1
179.03352	1.3
181.12178	5.6
198.77330	1.1
209.11537	1.2
220.48222	1.2
227.12773	44.5
244.06844	1.3
258.04745	1.4
259.70703	1.2
272.06430	1.3
283.15384	100.0
284.15689	1.3
303.04584	2.3
304.05276	4.5
317.06464	14.9
318.06873	36.8
432.78775	1.3
445.20328	1.4
480.09515	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	481.1126
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03931	0.4
55.01846	0.3
55.05498	0.7
59.76611	0.2
61.48637	0.2
65.03610	0.4
65.03934	6.9
67.01835	0.3
67.05486	0.9
68.02636	0.4
68.99765	0.5
69.03423	0.4
69.48795	1.3
69.49203	0.4
69.52069	0.2
71.17326	0.2
73.12146	0.2
79.05483	0.6
81.03397	0.8
81.07049	1.2
83.04973	0.6
85.58241	0.3
91.05459	0.9
91.44505	0.3
93.03397	4.0
93.07034	0.8
95.04963	1.3
96.02095	1.1
97.08741	0.2
98.21494	0.5
105.07014	0.7
107.01329	0.2
107.08560	0.6
109.10130	0.6
111.04430	4.5
119.08568	0.5
123.04391	0.6
124.01566	0.8
128.07729	0.2
129.07054	0.3
131.08578	0.3
132.05699	0.3
133.06439	0.6
133.42799	0.3
135.11697	0.2
139.03874	4.5
147.04344	0.3
149.02388	0.4
149.05931	0.6
151.03883	0.6
151.11223	0.3
152.01064	0.2
153.01819	14.2
162.06755	1.1
163.07513	0.4
167.03391	1.1
170.02026	0.3
171.04390	0.3
177.05540	0.3
189.05412	0.2
201.05537	0.5
202.06259	0.7
202.67177	0.2
203.03410	0.6
212.04730	0.3
213.05476	3.3
215.03325	0.4
216.04173	3.3
228.04240	0.6
229.04970	0.8
229.08578	0.6
230.05733	0.7
241.04922	5.0
242.05670	2.3
243.02988	0.5
243.06400	1.6
244.03568	0.4
253.05005	1.0
255.06555	1.3
256.07190	0.7
257.04419	6.6
258.05206	3.3
259.05978	0.9
268.03610	0.4
269.04373	2.1
270.05200	3.8
271.06006	1.0
272.03714	0.6
272.06796	2.7
273.03976	1.1
273.07568	2.5
274.04730	0.4
283.05981	2.5
284.03470	0.6
284.06821	1.0
285.03979	0.8
285.07523	0.8
286.04742	2.8
286.08365	3.0
287.05478	6.6
298.04706	0.4
299.05450	2.5
300.06219	1.9
301.03564	0.6
301.07056	2.6
302.04248	1.2
308.06625	0.3
311.05341	0.6
313.03421	0.7
313.06937	4.7
314.04413	0.7
314.07785	18.6
315.04962	9.6
315.08630	21.8
316.05658	1.7
316.09067	0.6
329.06418	1.7
330.07321	0.8
331.04153	0.3
335.05478	0.7
336.06299	0.7
347.05603	0.5
349.07144	0.3
361.07138	0.3
363.04880	2.9
363.08585	0.4
364.05634	1.9
377.06461	0.5
389.06598	0.3
392.05191	3.9
393.06223	0.3
403.08044	0.6
405.06018	0.6
406.06613	0.3
407.08212	0.3
417.06210	0.4
419.07269	0.4
420.04675	2.1
421.56198	0.2
423.07269	0.5
431.07349	0.5
433.05780	0.3
435.07095	18.9
436.07367	0.6
447.07001	0.4
449.08481	2.0
465.08084	0.6
466.08707	0.6
481.11252	100.0
482.11646	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01862	4.4
55.05496	7.1
57.03430	3.6
57.07061	2.7
61.02925	2.8
67.05492	9.3
69.03418	12.4
69.07066	6.4
70.06570	5.8
71.14015	4.4
73.02901	3.1
79.05467	8.7
81.03400	19.7
81.07050	28.1
85.02901	25.9
87.00822	11.8
88.09911	2.5
91.05456	5.9
93.07040	11.9
95.04945	4.7
95.08566	7.0
97.02901	23.3
97.06471	3.4
98.91320	2.6
99.04436	8.1
105.01842	5.7
105.07038	4.0
107.04941	2.6
107.08579	13.5
109.02892	13.5
109.06493	16.3
109.10131	7.8
121.06494	4.2
123.04392	10.4
123.08079	6.3
123.11692	35.8
127.03885	19.9
133.10098	14.3
135.08034	7.0
136.06181	2.6
137.05960	4.9
137.09540	2.8
141.05495	6.4
145.04950	10.5
151.11171	65.1
153.01918	3.4
153.12680	3.5
159.02896	5.1
161.09619	12.1
161.64667	2.7
169.12224	7.7
179.10645	77.4
191.14281	4.2
197.11717	100.0
215.12782	57.4
231.10132	4.1
232.10301	3.1
237.13264	2.7
257.04379	3.2
259.06012	3.4
276.35370	2.7
287.05707	4.6
289.05557	3.0
303.05002	2.8
327.13461	6.9
369.81146	2.9
462.29041	3.3
480.09570	3.6
480.19305	10.1
480.30093	6.2
481.11206	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	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50491	0.5
55.05504	2.6
55.82831	0.7
56.05041	1.0
56.96555	1.5
57.03428	0.9
57.07079	0.7
58.06609	1.8
60.08157	18.4
61.02913	1.5
67.05502	3.6
69.07058	2.1
70.06578	0.9
70.10039	1.7
71.07356	5.7
73.02892	1.0
79.05502	3.2
81.03410	1.3
81.07043	4.4
83.08606	1.8
85.02895	2.2
86.09697	47.9
88.07632	1.1
91.05471	1.3
93.07041	2.4
95.08572	1.6
97.02855	0.8
97.06516	1.7
97.10152	0.8
98.98452	4.1
102.09171	0.7
104.10732	97.9
105.07043	1.5
107.08575	2.2
109.10138	1.3
121.10131	1.9
124.99991	26.4
135.11678	1.1
148.82874	0.5
149.13232	0.9
151.99403	0.7
163.03940	1.9
184.07318	100.0
193.12149	0.8
194.80141	0.7
207.06543	0.9
213.34996	0.6
243.08910	0.8
248.09904	0.8
257.06866	0.6
258.10947	1.8
261.10095	0.7
283.08374	0.8
297.24054	1.1
301.09540	1.8
319.10522	0.7
332.11136	0.7
335.25650	0.9
341.11737	0.8
349.15790	0.7
462.29739	7.7
480.30750	26.3
481.30881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01859	3.3
57.03421	3.0
61.02921	9.0
63.57351	1.3
69.03427	18.9
69.80856	9.0
70.06582	3.2
71.04977	2.7
73.02905	3.5
77.75047	1.4
81.03425	7.5
82.15676	1.5
84.08158	2.0
85.02897	100.0
85.68930	1.2
87.04460	3.0
91.03963	6.3
91.05475	2.4
93.07032	4.2
97.02887	26.7
99.04443	4.2
103.03943	3.1
109.02883	9.4
120.08078	1.9
121.06492	61.6
121.15993	1.3
122.29724	1.3
123.04413	1.6
127.03898	26.3
129.10262	1.5
131.08577	1.7
136.07527	2.1
145.04947	43.4
145.06284	2.4
145.06499	2.1
157.06485	1.3
159.08040	5.1
163.03917	1.9
163.06029	15.4
169.06473	1.6
175.07513	1.4
179.06967	1.6
185.03294	1.3
185.05983	2.2
187.07516	17.7
201.09093	1.7
205.08582	16.3
217.08578	2.7
219.84491	1.3
229.08620	5.9
235.09755	1.7
247.09700	8.1
265.10651	8.4
283.66217	1.3
480.20367	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	479.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05508	0.6
58.39244	0.4
61.02914	0.4
66.13395	0.4
67.05495	1.7
69.03403	0.6
69.07047	0.9
70.06593	0.9
70.67946	0.4
72.08150	0.5
79.05487	1.3
81.03407	1.5
81.07043	1.4
83.08603	0.6
84.08128	0.6
85.02879	1.1
86.09692	0.9
91.05477	1.5
93.07034	1.3
95.04978	0.6
95.08580	1.2
97.02883	0.8
99.04430	0.5
105.07011	1.5
107.04928	0.5
107.08575	1.0
109.02888	0.4
109.06503	1.2
109.10117	1.1
110.07146	0.5
111.04418	0.5
114.97913	0.4
119.08571	0.9
120.08096	0.5
121.06491	0.5
121.10155	0.8
123.08060	1.7
123.11707	0.4
126.50927	0.5
127.03899	1.0
129.07033	0.5
131.08543	1.3
133.10141	1.8
135.08064	1.0
145.10118	0.8
147.04430	0.5
147.11682	0.5
153.01817	0.8
161.06081	0.6
173.05888	0.4
173.13354	0.7
177.05548	0.7
189.09001	0.5
203.05287	1.0
213.12532	0.9
229.60873	0.5
231.13551	5.2
245.06303	2.5
259.13083	1.6
273.13293	0.7
285.07565	0.5
289.05246	5.1
303.04904	1.1
317.06491	1.5
373.07141	0.4
375.17862	1.0
387.24338	0.5
393.18759	10.0
435.19858	33.0
436.20129	1.3
479.18857	100.0
480.19391	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	18.2
55.01867	16.7
55.05269	4.0
55.05511	46.8
56.47797	3.4
56.80576	3.1
57.03164	2.8
57.03434	51.0
61.02895	3.3
64.55094	3.5
65.03930	6.3
67.05500	100.0
68.05830	4.3
69.03424	85.3
69.07066	27.3
70.59767	3.0
70.78137	8.1
71.01332	8.3
71.04991	15.5
71.78255	3.3
73.02900	16.8
75.04459	3.1
77.03931	3.9
79.05486	81.2
81.03411	60.6
81.07050	89.3
83.04986	22.1
83.08604	18.1
85.02902	38.5
85.06564	5.3
87.04465	7.0
90.18178	3.3
91.05474	66.4
93.07039	71.3
95.04977	22.2
95.08601	71.3
97.02892	31.0
97.06517	10.9
97.10151	7.3
99.00757	3.1
99.04446	20.1
101.02342	6.0
103.03922	10.5
105.07021	62.4
107.04964	16.2
107.08578	39.1
109.02860	39.0
109.06491	8.7
109.10149	31.1
111.04427	12.6
111.08093	5.7
115.03899	5.8
115.05381	4.9
117.06999	31.0
119.08581	59.1
121.06480	9.6
121.10138	33.9
123.04451	7.9
123.08047	8.3
123.11690	9.7
125.05900	4.2
127.03887	30.3
128.06229	5.8
129.05476	10.9
129.06956	19.9
131.08557	51.9
133.06461	11.5
133.10123	35.1
135.08034	11.8
135.11670	21.3
137.05949	5.4
137.09583	6.2
141.06990	9.9
143.08524	21.4
145.04958	12.1
145.06461	5.6
145.10107	38.9
147.08049	8.6
147.11676	25.1
149.05957	6.1
149.09641	7.7
149.13260	13.7
155.08487	11.0
157.10152	17.4
159.07991	9.8
159.11696	34.6
161.06000	4.4
161.09576	6.9
161.13257	16.4
163.14804	4.9
167.08498	5.4
169.10153	9.8
169.74345	3.2
171.08133	3.6
171.11638	16.0
173.09628	4.3
173.13274	22.9
175.11215	8.9
175.14890	5.5
177.12740	4.0
181.10135	7.8
183.06436	9.2
183.07982	5.1
183.11656	8.7
185.09619	9.0
185.13290	14.1
187.11218	5.4
187.14787	9.1
197.13197	4.9
199.11063	3.1
199.14740	10.2
201.07512	9.0
201.16443	4.8
203.10631	10.2
211.14867	4.7
213.12666	4.8
213.16283	5.0
231.10168	22.8
259.20639	5.7
261.11234	5.3
261.22083	14.3
271.20496	8.1
273.22180	5.1
285.22058	5.4
301.21506	9.0
303.23166	7.1
306.27762	5.9
307.28278	21.8
309.22049	3.4
315.23218	5.1
317.24585	5.3
327.23010	9.3
335.25668	6.1
338.27661	14.6
341.24728	8.7
344.61523	3.4
345.24207	7.2
351.22949	8.6
369.24121	24.9
387.25107	18.7
425.26791	5.9
431.28302	4.7
443.27771	24.8
461.28928	46.3
479.29959	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.6
55.01861	14.3
55.05503	35.2
57.03430	46.2
57.07055	3.5
59.05013	2.2
61.02941	3.1
65.03928	6.4
67.05495	99.4
69.03420	51.4
69.07059	30.9
71.01344	5.3
71.04978	13.3
73.02908	8.1
74.99306	2.3
75.04510	2.5
76.59163	2.2
79.05482	69.9
81.03410	53.6
81.07043	100.0
83.04959	18.0
83.08617	13.1
85.02891	37.0
85.03379	3.1
85.06541	6.0
87.04464	6.4
91.05470	74.6
93.07030	77.4
95.04950	19.0
95.08592	67.4
95.09179	4.3
97.02877	24.9
97.06519	8.6
97.10146	9.7
99.04431	16.3
99.08058	2.2
101.02384	3.2
103.03935	13.2
103.05466	3.5
105.06307	3.8
105.07014	68.9
105.07695	4.5
107.04934	11.3
107.08582	42.6
109.02869	21.5
109.06503	12.9
109.10137	28.4
110.77546	2.5
111.04436	13.4
111.08075	7.9
115.03905	6.1
115.05438	7.1
116.06202	2.1
117.05552	3.0
117.06996	34.6
117.07758	3.2
119.04913	5.1
119.08578	48.0
121.06498	10.5
121.10133	35.4
123.04424	5.2
123.08064	9.0
123.11712	9.2
125.05936	3.3
125.09608	4.4
127.03898	29.2
128.06195	5.1
129.05544	11.3
129.06987	25.6
131.04846	2.2
131.08545	47.0
133.06459	11.1
133.10107	34.0
135.08067	8.9
135.11676	17.9
137.05971	5.4
137.09608	7.1
137.13286	2.5
139.11191	3.4
141.07013	5.0
142.07793	3.8
143.06973	2.1
143.08519	18.8
144.09225	3.2
145.04950	9.0
145.06473	9.3
145.10109	38.0
145.11200	4.1
147.08044	9.1
147.11656	30.5
149.05943	3.9
149.09625	5.1
149.13203	15.6
151.07582	2.6
155.08501	14.2
157.06458	5.4
157.10123	17.9
159.08012	6.7
159.11661	28.8
161.05966	3.7
161.09645	7.0
161.13234	16.1
163.07504	2.6
163.11154	7.1
163.14812	4.5
165.09038	3.1
166.07835	3.2
167.08571	4.9
169.10103	11.4
171.08044	4.2
171.11650	17.6
173.09596	7.4
173.13252	24.1
175.11188	8.1
175.14746	8.0
177.12782	3.8
181.10103	4.4
183.06523	9.1
183.11664	10.1
184.07344	5.2
185.09663	5.4
185.13184	11.8
187.11137	4.7
187.14804	11.0
189.09059	2.5
189.12712	4.8
189.16429	2.5
195.11685	4.7
197.09628	3.9
197.13206	10.5
199.11249	4.5
199.14784	8.2
201.07574	6.9
201.12810	4.5
201.16374	2.8
203.14293	4.5
207.11833	3.3
207.13799	2.8
209.13278	6.2
211.11137	2.8
211.14803	6.2
213.12683	6.2
213.16286	2.8
215.14394	2.8
217.15875	4.3
221.13174	3.1
227.14447	2.6
233.15182	2.5
237.08379	2.3
239.14299	2.6
241.15872	2.8
241.19531	3.8
243.13657	2.9
243.21175	3.7
259.20615	6.6
261.22083	13.2
271.17075	2.5
271.20618	5.3
273.22043	8.5
277.21674	4.3
283.20337	3.9
285.22079	6.3
287.23645	3.2
289.21613	5.4
297.21893	2.9
301.21457	3.6
303.23093	7.0
315.23196	5.0
317.24655	4.2
319.22772	2.9
323.23691	2.5
325.21591	2.8
327.23080	11.3
335.25775	4.0
341.24701	8.1
345.24103	5.8
351.23230	10.2
357.24356	3.2
359.25824	4.6
363.25293	3.9
369.24152	29.4
375.25211	3.8
387.25342	17.5
389.27136	3.3
401.26703	4.3
403.85440	2.5
405.26657	4.7
415.28427	3.2
419.27890	4.2
425.26831	5.2
431.27951	3.1
443.27753	25.8
449.29062	2.9
461.28900	51.4
479.30035	68.0
480.30246	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01867	0.7
57.03432	0.9
59.04971	0.1
61.02649	0.2
61.02918	1.7
65.03919	0.4
68.99769	0.2
69.03420	3.5
69.07022	0.1
69.69041	0.4
69.69453	0.4
70.06559	0.2
71.04973	0.4
73.02908	0.6
81.03407	1.7
83.01344	0.2
84.04485	0.2
85.02896	8.7
86.09681	0.2
87.04451	0.5
91.03931	0.5
92.02625	0.9
93.03391	1.2
97.02876	3.2
99.04431	0.6
107.04932	0.1
109.02863	1.1
111.00784	0.2
121.02847	1.0
121.78452	0.1
122.03624	0.2
123.04395	0.4
126.03112	0.3
127.03896	2.1
133.02840	0.4
137.02321	0.5
137.05913	0.1
139.03883	0.8
145.04938	1.7
145.06082	0.2
151.03896	0.8
153.01808	8.5
163.03876	0.2
165.01828	0.5
165.05417	0.7
167.03511	0.2
173.05939	0.2
177.05458	0.5
177.08115	0.1
179.03397	0.2
183.02861	0.1
187.03876	0.2
200.04692	0.2
201.05486	0.7
203.03366	0.5
204.04066	0.1
217.04929	1.1
218.05739	0.7
219.02837	0.3
219.06387	0.1
228.04178	1.5
229.04944	3.1
231.02864	0.5
232.03647	0.1
239.03230	0.2
243.06490	0.3
245.04399	1.4
246.05191	1.5
256.03592	0.3
257.04395	2.4
258.04984	0.2
260.03156	0.5
261.07520	0.4
271.06042	0.3
273.03925	1.9
274.04691	4.2
284.03125	0.4
285.03900	4.7
286.04395	0.2
288.06241	0.2
301.03320	0.3
302.04169	13.5
303.04855	0.5
316.05679	0.2
317.06503	100.0
318.06790	2.0
329.06543	0.8
341.06677	0.2
359.07672	0.8
383.07504	0.2
425.08408	0.2
443.09692	0.2
461.11121	0.2
479.11603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44597	0.1
53.03940	0.5
55.01866	0.5
56.13358	0.1
57.03428	0.8
59.04988	0.1
61.02921	1.7
65.03938	0.2
68.90945	0.1
68.99798	0.2
69.03422	3.9
70.06587	0.3
71.04989	0.4
71.51791	0.1
72.08148	0.1
73.02914	0.5
81.03405	1.7
81.07075	0.1
83.01323	0.1
84.08144	0.1
85.02896	10.3
85.06522	0.1
86.09701	0.3
87.04488	0.4
91.03938	0.7
91.05513	0.1
92.02614	1.2
93.03394	1.0
93.07068	0.1
94.04148	0.1
95.04920	0.1
97.02879	3.7
99.04435	0.5
107.04904	0.2
109.02866	1.0
109.10145	0.1
111.00772	0.2
115.25175	0.1
120.08104	0.2
121.02859	1.1
122.03627	0.1
123.04414	0.2
126.03093	0.4
127.03894	1.9
133.02818	0.3
135.04378	0.2
137.02339	0.4
137.05920	0.2
139.03880	0.9
145.04929	1.5
149.02345	0.1
150.03006	0.1
151.03886	1.0
151.04987	0.1
153.01811	8.9
159.04514	0.1
163.03905	0.3
165.01831	0.9
165.05446	0.2
166.02568	0.1
167.03400	0.2
171.11653	0.1
173.05946	0.1
177.01891	0.1
177.05450	0.3
183.02896	0.2
183.04395	0.2
189.05449	0.1
190.06184	0.1
200.04657	0.2
201.05461	0.7
203.03305	0.5
205.05042	0.1
211.03917	0.1
211.13258	0.1
217.04941	1.1
218.05736	0.7
219.02847	0.2
228.04138	1.4
229.04939	4.1
230.05537	0.2
231.02817	0.6
232.03777	0.1
239.03444	0.1
243.06425	0.3
245.04427	1.4
246.05191	1.7
247.02394	0.1
256.03555	0.3
257.04425	2.7
258.04999	0.1
259.06079	0.1
260.03149	0.3
261.07544	0.3
271.05991	0.3
273.03894	2.1
274.04681	4.0
275.05008	0.2
284.03137	0.6
285.03903	5.1
286.04568	0.2
287.01929	0.1
287.05371	0.1
288.06207	0.2
299.05453	0.2
301.03394	0.2
302.04169	14.4
303.04749	0.8
314.04376	0.1
315.05017	0.1
317.06509	100.0
318.06876	2.2
329.06595	0.5
341.06583	0.2
359.07541	0.5
383.07617	0.2
479.11826	0.1
479.18640	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1179
Annotation	6-Methoxykaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.27119	0.2
53.03929	0.5
55.01847	0.4
56.46950	0.2
56.96545	0.3
57.03405	0.9
58.55105	0.2
61.02927	1.3
65.03900	0.2
68.99764	0.3
69.03086	0.3
69.03423	4.3
69.30717	1.4
69.31141	0.8
71.04978	0.3
73.02872	0.4
75.16011	0.3
81.03414	2.0
83.01318	1.0
85.02894	8.7
87.04444	0.8
91.03918	0.6
93.03379	0.5
95.04933	0.5
97.02882	3.6
99.04421	0.5
109.02868	1.1
121.02848	0.9
122.02713	0.2
123.04420	0.9
125.02357	0.6
127.03870	1.4
127.16404	0.2
133.02835	0.3
137.02328	3.3
141.06975	0.3
145.04930	1.6
149.02385	0.4
151.03867	0.8
153.01817	0.4
161.06017	0.3
163.03922	0.6
163.82317	0.2
167.03392	5.0
169.06401	0.3
176.87041	0.2
179.03374	3.2
180.03925	0.3
185.46332	0.2
187.03862	0.4
187.07498	0.5
193.04990	0.3
197.04321	0.4
197.05978	0.6
200.04564	0.4
215.06978	1.7
225.05536	0.4
242.05717	0.3
243.06471	4.2
247.28497	0.2
257.04416	0.2
261.07620	0.7
271.05981	2.2
288.06198	1.2
288.55658	0.3
299.05502	1.1
302.04245	0.4
317.06506	100.0
318.06836	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01863	12.9
55.05510	9.3
57.03407	4.1
63.84779	1.4
65.03922	4.1
67.05500	15.6
68.05844	1.6
68.99773	4.8
69.03416	3.0
69.07045	3.5
69.65696	8.5
71.04986	2.6
73.02907	1.3
77.03902	2.0
79.05492	15.1
81.03407	10.8
81.06635	1.9
81.07052	15.1
82.07349	1.7
82.91218	1.2
83.01320	5.4
83.04973	6.1
83.08591	5.2
85.02893	16.7
85.06505	2.0
91.05473	11.3
93.03384	15.8
93.07041	8.8
94.18686	1.3
95.01349	1.6
95.04947	10.8
95.08583	5.8
97.02868	9.6
97.06507	1.8
97.10151	5.3
98.10458	1.7
103.05460	4.1
105.03371	3.6
105.07037	6.9
106.07357	1.6
107.04943	34.5
107.08563	5.5
108.05270	1.8
108.08896	1.5
109.02866	16.8
109.06507	9.5
109.10123	2.2
111.04427	16.5
117.07001	4.0
119.04936	9.5
119.08563	3.2
121.02879	9.0
121.06491	9.4
121.10101	1.9
122.06926	1.2
123.04415	100.0
123.08013	2.8
125.09602	4.5
127.03896	2.3
129.06987	2.1
131.04897	6.7
131.08562	4.0
132.08859	1.5
133.02817	3.9
133.06467	4.1
133.10062	2.5
135.03418	2.1
135.04402	31.9
135.08026	3.5
135.11671	2.1
137.02328	8.3
137.05965	3.8
139.03879	21.4
141.01779	3.1
143.04881	2.1
143.08531	2.5
145.06441	3.1
145.10097	2.2
147.04376	9.5
147.08029	1.8
149.02365	2.7
149.05971	7.5
151.03905	17.8
151.07509	2.2
153.01793	7.6
153.05464	3.5
158.27261	1.2
159.04433	6.2
161.02315	4.4
161.05954	8.9
163.03917	7.1
165.01840	15.6
165.05473	1.7
165.07094	2.0
167.03404	2.5
169.10107	1.6
173.06015	2.8
175.03891	8.8
177.01784	10.5
177.05426	17.8
179.03383	6.5
181.04951	15.9
183.02869	11.2
183.04314	2.2
185.05940	2.0
187.13512	1.6
189.01704	2.1
189.05388	4.4
189.11185	2.2
191.03363	7.5
193.04906	3.1
193.12355	1.7
195.02863	42.5
195.04636	2.3
201.05444	5.1
203.03375	17.5
205.04929	19.4
205.93901	1.3
207.02870	35.0
209.04446	2.4
210.13371	1.5
211.03781	3.0
211.07678	1.8
213.05545	2.5
215.03387	3.8
217.04913	6.6
219.02864	5.1
219.13745	4.2
221.04372	10.7
223.02354	4.0
225.03903	31.9
227.03372	2.9
227.06865	1.9
229.04959	6.9
231.02858	28.9
233.04341	2.7
237.03845	8.1
241.04910	3.5
243.02859	5.3
243.15866	2.9
245.04420	6.6
247.02328	1.4
247.05960	12.6
249.03891	23.7
255.02811	3.0
255.06459	2.7
257.04413	6.3
258.05328	1.6
261.03915	15.1
265.07077	3.0
266.05618	1.6
267.06580	2.7
269.04446	1.5
271.06039	1.9
273.03900	17.0
281.04379	1.5
283.05890	11.3
285.04074	1.6
287.05542	3.2
291.04889	21.1
293.04474	1.9
293.17334	3.7
295.05975	4.1
299.05453	4.3
303.04965	5.3
309.06384	3.2
311.05472	67.7
312.05878	2.7
313.07123	1.7
317.06519	12.3
323.05429	5.6
329.06461	34.0
337.06909	4.0
337.53082	1.4
341.06476	12.6
351.08694	1.5
351.22382	1.9
359.07538	20.9
361.06900	2.9
363.08673	1.4
365.06570	10.7
367.22421	1.6
368.22961	2.7
369.23599	4.4
377.06714	2.7
379.08163	2.5
383.07574	35.2
386.24011	5.3
386.84381	1.5
387.24533	5.6
389.06448	4.5
390.07309	4.1
391.08102	2.5
395.07642	12.7
405.25467	2.1
407.07434	5.6
413.08731	9.6
418.06827	10.6
419.07492	13.1
420.08325	10.0
425.08710	13.5
433.08936	5.1
435.10730	42.7
443.09738	10.3
446.06097	3.4
460.27859	2.0
461.08511	9.5
461.28558	7.0
478.28754	2.0
479.09375	22.9
479.29758	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	479.1177
Annotation	Keyakinin B
Peak:m/z	Relative Intensity
67.34900	0.9
69.36961	1.2
69.37370	7.5
79.01848	1.3
81.03397	1.1
85.02902	1.9
86.09673	1.0
90.25056	1.0
105.05708	1.0
117.48243	1.0
123.00767	2.8
135.04411	2.8
137.02347	1.9
141.01845	1.6
142.70392	0.9
151.03880	1.4
153.01776	5.0
157.05019	1.2
165.01814	3.0
165.05510	1.2
167.03383	12.8
169.01350	3.0
177.01778	1.6
179.03421	0.9
183.02849	1.6
187.03827	1.2
191.03452	1.6
192.04231	1.4
205.05025	1.9
206.05780	2.0
211.04056	1.0
213.05486	1.3
217.04901	6.2
218.02130	1.2
219.02997	1.2
229.04959	2.3
233.04532	1.7
241.04950	1.9
243.02875	2.5
257.04440	2.5
257.08038	1.1
259.05896	4.8
261.03976	3.6
270.05173	3.0
273.07538	1.8
274.04968	1.3
281.04578	1.2
285.04068	2.7
286.04706	4.3
287.05579	3.3
288.06354	3.7
300.06326	3.7
301.07098	4.0
302.07700	5.3
303.04956	100.0
304.05392	1.6
311.05527	2.0
312.06161	1.5
314.04214	17.1
315.04993	4.6
316.05881	7.4
317.06744	2.3
326.04181	4.6
326.07886	3.3
327.04886	6.3
328.05795	8.3
329.06494	61.7
330.03308	1.5
330.07251	25.4
331.07809	1.1
340.05853	4.7
341.06586	12.5
343.08072	12.9
344.05276	24.5
345.05627	1.0
353.06613	1.3
354.07349	8.4
355.08316	2.4
356.05179	1.6
357.06055	2.4
358.06686	1.8
359.07584	93.8
360.07898	2.4
368.05255	3.0
369.05798	1.7
369.09726	14.3
371.07458	5.1
383.07605	18.4
389.08551	7.8
397.09143	5.4
401.08636	2.7
413.08658	17.0
425.08521	9.8
443.09674	34.7
444.10220	1.3
461.10754	59.6
462.11139	1.5
479.11868	82.2
480.12473	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0985
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
50.34167	0.3
50.91182	0.3
53.03932	0.4
53.15213	0.4
53.25558	0.3
55.01865	0.7
55.05506	2.3
55.89725	0.3
57.03420	1.1
65.03926	0.5
67.01849	0.4
67.05496	4.3
68.05841	0.5
68.99780	0.5
69.03415	0.9
69.07051	1.5
71.52687	0.4
79.05486	3.8
80.05830	0.5
81.03403	1.5
81.07047	5.3
82.07383	0.7
83.04969	0.8
83.08603	1.4
85.02882	1.0
85.06536	0.5
91.05477	3.2
92.05814	0.8
93.07042	2.2
94.04203	0.6
94.14571	0.3
95.04964	1.7
95.08588	1.6
97.02887	0.5
97.06515	0.7
97.10165	1.1
98.10497	0.5
105.07034	2.5
106.07364	0.3
107.04947	2.2
107.08596	1.6
107.10868	0.4
108.08902	0.7
109.06502	2.7
109.10142	0.8
111.04453	0.7
111.08042	0.6
117.07019	0.9
119.04934	0.6
119.08566	1.3
120.08906	0.4
121.02859	0.8
121.06500	1.3
121.10131	1.2
122.18121	0.3
123.04402	1.0
123.08046	0.4
123.11705	0.6
125.06005	0.4
125.09622	0.7
127.03848	0.3
129.07004	0.7
131.08543	1.1
133.02872	0.6
133.06496	0.4
133.10123	1.4
134.03601	0.7
135.04391	1.2
135.08052	1.0
135.11682	0.3
136.05188	3.6
137.02332	0.6
137.05968	2.1
139.03859	0.3
143.08543	0.8
145.02820	0.8
145.06456	0.6
145.10098	0.8
147.04424	0.5
147.08064	0.4
147.11658	1.0
149.02373	0.6
149.13264	0.4
150.03104	0.8
150.06754	0.6
151.03969	0.4
153.01802	7.1
153.02994	0.4
157.10143	0.7
159.11751	0.4
162.03099	0.9
163.03864	0.5
164.04614	0.5
171.07925	0.3
171.11696	0.5
173.09758	0.4
173.13284	0.4
175.11113	0.5
177.05479	0.8
179.03448	0.3
180.79999	0.3
181.05031	0.3
189.11240	0.6
191.14270	0.5
193.12181	0.4
197.06030	0.5
203.03378	3.8
213.05406	1.4
217.15866	0.4
219.13763	1.2
222.56879	0.3
225.05539	0.5
227.12686	0.6
229.04947	3.3
241.04918	2.6
242.05704	13.8
243.06529	0.4
243.15941	0.7
253.04956	0.7
257.04422	32.1
258.05188	7.8
267.16025	0.4
269.04379	2.5
270.05206	4.2
271.05984	6.2
283.05939	0.4
285.03891	4.2
286.04694	14.1
287.02225	0.8
287.05457	14.4
288.05759	0.4
293.17542	0.6
297.03922	13.9
303.05066	0.4
305.08093	1.0
308.06882	1.0
309.07626	0.5
310.04565	0.5
311.05597	0.7
315.04971	1.3
317.06488	3.5
333.07513	0.9
334.08298	1.3
344.06744	0.6
345.07413	2.3
351.22702	0.3
361.06979	3.3
362.07794	0.7
363.08429	0.5
368.22885	0.5
369.23752	1.0
373.06961	6.4
374.07657	1.0
375.08673	1.2
385.23572	0.4
386.24078	0.9
387.24579	1.3
389.06485	5.0
390.07196	1.5
391.08087	3.0
401.06458	0.8
403.08044	1.4
417.05798	1.1
418.06836	4.2
419.07727	2.1
420.08514	0.7
433.09201	0.9
435.10754	10.4
443.28027	0.4
446.06326	7.9
447.06964	0.6
451.10141	0.5
460.27805	0.7
461.08633	9.4
461.28659	1.9
478.28815	1.0
479.09686	100.0
480.10040	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0818
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01850	0.1
65.03917	0.2
67.01850	0.1
67.05459	0.1
68.99773	0.7
69.03411	0.1
70.06554	0.1
70.71172	0.1
70.71514	0.2
71.01325	0.2
72.08131	0.1
73.02876	0.1
77.37826	0.1
81.03401	0.4
85.02887	0.2
86.09683	0.1
90.47906	0.1
93.03410	0.4
95.04927	0.2
95.84731	0.1
97.02889	0.1
109.02872	0.6
111.00050	0.1
111.00784	1.3
111.04410	0.1
117.06976	0.2
121.02855	1.3
123.04391	0.3
127.03870	0.3
131.04874	0.2
133.02844	0.1
133.06424	0.1
135.04373	0.2
137.02322	4.5
137.03307	0.2
138.02689	0.1
140.83719	0.1
145.02863	0.1
145.06444	0.3
149.02362	0.6
153.01810	5.0
155.04829	0.3
157.06535	0.1
159.04376	0.2
161.05928	0.3
163.03920	0.8
165.01811	2.7
166.02582	0.3
171.02904	0.1
173.05978	0.5
177.05435	0.2
179.03366	0.1
183.02849	0.9
183.04350	0.3
187.03867	0.6
191.03369	0.2
191.06966	0.1
195.02785	0.4
201.05447	2.5
205.04956	0.2
207.02907	0.1
211.03967	0.1
213.05420	0.2
215.03320	0.1
217.04880	0.1
219.02852	0.2
219.06590	0.3
228.04083	0.3
229.04936	5.6
230.05313	0.1
233.04465	0.1
239.03462	0.2
245.04471	0.1
246.05296	0.1
247.05995	0.8
257.04422	3.8
264.98099	0.1
274.04688	0.8
275.05377	0.2
285.03912	1.5
286.04623	0.1
296.16962	0.1
302.04214	0.2
303.04944	100.0
304.05289	2.7
317.06509	0.2
479.08139	3.4
480.08136	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0973
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
50.08789	0.3
53.03928	0.5
55.01851	0.6
55.05514	2.5
56.15277	0.4
57.03414	0.7
57.07047	0.3
67.05499	4.8
68.99758	0.5
69.03411	0.7
69.07058	2.1
69.70340	2.1
71.04955	0.8
79.05488	4.7
80.05814	0.3
81.03423	2.1
81.07050	6.2
82.07355	0.5
83.04935	1.1
83.08601	1.6
85.02891	0.6
85.06509	0.4
91.04971	0.4
91.05466	4.3
92.05766	0.5
93.07030	3.8
95.04965	2.8
95.08593	2.5
97.02808	0.3
97.06475	1.0
97.10135	1.3
104.64439	0.3
105.07028	3.4
106.07344	0.4
107.04961	1.8
107.08582	2.2
109.06512	2.1
109.10118	1.2
111.08072	0.4
117.03365	0.5
117.06967	1.2
117.32431	0.3
119.08572	1.9
121.06481	0.9
121.09360	0.4
121.10112	2.1
123.04378	1.1
123.08022	0.4
123.11635	0.9
125.09579	1.0
129.06944	0.9
131.08560	1.9
133.02797	0.8
133.06438	0.5
133.10098	1.5
135.04393	1.0
135.08022	1.0
135.11638	1.0
136.05177	4.0
137.02324	0.5
137.05992	2.0
141.07028	0.4
143.08537	0.5
145.06483	0.4
145.10085	1.0
147.11632	1.1
149.02280	0.4
149.05997	0.4
149.09547	1.0
150.03064	0.6
150.06772	0.6
153.01825	5.8
154.02565	0.4
155.08482	0.6
157.10107	0.7
159.11668	0.4
162.03096	0.3
163.11069	0.5
165.09113	0.5
165.12770	0.4
167.07008	0.6
171.11658	0.6
173.13197	0.4
175.11104	0.7
177.05368	0.5
177.09047	0.4
185.79463	0.4
191.14246	0.7
193.12172	0.8
197.05853	0.4
203.03365	6.6
211.13234	0.3
213.05431	1.1
217.15794	0.5
219.13809	0.9
227.12691	0.9
229.04910	5.5
241.05013	2.1
242.05724	12.1
243.15964	0.8
253.04958	0.9
257.04422	55.5
258.05148	6.6
265.05099	0.4
267.15869	0.5
269.04416	2.3
270.05185	3.4
271.05966	3.8
285.03940	5.3
286.04684	12.9
287.05472	14.7
297.03906	16.2
303.05038	0.4
305.07996	0.6
308.06787	1.0
315.04898	0.9
334.08420	0.8
345.07544	1.7
351.22913	0.5
361.07031	2.3
362.07971	0.7
363.09033	0.4
369.23996	1.6
373.07047	5.2
374.07578	0.5
375.08707	0.8
386.23877	0.6
387.24896	1.6
389.06479	4.5
390.07239	0.6
391.07953	2.4
392.08759	0.4
401.06735	0.4
403.08157	0.9
405.25958	0.6
417.05847	0.8
418.06848	2.6
419.07581	1.5
420.08258	0.8
433.09119	0.8
435.10764	14.1
436.11166	0.6
446.06308	7.0
459.99390	0.4
460.27612	0.4
461.08640	9.2
461.28656	2.4
462.09055	0.5
478.28671	0.6
479.09695	100.0
480.09973	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
54.53142	3.5
55.01874	18.6
55.05271	5.4
55.05509	76.2
57.03425	11.7
65.03944	3.9
67.05499	76.5
69.03427	13.0
69.07056	13.5
70.65312	8.3
71.04979	7.4
79.05486	73.0
80.34525	3.0
81.03411	45.6
81.07054	67.8
83.04972	11.3
83.08617	40.9
85.06551	4.4
85.17257	3.3
91.05467	49.8
93.07037	47.5
95.04962	33.3
95.08596	34.7
97.02898	4.0
97.06498	9.0
97.10162	58.6
99.08051	3.4
105.07024	45.7
107.04945	51.4
107.08585	38.4
109.06503	13.5
109.10161	21.3
111.08104	5.9
117.06995	27.3
119.08556	21.8
121.06499	45.5
121.10139	14.0
123.08075	13.9
124.99485	3.6
125.09620	47.3
128.06181	3.7
129.06973	24.5
131.04912	6.9
131.08546	23.2
133.06493	10.0
133.10138	12.6
135.08046	15.0
135.11664	5.5
141.06998	7.5
143.08569	13.0
145.06451	26.8
145.10133	19.4
147.04362	3.4
147.08057	17.9
147.11673	11.3
149.05916	4.2
149.09660	6.3
153.09108	12.1
153.12735	3.6
155.08557	7.5
157.06464	8.5
157.10115	11.4
159.08029	6.0
159.11642	7.2
161.09584	5.9
163.11166	9.1
169.10078	4.5
171.08052	5.9
171.11633	6.0
173.09668	7.3
173.13258	3.9
175.11154	8.0
177.12764	4.8
181.10019	4.6
183.11620	5.6
185.09552	4.8
185.13295	5.6
187.11140	6.5
187.14745	4.3
189.11183	26.7
189.12744	8.0
193.12216	29.2
195.08058	3.9
197.13278	6.0
199.11237	8.4
205.12370	4.7
211.13196	5.7
213.12743	5.2
215.14323	12.6
223.13170	5.4
225.18594	3.7
227.12732	20.1
231.13605	5.0
233.15353	23.7
237.72623	3.7
245.15417	8.2
249.14873	7.5
255.13802	7.0
267.15958	15.1
273.14899	22.4
275.16113	4.7
287.16440	5.3
323.20084	4.4
339.23257	11.9
341.21158	5.8
349.21652	14.5
357.24237	13.3
367.22647	58.4
385.23682	93.7
386.23969	3.8
403.24762	34.7
431.28210	4.1
433.25677	10.2
441.26358	12.3
459.27405	100.0
460.27444	3.9
477.28491	78.3
478.28787	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	478.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
56.96567	2.1
69.03393	2.8
71.34804	2.1
84.08134	2.0
85.02881	4.9
97.02882	2.1
98.97566	2.8
116.98550	1.8
122.02677	1.6
127.03949	1.6
138.05435	2.3
148.03909	35.7
158.81345	1.5
163.03879	2.1
166.04985	90.7
167.05373	2.0
172.95288	3.4
177.05460	3.4
179.42093	1.3
184.06033	100.0
185.06413	1.9
214.96069	1.4
225.24977	1.3
237.02750	2.5
346.11285	26.4
347.11664	1.7
446.90594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.0
57.03430	2.6
57.07076	2.4
62.05786	3.1
62.06081	30.6
67.05497	29.6
67.31342	1.6
69.07055	14.3
69.46624	1.6
69.83787	9.3
71.80436	1.6
73.45156	1.9
79.05489	7.0
81.07041	27.0
83.08608	4.7
91.05465	4.4
93.07018	12.8
95.08585	20.4
97.10157	4.9
97.47195	1.6
98.06033	4.1
98.98458	12.3
100.88265	1.6
103.55166	1.8
105.07018	4.8
107.08607	5.6
109.10148	7.4
121.10136	5.5
123.11624	1.7
124.01607	3.0
133.10127	2.5
135.11696	2.0
137.13272	2.8
148.25681	1.7
155.00977	8.8
173.02077	2.3
216.06183	3.3
219.63786	1.6
262.19928	2.0
263.11783	1.7
263.23682	6.2
296.78751	2.0
306.27890	39.8
337.27322	100.0
338.27621	3.6
345.19800	2.0
460.43500	1.7
478.29068	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52932	1.5
54.46742	1.4
55.05503	9.9
57.03426	5.6
62.06082	36.4
65.03944	1.9
67.05499	31.2
69.07061	9.6
69.83934	2.3
69.84348	5.6
71.05018	1.6
71.80725	1.3
79.05492	18.5
81.07045	23.6
83.08598	3.8
91.05472	10.9
93.07034	20.5
95.04979	3.0
95.08601	18.1
98.06071	3.3
98.98467	10.2
105.07021	8.1
107.08583	11.7
109.10186	4.7
111.08061	1.7
117.07024	2.4
119.08585	6.1
121.10138	8.2
123.11683	2.3
124.01524	3.0
131.08560	2.5
133.10120	4.8
135.11676	4.4
142.02660	1.8
147.11702	2.0
149.13248	1.8
155.01027	2.7
161.13200	1.8
163.14764	2.0
173.02086	2.3
179.11716	1.8
187.14838	2.1
190.40999	1.4
216.06358	4.1
243.21045	2.1
250.90782	1.3
261.22168	6.8
304.26300	20.3
335.25781	100.0
336.26010	4.0
458.26572	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	479.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24258	5.7
55.23594	4.5
62.79681	4.9
77.76297	4.7
94.93016	19.4
102.91223	5.2
112.89595	28.9
114.89321	53.7
120.96629	7.7
136.94014	94.0
148.94006	38.0
154.94266	9.3
160.81610	5.3
166.95058	39.9
172.95245	14.5
185.29744	4.8
196.88104	6.3
196.95229	20.1
196.96356	4.4
197.97725	5.3
214.89439	37.7
214.96251	21.4
214.99799	7.7
248.89592	17.0
256.90463	33.2
256.98175	29.2
316.99426	11.3
381.07904	100.0
418.98224	6.6
419.03555	80.4
419.08914	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0819
Annotation	Quercetin 4'-glucuronide
Peak:m/z	Relative Intensity
55.01856	0.6
56.36703	0.5
61.02875	0.5
68.27193	0.5
68.99755	1.2
69.03385	0.7
70.06549	1.2
70.65588	1.3
72.08096	0.6
79.01798	1.4
81.03372	1.1
85.02833	1.8
86.09673	1.1
88.82796	0.5
95.01273	0.5
95.04918	0.7
109.02830	1.0
111.00726	1.0
120.08076	0.6
121.02795	0.8
123.00750	0.8
123.04385	0.7
127.03914	0.5
135.04364	1.0
137.02313	3.8
141.01756	1.1
153.00790	0.5
153.01823	7.3
157.04903	0.9
163.03828	0.9
165.01804	3.0
167.03381	8.1
169.01253	0.5
173.05869	0.7
177.01788	1.5
177.05359	1.0
183.02798	2.1
183.04291	0.9
187.03879	1.3
189.05423	0.7
191.03355	1.2
201.05389	2.0
205.04935	1.3
205.26625	0.5
217.05054	2.4
219.02861	0.9
223.63037	0.4
229.04959	6.0
231.06506	1.1
232.07117	0.6
233.04385	0.9
235.06093	0.7
241.04913	0.9
243.02826	1.3
243.06479	0.6
245.04448	1.4
247.05872	0.7
250.70546	0.5
257.04410	6.0
258.05118	0.8
259.06021	4.7
261.03940	2.0
269.04526	1.1
270.05179	1.5
274.04788	0.6
275.05399	1.9
285.03973	3.3
286.04642	2.0
287.05453	1.6
288.06216	1.6
298.04590	0.6
299.05524	0.7
300.06161	0.9
301.06973	1.3
302.04495	1.0
302.07837	2.7
303.04965	100.0
304.05365	3.4
312.06125	0.8
313.07074	0.7
314.04236	9.1
315.04764	2.5
316.05716	4.7
317.06442	6.8
326.04132	1.9
326.07864	2.2
327.05020	3.0
328.05789	4.7
329.06528	34.7
330.07260	10.2
340.05792	1.6
341.06497	6.1
343.08102	6.4
344.05243	11.7
354.03699	0.6
354.07361	4.8
355.08130	1.2
356.05090	1.1
357.05920	1.4
359.07593	52.8
360.07990	1.5
368.05200	1.8
369.05957	1.0
369.09830	7.2
371.07599	2.9
371.94672	0.5
373.09052	1.5
382.06653	0.6
383.07556	10.2
389.08453	3.8
395.07593	0.8
397.09326	2.8
401.08655	0.7
413.08612	7.7
425.08551	5.1
443.09720	18.7
444.10004	1.2
461.10754	26.5
462.11011	0.9
479.11902	37.1
480.12488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05499	3.9
61.45720	1.3
67.05488	3.7
69.03418	4.0
69.07050	4.1
69.38849	3.3
69.39268	7.9
69.62524	1.4
70.06592	7.3
72.08131	1.4
73.02912	2.0
79.05484	1.9
80.91357	1.3
81.03405	3.3
81.07023	4.8
83.08601	2.4
84.08126	2.6
85.02902	10.6
86.09691	3.2
86.22108	1.2
87.00808	2.2
91.05457	6.0
93.07033	3.1
95.08583	4.7
97.02862	4.5
97.06541	1.4
105.01846	2.0
105.07018	7.4
107.04970	2.6
107.08566	4.7
109.02851	4.0
109.10144	2.5
110.07124	2.3
112.07593	2.5
117.01877	1.8
119.07815	2.2
119.08578	26.2
120.66815	1.3
121.10132	2.2
127.03918	6.0
131.08540	2.0
133.10121	24.8
134.71864	1.3
135.11726	2.9
140.06987	1.6
145.04909	2.6
145.10146	1.9
147.11676	4.2
153.01851	2.3
160.12517	1.4
161.05934	1.6
169.46913	1.5
175.14816	100.0
176.15192	2.5
177.16354	1.3
193.15875	4.9
258.05377	1.8
286.04718	3.6
287.05444	5.1
301.07016	20.7
315.05270	1.7
315.08661	5.3
476.33029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.8
55.05507	8.3
57.03443	1.5
57.07068	3.3
67.05502	9.7
69.03423	4.3
69.07050	8.2
70.06583	2.1
70.63983	3.5
71.04982	5.7
79.05484	19.1
81.03411	6.1
81.07051	20.3
83.05001	2.1
83.08613	3.5
85.02899	10.3
85.93780	1.5
86.09705	2.9
87.00830	3.1
91.05462	15.7
93.07034	22.4
95.04955	6.0
95.08603	29.2
96.08886	1.8
97.02883	4.0
97.06495	3.6
97.10145	4.4
98.20704	1.4
99.04447	2.5
99.08080	7.0
101.38905	1.6
103.05469	1.5
105.01865	6.6
105.07020	69.1
107.04951	3.9
107.08588	32.0
109.02864	3.8
109.06502	4.0
109.10146	5.8
113.09620	4.5
117.07002	4.1
119.08569	63.7
120.08027	1.6
121.06524	4.2
121.10106	7.2
123.04382	1.9
123.08045	2.9
123.11707	5.9
125.09632	3.6
127.03893	6.1
129.07022	2.3
131.08534	3.9
133.10118	81.0
134.10382	1.7
135.11678	41.3
137.09595	3.9
143.08508	2.0
145.04959	4.2
145.10057	3.5
147.11662	6.6
147.89291	1.5
149.13263	4.2
161.09587	5.3
175.14809	100.0
176.15169	1.7
181.05009	3.8
189.11310	1.9
189.93398	1.7
193.12241	6.2
193.15858	13.5
213.12917	2.0
231.04932	2.2
249.06058	2.2
287.05560	2.0
288.04239	1.6
299.05405	5.4
299.08777	1.5
300.05984	8.1
301.07007	29.5
315.08600	28.6
319.78561	1.7
340.12717	1.4
357.09634	2.0
367.22781	4.7
384.22333	2.3
385.23721	5.8
403.24634	2.1
410.87976	1.8
458.26254	2.0
459.27222	5.4
462.77496	1.6
466.76514	1.6
476.27103	5.2
476.33191	2.7
477.09885	5.2
477.28235	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	477.1023
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01845	0.1
61.03812	0.1
69.79585	0.7
70.06568	0.2
79.05499	0.1
85.02883	0.2
86.09669	0.2
97.10155	0.1
98.21456	0.2
149.05940	0.1
151.03873	0.2
153.01816	0.5
167.03400	0.2
217.50351	0.1
229.04918	0.5
229.07040	0.2
237.81277	0.1
257.04465	0.2
258.05206	16.5
259.05545	0.6
286.04678	37.7
287.05038	1.3
299.05353	0.1
301.07019	100.0
302.07376	2.9
315.08533	0.2
385.23663	0.1
477.10083	3.3
478.10318	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	475.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01860	0.6
55.05507	2.3
57.03411	0.4
57.07066	0.6
65.03917	0.5
67.05495	7.0
69.03417	0.4
69.07068	1.8
70.65591	0.5
70.65933	0.6
79.05488	3.4
81.03402	3.3
81.06587	0.6
81.07050	7.2
83.04961	1.2
83.08599	1.4
91.05470	3.0
93.07035	3.4
95.04962	2.3
95.08595	6.5
97.06519	0.6
97.10156	0.9
101.06038	0.3
105.07011	1.9
107.04926	1.4
107.08579	2.6
109.02878	0.4
109.06496	1.2
109.10141	6.4
111.08147	0.4
111.11729	0.5
112.02967	0.3
117.07006	0.8
119.08540	3.1
121.06493	1.0
121.10121	1.9
122.07276	1.9
123.04434	0.4
123.08075	0.4
123.11685	1.8
125.09637	0.4
128.06258	0.5
129.06950	0.7
131.08586	0.9
131.10422	0.3
133.10121	0.9
135.04373	0.4
135.08005	1.0
135.11668	2.1
137.09599	11.0
145.06500	0.5
145.10121	1.3
147.07957	0.6
147.11691	0.8
147.14952	0.4
149.09605	3.3
149.13245	0.5
151.07527	0.6
151.11194	0.3
151.14804	0.8
159.11711	0.4
161.06015	0.4
161.09604	0.4
161.13251	0.4
163.11176	1.9
163.14809	0.5
165.09093	100.0
166.09447	1.8
175.07515	0.4
175.11205	0.7
177.09039	1.7
179.10612	0.7
181.12201	0.4
189.09035	0.7
190.09818	0.4
191.10617	0.6
193.12206	0.7
203.10645	0.8
205.12227	6.5
209.11699	0.4
209.87674	0.3
227.12701	2.9
243.13739	0.6
259.24063	0.5
269.10611	0.3
277.25275	0.5
323.25775	1.5
365.21118	0.5
383.22110	1.5
386.52966	0.4
399.38770	0.4
401.23038	0.8
429.33594	1.2
457.25586	1.3
457.32687	0.7
472.03519	0.4
475.15717	0.4
475.26746	4.6
475.33865	1.0
476.27225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92720	1.3
51.50595	1.3
53.03930	1.4
57.03430	26.7
59.04986	4.6
60.04529	2.0
61.02921	2.8
69.03425	85.8
70.06588	3.7
70.51300	4.2
73.02904	3.1
74.11629	1.6
75.04472	3.8
79.05494	1.6
81.03391	3.8
85.02899	68.7
87.04463	62.6
91.03955	1.5
91.05447	2.6
96.13814	1.5
97.02884	61.1
99.04437	2.6
105.07032	7.3
109.02876	4.4
115.03922	100.0
120.08096	2.0
121.06429	1.5
124.05190	11.6
127.03904	5.9
128.78165	1.5
129.07040	2.1
133.04956	94.3
133.06497	4.8
137.05981	13.8
145.04951	7.7
150.07622	11.5
157.06543	1.8
163.05946	3.0
165.09097	37.6
169.04907	2.0
177.08971	2.0
189.09047	4.3
201.09052	4.2
207.10107	2.9
223.06110	1.6
231.10028	3.1
232.19829	1.9
243.10164	4.2
259.08102	3.9
287.05637	1.7
301.06915	3.3
372.58533	1.6
374.72458	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96098	2.8
55.01862	10.8
55.05507	4.8
57.03432	21.6
61.02926	13.6
64.50264	3.1
66.37684	2.8
69.03426	33.3
69.07043	4.2
69.85996	14.5
70.06596	4.6
70.49203	2.8
71.04965	3.9
73.02511	5.3
73.02913	100.0
75.28332	2.9
78.79487	3.0
79.05480	5.2
81.03401	10.8
81.07040	8.1
85.02896	82.9
86.09714	6.7
87.04478	3.9
91.03934	3.5
91.05460	5.7
93.07002	6.1
95.04955	3.0
95.08583	11.5
97.02879	56.4
98.20800	3.1
99.04438	4.6
105.07019	36.6
107.08589	16.7
109.02842	9.1
115.03926	31.0
117.06963	4.3
119.08562	21.9
120.43170	2.8
121.10164	2.8
124.05200	10.0
127.03894	27.1
133.04947	35.0
133.06497	3.3
133.10120	26.9
135.11667	14.9
137.05972	11.2
145.04948	41.1
150.07632	4.1
161.06102	3.2
161.85742	2.9
162.07526	3.5
163.05986	10.2
165.09111	36.3
167.03302	3.6
175.14810	35.0
177.05478	4.2
179.85921	2.7
189.09059	3.2
193.15900	5.2
223.05946	6.4
237.00124	3.1
241.07051	6.9
258.05191	4.0
259.08069	3.1
261.11191	5.6
286.04694	12.2
301.07043	59.9
315.08582	6.0
350.18381	3.0
362.39307	3.4
452.58456	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
54.62212	1.8
55.01868	3.0
55.05506	18.8
57.03430	5.9
57.07057	2.1
67.05495	43.3
67.05841	3.0
67.71251	1.7
69.07069	14.9
69.88433	10.1
71.05016	1.9
72.63616	1.6
79.05481	26.5
81.07045	34.5
83.08616	9.0
85.06548	1.9
91.05473	28.1
93.07034	31.8
95.04956	3.8
95.08596	55.4
95.09169	3.3
97.06547	3.7
97.10177	6.5
98.21642	1.7
105.07014	27.1
107.08584	19.8
109.06539	2.1
109.10148	9.5
117.06978	11.3
119.08569	30.0
119.09370	2.6
121.10136	13.5
123.08074	2.7
123.11773	2.9
129.07050	6.9
131.08545	17.9
133.10117	20.3
135.11711	6.7
141.07025	3.0
143.08588	8.7
145.10129	19.6
147.11653	11.6
149.13263	5.0
155.08553	3.9
157.10144	9.1
159.10242	3.9
159.11728	14.0
161.13307	8.1
169.10178	4.6
171.11684	10.8
173.13237	8.7
175.14778	4.1
177.12762	1.9
183.11694	3.9
185.11775	2.8
185.13312	8.0
187.14815	4.3
195.11787	2.4
197.13268	5.2
199.14899	3.6
201.16498	2.0
211.14897	3.9
213.16522	2.9
225.16508	2.0
241.19713	2.1
249.35315	2.3
256.70505	1.8
267.21164	2.3
271.20712	2.4
285.22235	4.0
289.21762	2.5
358.80685	2.0
363.25262	4.7
365.28149	11.1
377.27295	4.1
383.29474	23.3
401.30722	5.8
442.36191	2.2
457.32907	14.1
475.34152	100.0
476.34659	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	475.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01854	4.2
55.05508	10.4
57.03431	19.9
57.07068	50.5
61.02921	55.5
65.78347	1.3
67.05181	1.7
67.05498	20.5
69.03422	27.2
69.06782	1.2
69.07060	11.8
69.38786	3.3
69.39185	12.7
71.01337	3.7
71.04961	4.6
71.08237	2.2
71.08623	36.9
72.45764	1.5
73.02516	1.7
73.02911	26.6
73.43040	1.5
79.05473	5.3
81.03413	18.4
81.07050	27.2
83.04967	4.1
83.08240	1.8
83.08620	18.9
85.02895	58.7
85.10172	21.0
87.04461	2.2
88.34343	1.4
91.03945	44.1
91.05453	3.3
93.07014	6.3
95.08594	36.6
97.02884	46.5
97.10155	8.3
98.21535	2.6
99.04428	8.4
101.02361	11.8
103.03915	7.7
105.07001	2.7
107.04912	1.4
107.08566	2.7
109.02879	9.6
109.06487	1.8
109.10136	19.2
111.04424	3.2
111.11689	2.4
115.03927	4.5
117.05470	3.3
117.06961	2.2
119.08558	3.0
121.10102	4.0
123.11702	8.2
125.13294	2.1
127.03896	21.1
129.05429	3.6
133.10062	1.6
137.05923	1.3
137.13232	3.2
141.05421	1.5
143.08490	2.3
145.04913	8.9
147.04333	1.9
159.06500	3.1
161.13257	1.6
183.06523	4.8
201.07590	3.8
221.22600	3.0
239.23691	28.3
257.24722	4.2
285.34128	1.6
310.72192	1.7
313.27332	100.0
314.27554	3.4
337.80063	1.7
341.26740	2.8
355.28223	1.8
411.16129	1.6
457.31552	3.8
475.32611	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	475.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01845	1.6
55.05507	19.9
57.03426	5.1
57.07072	2.2
57.80211	1.3
62.72602	1.5
65.03929	3.1
66.90429	1.7
67.05499	52.5
69.07063	18.0
71.05007	2.6
71.26973	3.6
79.05489	29.8
81.07050	43.1
81.19143	1.5
83.04978	2.2
83.08616	12.3
85.06523	2.5
91.05473	28.1
91.06020	1.9
93.07037	42.5
95.04970	5.7
95.08600	98.3
97.06517	6.0
97.10152	3.7
105.07016	29.9
105.07681	1.9
107.08578	17.6
109.06496	3.9
109.10143	7.8
111.08058	2.6
117.07005	9.6
119.08578	28.9
121.06458	2.2
121.10139	16.8
123.08041	3.3
123.11720	2.1
125.09601	1.6
129.06999	6.0
131.08540	15.1
133.10110	19.0
135.11716	10.5
143.08540	9.2
145.10115	20.1
147.11685	12.5
149.13292	5.1
155.08592	3.9
157.10146	5.7
159.10208	10.1
159.11719	12.5
161.13254	7.7
169.10109	4.9
171.11702	11.4
173.13257	8.5
175.14853	3.0
183.11720	4.4
185.13341	6.7
187.14867	4.6
193.13602	1.6
197.13313	3.1
199.14899	3.7
211.14954	2.6
213.16469	2.5
216.09804	1.4
225.12582	1.5
225.16399	2.1
227.18156	2.1
241.19524	1.9
259.20444	2.4
261.22299	4.6
271.20721	2.0
317.24667	2.0
346.19531	1.7
363.25360	3.5
365.28418	8.1
377.27002	3.2
383.25568	2.3
383.29507	15.0
401.30988	2.8
457.33176	8.1
475.34229	100.0
476.34637	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.2
52.61152	1.4
53.03937	10.2
55.01860	3.3
55.05504	26.9
55.89270	1.2
57.03414	5.6
57.07052	2.5
65.03918	5.4
67.05497	93.9
69.03430	1.4
69.07062	24.5
69.53674	6.5
69.54094	3.2
71.04975	7.0
79.05483	94.0
81.03414	9.6
81.07047	99.7
83.04969	16.7
83.08610	14.8
85.06534	3.2
85.12241	1.3
91.05473	65.7
92.05762	1.9
93.07033	100.0
95.04952	24.7
95.08598	40.1
96.82016	1.4
97.06507	13.0
97.10155	4.1
98.06026	1.7
98.21526	1.4
99.08080	3.1
105.04512	3.6
105.07023	45.8
107.04958	7.7
107.07877	2.1
107.08582	36.0
109.06512	6.7
109.10141	5.5
111.08096	6.4
111.25687	1.2
113.09672	1.5
115.05456	2.8
117.07022	13.5
119.08564	23.4
121.06528	4.1
121.10122	16.9
123.08081	5.6
123.11707	1.8
127.07584	2.7
128.06244	2.5
129.06987	13.2
131.08545	10.6
133.10092	14.0
135.08040	1.9
135.11679	8.1
137.09656	1.6
143.08580	7.4
145.10085	9.4
147.11664	30.6
149.13239	25.3
159.11678	12.0
161.09589	3.2
161.13237	11.5
161.21733	1.5
163.11205	1.7
171.11655	27.4
177.12798	4.2
179.14320	1.4
189.12717	11.1
195.13789	8.1
207.13800	29.8
225.14906	4.1
242.07552	1.4
250.50549	1.3
269.17569	1.8
303.56491	1.4
304.26230	7.9
335.20499	1.9
475.30579	66.8
476.31006	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	475.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92594	1.0
53.03928	3.4
55.01868	1.5
55.05507	8.5
57.03163	1.0
57.03431	17.0
57.07067	45.1
58.07351	0.9
61.02919	50.1
63.48759	0.9
66.18707	0.9
67.05501	14.0
69.03423	24.2
69.07061	10.9
69.34610	5.2
69.35035	4.4
71.01341	4.6
71.04977	2.7
71.08623	32.7
73.02512	1.2
73.02910	22.0
75.04494	1.5
79.05473	2.4
81.03412	14.9
81.07048	22.5
83.04961	2.9
83.08604	15.0
85.02898	52.9
85.06498	1.2
85.10170	19.9
87.04472	2.9
89.06020	1.1
91.03947	34.0
91.05485	1.4
93.07022	2.8
95.04913	1.7
95.08595	26.9
95.09180	1.8
96.97833	0.9
97.02879	46.9
97.06550	1.2
97.10137	8.7
99.04431	9.0
99.11713	1.4
101.02366	11.2
103.03925	6.6
105.07008	1.2
107.08575	1.3
109.02863	11.0
109.10150	12.9
111.04450	1.0
111.11716	2.7
115.03904	4.2
117.05481	2.7
123.11736	7.4
125.13267	1.8
127.03905	18.1
129.05473	2.3
133.71358	1.0
137.13251	3.6
141.05424	1.5
145.04961	7.6
151.14828	2.0
159.06488	1.8
183.06558	4.7
201.07645	4.7
221.22603	3.0
239.23653	29.1
240.23808	1.1
257.24747	4.6
263.81561	1.0
313.27338	100.0
314.27612	2.6
341.26779	4.1
355.28537	2.5
383.27988	1.6
457.31442	5.7
475.32629	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	475.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.6
57.03423	7.6
61.02918	3.7
65.03934	4.3
68.99821	2.3
69.03429	5.1
70.06570	5.9
71.15254	4.8
72.08144	9.3
73.02907	2.0
79.05490	2.3
79.83883	1.8
81.03416	4.9
84.04477	2.7
84.08127	2.2
85.02897	37.8
86.09695	10.7
91.05465	3.5
93.03387	3.2
94.78317	1.7
95.01321	3.9
97.02897	12.6
103.03929	7.2
103.05495	2.3
105.03379	5.4
107.04906	2.3
109.02888	11.0
115.05439	3.1
119.04927	4.7
121.02299	1.6
121.02874	18.2
123.04435	5.7
125.02519	1.7
127.03930	2.4
127.05386	1.9
129.06967	2.9
129.10287	2.1
131.04889	4.7
133.02786	2.0
135.04398	6.8
137.02298	2.1
139.03928	5.7
141.07016	2.6
145.06505	3.5
147.04346	10.8
149.02332	3.3
149.06029	2.9
151.03954	9.1
157.06531	4.5
159.04378	9.4
161.05972	10.0
163.03894	16.4
165.05531	4.8
167.03384	2.8
169.05095	2.7
169.06464	3.9
171.04420	7.6
173.05963	7.2
175.03896	26.1
175.07484	2.8
177.01839	2.5
177.05441	15.2
181.04933	28.0
181.06393	3.5
185.05917	11.4
187.03896	22.2
187.07558	2.4
189.05472	12.1
191.03352	5.3
191.07008	6.4
193.04948	44.1
197.05965	8.3
199.03899	5.8
199.07553	2.3
201.01830	3.8
201.05467	22.0
203.03389	7.1
203.07011	9.8
205.04950	50.7
207.06421	3.7
209.05978	2.4
211.04095	2.2
211.05966	7.0
211.07672	3.6
213.05437	19.9
213.12367	3.2
215.03329	2.2
215.06984	10.0
217.04944	34.5
217.08430	2.8
219.03001	12.3
219.06497	27.6
221.04372	16.9
223.05968	36.6
223.07899	3.3
225.05417	13.7
226.06110	2.3
227.06987	9.9
229.04976	18.6
229.08836	2.3
230.05699	2.9
231.06505	25.5
233.04379	4.6
233.08022	2.8
235.05914	19.9
237.05469	4.2
239.07010	4.1
241.04926	24.1
243.06497	19.5
245.04437	4.4
245.08125	7.9
247.05998	100.0
251.07060	3.5
253.04956	11.4
255.06573	13.1
257.04495	3.7
257.08008	5.9
259.05997	96.6
260.06290	2.4
261.07510	3.8
265.04944	5.2
266.05548	2.1
267.06482	8.3
269.08234	2.9
271.06012	43.2
273.07568	15.2
277.07040	41.3
279.06497	7.8
281.04401	2.6
281.07809	2.0
283.06030	23.6
285.04660	3.0
285.07455	16.3
287.05408	5.9
289.07031	86.7
291.06192	2.3
295.05966	6.9
297.07492	15.0
299.09012	4.7
301.07053	69.6
305.06525	2.5
307.08325	36.4
309.07446	4.6
311.05511	2.0
311.09006	4.7
313.06827	65.3
315.08655	5.3
319.08200	23.5
325.06357	11.4
325.09689	86.7
327.08722	3.2
331.08224	9.4
337.09030	19.6
343.08023	51.2
349.06924	3.6
355.08176	27.5
361.09140	32.8
367.08096	16.4
373.09146	43.0
379.10226	23.8
385.09055	20.1
391.05267	3.8
391.10178	53.1
403.10251	35.0
409.11200	7.4
421.11252	30.1
439.12415	26.5
457.13217	9.6
475.17957	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77530	2.1
56.96563	4.0
61.59732	1.7
69.03411	2.2
69.33172	2.0
70.02948	2.1
71.51589	3.7
72.08118	2.7
74.02435	32.8
81.03468	2.0
84.08134	2.8
85.02882	5.5
86.09676	4.2
87.05576	31.8
88.03979	9.2
97.02882	3.5
98.97567	6.3
110.97584	1.9
116.03416	8.6
116.98618	2.3
119.01917	2.3
133.06070	100.0
145.00722	3.4
145.04942	2.6
145.50908	1.8
151.00729	2.7
160.01297	2.4
166.01250	2.3
177.98236	2.1
181.01717	2.1
181.04871	9.6
186.99130	4.8
189.06335	2.0
208.00620	2.7
211.01163	3.1
217.01166	3.6
219.01834	2.7
221.21805	2.0
223.00989	4.5
232.01521	4.8
232.03603	2.8
237.02785	2.1
253.02180	9.0
253.52199	2.1
262.02505	2.8
268.02573	2.1
274.02734	2.9
291.03967	2.8
394.31619	2.4
415.09387	2.4
417.34909	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	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13277	0.4
70.06570	0.7
71.15401	0.4
71.15749	0.9
72.08141	0.9
81.03426	0.4
85.02874	0.6
86.09681	0.9
88.58579	0.4
95.06055	0.8
104.04971	0.6
105.03380	0.5
105.05733	0.7
105.06980	0.8
106.06551	0.6
111.05545	3.6
111.65905	0.4
120.04492	2.5
123.05543	0.7
124.05093	0.6
125.05862	0.6
126.06618	2.5
129.10233	0.4
132.04439	25.6
133.05194	0.5
134.06001	4.8
137.04671	2.3
151.03885	1.3
151.06131	10.3
158.06013	0.6
165.07785	0.5
177.03983	0.5
194.06726	5.0
195.07527	0.9
202.09782	2.0
216.11220	0.8
219.44048	0.4
227.09291	0.6
230.09248	1.5
242.09213	5.6
249.19055	0.4
257.10315	4.3
258.08527	0.6
259.11880	10.3
260.53751	0.4
284.11349	3.5
298.39615	0.4
302.12448	17.0
303.12988	0.6
327.11856	3.5
345.13013	100.0
346.13437	2.0
456.16068	1.2
474.17349	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01847	1.4
55.05503	1.0
56.20661	0.6
57.24151	0.7
65.03915	1.0
67.05489	1.6
69.03405	2.3
69.07061	1.1
70.06559	0.8
71.52741	1.2
79.05490	5.7
81.03396	1.0
81.07042	3.0
85.02880	0.8
86.09698	0.8
91.05469	5.1
93.07028	3.1
95.04956	7.6
95.08598	4.6
97.10178	0.7
103.40197	0.7
105.07024	4.1
106.29910	0.6
107.04929	2.0
107.08587	13.9
108.05294	0.8
109.06487	5.0
109.10155	3.2
115.05430	1.1
117.06989	5.3
119.08599	1.6
121.06477	1.0
121.10133	0.8
131.08543	3.2
131.09410	0.8
133.10120	2.1
135.08038	100.0
136.08449	1.4
147.11649	0.8
149.09613	0.9
158.10767	0.9
165.09033	0.8
167.72083	0.8
173.13271	4.5
182.40945	0.7
191.14290	69.7
192.14622	2.1
282.14102	0.6
303.56177	0.7
475.27069	1.6
484.59036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01859	2.5
55.05504	1.7
57.03414	1.8
57.07058	1.3
61.02909	1.6
61.35503	0.6
66.62796	0.7
67.05494	5.3
68.91298	0.6
69.03422	6.7
69.07051	1.3
70.12481	1.4
70.12877	1.6
71.04990	5.4
72.08135	0.7
73.02885	1.1
79.05498	3.3
81.03419	6.2
81.07044	4.3
82.06606	0.6
83.04936	0.9
83.08586	1.0
84.04478	0.6
85.02895	15.6
85.06531	3.0
87.00812	4.5
91.05472	6.9
93.07029	4.8
95.04950	5.2
95.08581	5.6
97.02874	5.8
97.06509	3.5
99.04430	2.8
105.01857	4.6
105.07013	15.2
107.04934	0.7
107.08571	9.8
109.02862	5.5
109.06503	64.7
109.10143	16.6
111.08056	1.7
115.05423	1.1
117.01958	0.8
117.06979	2.0
119.08574	5.5
120.08068	0.8
121.10136	3.8
123.08057	8.0
123.25566	0.6
127.03893	8.8
129.07001	1.1
131.08551	24.4
131.09541	1.4
133.10107	58.9
134.10446	0.8
135.08032	25.2
135.11615	0.8
135.89928	0.6
143.08519	2.2
144.09300	0.7
145.02853	0.8
145.04910	2.7
145.10127	5.4
147.11630	4.3
149.09557	3.8
149.13216	2.7
153.09088	2.7
158.10895	3.5
159.02879	3.2
173.13246	43.3
174.13657	0.8
175.14848	1.9
177.05479	2.1
191.14279	100.0
192.14656	2.0
209.15332	45.9
210.15665	1.0
231.04929	1.3
245.82414	0.8
315.60776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01859	5.0
57.03436	2.5
59.04997	1.6
61.02911	3.2
67.05489	3.8
68.12828	1.2
68.56009	1.3
69.03421	13.6
69.07062	3.5
69.50444	10.3
70.06588	8.1
71.04978	1.8
71.10721	1.2
72.08141	2.8
73.02893	3.1
79.05477	3.6
81.03416	12.3
81.07037	6.2
82.20535	1.4
83.04958	1.7
84.08119	2.7
85.02383	1.4
85.02893	25.3
85.06509	1.6
86.09697	8.6
87.00832	10.9
91.05478	5.5
93.07024	4.5
93.68765	1.3
95.04958	2.9
95.08603	3.8
97.02872	9.1
99.04449	6.9
105.01866	6.1
105.07019	29.4
107.04958	2.1
107.08580	6.1
109.02869	13.8
109.06496	3.2
109.10146	3.2
117.01833	1.6
117.06997	2.2
119.04953	4.4
119.08573	18.2
120.08081	1.4
121.06514	3.1
121.10130	8.0
123.08057	20.8
123.11704	1.4
123.89157	1.2
127.03909	22.5
128.77438	1.2
129.01808	1.3
129.10223	1.7
131.04904	2.8
131.08574	4.8
133.06464	5.3
133.10139	10.8
135.08028	5.1
135.11713	1.4
137.09627	2.6
143.08601	4.4
145.04951	7.9
145.10120	6.0
147.08032	4.6
147.11696	7.3
149.06029	2.4
149.09607	10.0
151.07524	32.5
156.09325	6.8
159.02899	7.0
159.11722	1.6
161.13239	42.9
163.11125	10.9
165.09100	1.9
167.06926	2.2
171.11674	16.1
174.10339	1.7
177.05383	2.2
181.12112	1.7
187.30222	1.4
189.12720	42.9
190.13141	2.0
191.06998	3.3
191.14319	3.7
192.07800	8.1
203.21814	1.4
207.13785	100.0
208.14095	2.8
213.03879	2.2
223.13266	2.1
225.14850	18.0
231.04987	5.2
245.04448	2.0
249.37701	1.3
264.54288	1.3
402.08517	1.4
473.19736	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	473.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03934	9.7
54.53121	1.0
55.01854	4.1
55.05502	21.6
57.03430	5.1
65.03923	4.4
67.05498	53.8
68.05773	1.1
69.03403	2.2
69.07059	10.7
71.04969	4.0
73.06533	1.8
79.05006	2.0
79.05482	64.7
81.03409	100.0
81.07046	42.5
81.07530	1.8
83.04964	13.4
83.08611	21.4
85.06524	2.7
91.05470	65.2
93.07033	47.9
95.04955	41.7
95.08595	19.5
97.02878	3.2
97.06522	6.0
97.10146	3.6
99.08000	1.2
101.81020	0.9
103.05463	1.8
105.04511	2.0
105.07019	43.2
107.04931	10.2
107.08575	14.4
108.14321	1.0
109.06510	7.4
109.10148	5.4
111.04424	1.8
111.08057	7.5
115.05441	3.5
117.07006	10.4
119.04950	1.6
119.08575	29.8
121.06477	4.2
121.10117	8.4
123.08051	5.6
123.11629	1.1
125.09617	1.8
128.06186	4.3
129.06975	22.1
130.07736	1.1
131.04950	1.2
131.08560	13.6
133.06461	4.0
133.10123	10.9
135.08023	1.6
135.11697	2.6
136.51009	0.9
137.09616	2.3
137.88734	0.9
141.06931	2.3
142.07750	3.4
143.08557	8.6
145.06444	3.7
145.10078	9.3
147.04430	1.2
147.08035	5.3
147.11667	30.6
149.02350	1.9
149.09616	3.0
155.08519	1.8
156.09280	1.3
157.06476	1.4
157.10118	10.5
159.08052	2.2
159.11617	1.9
161.09579	2.8
161.13225	7.3
165.12723	1.5
171.08012	2.3
171.11662	19.3
175.11159	7.6
185.13222	1.7
189.12706	8.6
193.12222	29.7
193.13889	2.0
195.11646	1.7
207.13753	20.5
213.12677	1.1
225.14714	2.6
225.96970	1.0
229.15866	3.0
231.13744	1.1
249.14838	5.5
267.15744	1.1
287.99402	1.1
333.33701	1.0
363.23120	3.0
381.24069	4.8
399.25281	2.9
403.24713	1.5
455.27866	3.9
473.14697	3.0
473.28931	69.9
474.29071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.0
56.84124	2.6
60.04496	3.8
60.47158	2.5
67.05506	5.8
69.07054	10.6
71.08616	3.1
71.53531	3.1
73.90085	2.8
79.05470	2.7
81.07034	7.5
86.09695	100.0
89.06016	3.1
91.05475	4.3
93.07040	4.4
95.08591	9.9
98.98409	3.0
102.92471	3.1
121.10126	4.7
129.58119	2.8
133.10167	3.2
161.52612	2.6
186.13310	5.6
186.14876	76.1
214.14345	33.7
314.19531	25.0
399.28320	42.0
400.28662	3.8
427.28076	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01857	6.4
55.05498	8.6
57.03423	4.2
61.02910	2.3
61.98069	2.4
67.05490	12.3
67.05980	2.1
69.03426	16.4
69.07059	10.0
70.06585	20.6
71.04995	3.1
71.52978	3.3
72.08132	15.3
73.02896	3.4
79.05465	5.5
81.03409	15.8
81.07041	7.9
83.04958	3.8
83.08557	2.1
84.04472	3.3
84.08122	6.6
85.02892	22.3
85.06534	2.9
86.09695	65.6
87.00819	9.9
87.10013	2.2
91.05478	14.2
93.07044	11.0
95.04925	3.4
95.08596	84.8
97.02892	11.8
99.04436	7.4
105.01837	7.4
105.07016	24.9
107.08553	15.8
109.02876	12.8
109.06549	2.4
109.10136	8.1
110.07201	3.0
113.20882	2.2
117.01862	2.5
117.07000	3.0
119.08564	45.4
120.08122	3.4
121.06479	5.3
121.10132	20.0
123.08061	18.9
124.08813	2.2
127.03909	13.0
129.10233	2.8
131.04927	4.2
131.08542	6.0
133.04297	2.1
133.06468	8.3
133.10100	40.4
134.10431	2.1
135.04465	2.7
135.08052	4.3
135.11671	68.5
136.07541	3.4
137.05963	2.6
137.09586	7.5
137.13243	8.0
145.02861	2.5
145.04907	5.6
145.06581	2.6
145.10115	7.0
147.04378	3.4
147.08035	5.3
147.09099	2.3
147.11678	34.7
149.09593	24.7
151.07507	10.7
156.09285	5.4
159.02910	8.3
159.08003	2.8
161.09624	3.4
161.13240	100.0
165.12746	2.8
167.07028	3.0
171.11658	6.2
174.10443	4.8
177.05472	5.8
179.14293	8.6
185.16524	3.2
189.12721	72.9
189.14452	3.5
192.07820	4.1
199.18068	5.7
200.34705	2.3
207.13777	74.2
208.14021	3.0
213.12328	2.9
213.15947	2.7
223.13322	3.7
225.14795	5.1
229.15305	2.6
247.12891	4.8
261.14569	2.1
311.05493	24.2
473.30786	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12433	2.3
53.03939	6.3
55.01871	12.3
55.05506	7.2
57.03427	5.2
61.02919	4.2
63.02346	2.2
65.05785	2.1
67.05495	13.3
68.99783	4.5
69.03425	30.4
69.07057	7.3
70.06593	2.7
70.53648	2.1
70.88282	3.8
70.88593	2.6
71.04982	11.7
73.02905	5.5
75.50555	2.0
76.13010	2.2
79.05474	9.6
81.03413	20.9
81.07051	12.1
83.04975	7.8
85.02899	58.4
85.06528	2.6
86.09676	3.3
87.00807	23.2
91.05467	19.7
93.07046	20.3
95.04951	21.1
95.08593	13.7
97.02889	22.1
97.06503	6.2
97.10146	2.6
99.04424	10.7
105.01853	16.5
105.03387	27.3
105.07022	24.4
106.03706	14.2
107.04961	7.7
107.08585	13.5
109.02883	20.8
109.06511	17.8
109.10155	16.5
111.04459	8.1
117.06997	5.5
119.04949	2.9
119.08570	37.3
121.06517	7.3
121.10136	80.4
123.04459	2.8
123.08079	19.6
123.11690	5.8
125.09628	3.3
127.03913	28.1
128.06219	3.8
129.01862	4.6
129.06989	5.2
131.08528	19.1
133.06474	5.6
133.10107	17.0
135.04430	3.1
135.08049	10.2
135.11696	9.4
137.06018	3.5
137.09618	14.0
137.13208	2.5
140.45784	2.4
141.06985	2.9
142.07721	2.8
143.08539	6.9
145.04950	9.9
145.06496	2.8
145.10120	13.0
147.02898	2.6
147.04401	4.4
147.08049	21.8
147.11678	17.9
149.09612	35.5
151.07536	32.8
151.11189	3.7
156.09334	5.4
157.10155	5.3
159.02919	8.8
159.08032	5.4
159.11703	9.7
161.05984	3.5
161.09599	8.1
161.13240	61.5
163.07436	2.5
163.11197	7.3
165.05484	3.1
165.09116	17.2
165.12729	4.4
169.10127	2.8
171.11644	12.0
173.09668	2.9
173.13266	5.6
174.10445	3.3
175.07643	4.1
175.11206	3.4
177.12590	3.1
179.14264	14.0
185.09586	3.7
185.13231	2.7
187.11179	6.4
189.09097	12.9
189.12732	71.4
190.09462	9.2
190.13147	3.1
191.14326	7.4
193.08626	2.5
195.11740	3.3
201.12766	7.7
203.14346	4.5
205.12256	3.4
207.13774	100.0
211.11116	3.8
213.12628	4.7
217.12282	2.9
225.12788	5.0
225.14804	22.9
229.12227	4.5
231.05045	3.4
231.13812	15.8
249.14883	7.9
255.13814	6.8
273.14734	5.6
279.13818	3.1
291.16049	4.9
297.14969	7.1
315.15842	6.3
353.12274	3.9
371.13278	4.5
419.17007	3.0
455.19220	3.2
473.24884	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	472.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
53.03939	7.9
55.01867	11.8
55.05503	1.0
57.03430	5.8
59.72138	0.8
61.02657	0.9
61.02922	7.0
67.05468	1.1
68.99781	3.8
69.03423	31.8
69.07048	1.0
70.06596	1.3
71.01341	1.7
71.04975	5.7
71.32551	1.7
72.57449	0.8
73.02919	8.9
79.05478	2.5
81.03409	31.9
81.07051	1.5
82.40965	1.0
83.01320	1.1
83.04947	1.8
85.02895	100.0
85.06522	2.6
87.00817	38.0
87.04459	1.9
91.03919	2.5
91.05480	1.1
93.15089	0.9
95.04940	2.8
95.96040	0.8
97.02882	57.7
99.04447	17.3
103.03883	0.9
105.01856	56.6
105.03371	27.9
105.06987	1.3
107.04947	2.5
108.04455	1.4
108.05296	1.2
109.02860	35.7
111.04430	1.9
117.01842	5.5
121.06474	1.1
123.04415	3.9
127.03902	95.4
129.01817	6.0
137.02299	1.0
145.04939	55.4
147.02876	2.7
147.08073	2.1
149.05963	1.1
151.78870	0.9
159.02876	24.2
163.03920	0.9
165.09120	1.2
171.02986	1.0
175.07507	2.2
177.03899	2.9
189.03937	2.6
189.09100	7.8
193.08644	2.0
211.09679	2.0
213.03943	5.3
219.23384	0.9
230.06699	1.0
231.04967	26.6
249.05956	6.5
297.85995	0.9
303.15656	1.0
315.10895	2.1
324.17795	1.0
355.56342	0.9
362.10950	3.7
392.37503	0.9
448.49420	1.0
454.13583	1.2
472.22141	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	472.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.0
56.05027	0.9
58.62132	0.9
70.06577	3.9
70.42268	1.5
70.42656	1.7
71.04988	1.0
72.08147	2.7
79.05498	1.0
81.03393	1.2
81.07030	1.6
84.04495	1.3
84.08104	1.5
85.02901	2.6
86.09692	8.6
91.05489	5.6
95.04937	1.5
97.02863	1.2
97.30520	0.8
103.05444	1.4
105.07033	1.2
107.08578	1.4
109.02866	1.1
109.06541	1.0
115.05412	1.5
117.07030	1.0
119.04932	4.1
120.08104	1.4
121.06591	1.0
123.04404	1.5
125.62274	0.9
127.03952	1.5
130.61395	1.2
131.04895	1.6
132.05699	1.7
135.04399	2.1
137.05966	8.3
141.03349	1.1
143.04866	1.2
145.06514	1.7
147.04396	3.4
149.05969	2.6
150.06737	2.8
151.03897	2.0
158.03627	2.9
161.06009	1.9
163.11153	1.4
165.06960	1.4
166.07739	1.3
168.11385	0.9
173.05988	5.4
175.03879	3.2
176.06189	2.4
177.05508	1.4
177.06952	5.3
178.07724	1.0
180.10165	1.0
186.03113	8.7
191.06995	1.5
192.07780	1.6
193.06500	1.8
194.07254	5.8
201.05447	21.3
204.05661	2.1
205.06459	20.5
206.07173	2.1
207.06522	1.2
207.13783	3.6
211.07457	1.5
219.08025	2.4
221.05954	5.8
222.06784	13.5
227.07065	1.2
233.05968	20.7
234.06616	5.6
236.08162	1.4
237.09105	12.2
239.06990	3.4
246.06770	1.0
247.07571	3.9
249.05510	7.3
250.06248	20.9
251.06973	3.0
261.05472	3.5
264.07846	6.8
265.08582	32.7
266.09207	3.3
267.06552	2.5
275.06790	1.2
277.04926	2.9
278.05725	6.7
279.06491	2.6
279.10077	3.0
281.08069	1.3
282.08743	4.8
292.07278	19.4
293.08044	31.9
295.05978	3.4
297.11148	5.8
307.09619	51.9
308.10089	1.2
309.07550	1.2
310.08212	4.3
325.10693	100.0
326.11005	3.3
342.41663	1.0
472.19519	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	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61605	1.0
55.05504	14.1
56.03627	0.9
57.03424	3.6
57.07071	37.6
59.04991	3.9
64.00736	1.1
65.03929	2.4
67.05499	100.0
67.84922	0.9
69.07070	10.1
71.04980	2.7
71.08629	26.7
79.05475	3.2
81.07049	30.0
81.07520	1.5
83.08606	14.5
85.06535	2.5
85.10175	14.9
89.06004	1.5
91.05460	6.8
93.07032	3.6
95.08598	26.3
97.06568	1.1
97.10175	3.2
105.57448	1.1
107.08610	2.4
109.10144	77.9
111.08070	2.4
119.08537	5.9
123.11694	3.5
125.13300	1.3
131.08537	1.1
137.09602	4.3
137.13257	2.4
155.10663	3.5
173.11719	25.5
173.13194	1.4
186.54572	1.1
231.99500	1.0
239.23705	7.0
246.01381	1.0
278.49622	1.1
463.13760	1.5
467.37329	79.9
468.37564	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	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
55.01849	9.6
55.05506	27.8
57.03435	3.8
58.08155	3.6
61.02916	5.0
61.89359	3.1
65.03918	3.8
67.05497	28.4
68.99770	6.3
69.03417	20.7
69.07066	24.2
69.35350	27.4
69.35757	8.4
71.04962	5.7
73.02907	6.2
74.17273	3.0
76.63806	3.9
79.05487	19.4
81.03413	25.0
81.07041	59.0
83.04988	22.3
83.08611	10.0
85.02887	33.8
87.00832	9.2
91.05472	42.7
93.07036	100.0
95.03906	3.7
95.04954	14.9
95.08595	37.1
97.02866	14.3
97.06512	11.9
99.04431	7.2
103.03894	6.8
105.01873	7.7
105.07012	39.8
107.04939	4.5
107.08585	40.8
109.02840	21.9
109.06499	11.5
109.10130	47.2
111.08076	27.3
111.11765	4.2
115.03911	5.7
117.07018	7.1
119.04910	5.6
119.08567	43.4
121.10126	32.3
123.08058	6.7
123.11659	12.9
123.47712	4.0
125.09621	7.0
125.47700	3.5
127.03906	16.8
131.08569	22.6
133.10127	26.6
135.08060	7.0
135.11667	16.3
137.09605	7.1
139.11192	4.7
143.08524	10.3
145.02831	6.1
145.04994	6.8
145.10075	14.8
147.04346	7.9
147.11635	30.4
149.09573	7.3
151.07491	5.5
153.09026	4.4
155.08484	5.4
157.10071	9.4
159.02858	5.7
159.08087	4.7
159.11649	15.6
161.05978	4.0
161.13196	12.0
163.11198	7.9
167.03461	4.3
169.10020	3.9
173.09599	6.6
173.13281	6.5
175.11220	4.2
175.14845	4.5
177.05437	14.0
177.09097	5.3
177.12717	6.6
183.03163	3.6
185.13173	4.9
189.03964	4.4
189.16367	5.5
191.10542	4.6
201.16399	7.8
203.17928	31.3
211.14702	4.0
213.98744	4.5
219.17508	4.5
221.18942	8.4
221.38617	3.6
231.04950	5.2
243.17386	3.9
245.18810	3.7
287.20050	4.1
291.66379	3.7
311.20007	9.3
329.20969	5.9
385.53885	4.4
433.21857	5.5
451.23325	5.3
469.23615	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67144	4.6
53.03934	10.4
53.07992	5.0
55.01865	9.9
55.05506	30.3
57.03413	13.9
57.39579	4.5
61.02910	11.3
62.64320	4.9
65.03923	7.1
67.05499	38.9
68.99766	11.0
69.03423	42.5
69.07053	30.6
69.36092	16.9
69.36522	28.2
70.06558	15.9
71.04983	50.6
73.02878	7.2
75.02675	4.6
79.05104	5.1
79.05489	45.8
80.38779	5.1
81.03412	45.8
81.06587	7.8
81.07041	100.0
83.04966	18.5
83.08607	14.1
84.08142	7.2
85.02890	67.2
85.06534	7.1
86.09677	14.6
87.00819	32.3
91.05469	51.0
93.07028	60.3
95.04941	30.6
95.08594	77.4
97.02905	31.3
97.06519	21.1
97.10155	7.4
98.21481	10.8
99.04413	10.2
99.08081	6.0
103.03908	11.6
104.10709	5.7
105.01833	10.8
105.07020	89.9
107.04950	17.6
107.08579	80.6
109.02844	23.2
109.06470	25.0
109.10143	71.3
111.04417	15.8
111.08055	10.1
112.07629	5.8
113.02364	5.8
113.09543	5.8
115.03905	14.5
117.06976	19.5
119.07812	8.2
119.08573	81.3
121.06490	15.4
121.10128	52.8
123.04437	11.4
123.08039	15.9
123.11718	27.6
125.09606	8.8
127.03876	26.4
127.11195	36.5
128.06262	8.7
129.01796	11.3
129.06979	16.7
131.08553	44.3
133.06444	6.6
133.10112	61.2
135.04407	10.3
135.08040	12.3
135.11662	40.3
137.05956	13.7
137.09549	13.2
139.03891	5.9
141.06978	6.8
142.07761	12.7
143.08496	27.5
143.10620	5.5
145.10110	55.2
147.02831	7.5
147.04375	8.6
147.08034	15.1
147.11685	46.6
149.09601	9.0
149.13228	22.0
151.03760	5.3
151.11160	6.3
153.12692	20.2
155.08545	11.6
156.09302	6.5
157.06436	6.9
157.10190	27.6
159.02853	10.0
159.08046	10.0
159.11687	70.0
159.12924	8.9
161.09578	11.5
161.13193	19.6
163.03891	16.7
163.07455	5.9
163.11156	8.9
165.12784	6.5
167.08458	5.3
169.10101	15.9
171.02893	6.3
171.08076	13.0
171.11641	26.5
173.13223	21.2
175.11185	12.7
175.14774	16.5
177.12692	14.5
177.16385	10.7
181.10071	9.9
183.11636	11.9
185.13174	10.7
187.11211	7.1
187.14833	6.6
189.03899	7.7
189.08929	8.1
189.12701	7.6
189.16383	19.3
191.07039	7.0
191.14240	7.7
193.15802	7.0
195.11696	8.5
195.17331	6.5
197.13106	6.6
199.11163	9.2
201.12790	8.7
201.16342	20.2
203.14386	10.1
203.17891	19.8
207.11784	6.5
213.16338	6.1
215.14186	7.0
215.17854	10.5
219.17441	7.9
221.19014	8.6
225.12695	20.8
227.18008	9.6
233.18951	6.8
241.15906	11.9
243.13676	13.6
243.17432	7.8
245.19006	10.7
257.18961	6.8
259.09558	7.1
261.18420	9.3
263.19995	14.8
287.19958	6.7
311.20016	13.7
329.21075	18.6
407.23843	7.9
433.22025	12.0
446.95694	5.4
450.18146	5.4
451.23364	18.8
469.19150	8.6
469.24857	8.1
471.94458	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	468.3078
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05492	0.8
56.05026	0.9
57.03416	0.9
57.07067	3.2
58.06590	1.3
59.07383	0.4
60.08154	15.4
67.05486	0.7
69.07046	0.9
71.06984	0.5
71.07357	5.8
71.08621	2.2
71.26794	0.7
74.11169	0.4
81.07010	0.9
84.81811	0.4
85.10154	1.0
86.09693	45.8
87.10011	0.4
88.56119	0.3
95.08588	1.9
98.98444	3.4
100.05167	0.3
104.10725	100.0
105.11064	0.9
109.10180	0.6
112.17606	0.4
124.99982	26.3
130.85287	0.4
163.01498	0.8
184.07314	94.7
185.07651	0.5
258.11005	0.7
285.24176	2.8
309.35477	0.4
391.22388	0.8
450.20102	0.4
450.29736	9.6
451.30020	0.4
468.30795	27.3
469.31195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.5
57.03434	9.3
57.06789	2.4
57.07071	37.5
67.05498	14.6
69.07072	6.2
70.16716	1.2
71.08620	23.5
79.05478	2.1
81.07047	13.9
81.33230	1.2
83.08608	7.4
85.10185	11.2
89.06054	1.2
93.07032	1.5
95.08598	18.3
97.10178	2.7
98.98457	44.9
107.08570	2.0
109.10145	8.4
116.99571	1.4
123.11695	4.1
136.99992	3.1
137.13199	1.7
140.23882	1.1
150.50603	1.2
151.07518	1.3
154.99747	2.6
155.01024	53.1
164.29663	1.2
211.03738	2.0
221.66612	1.4
229.04623	2.2
239.23660	5.5
277.66519	1.2
294.47580	1.3
313.27332	100.0
314.27649	2.2
381.21765	1.4
393.24240	2.2
417.91647	1.4
449.26398	13.9
467.37158	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1179
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.46006	0.6
53.44565	0.6
56.72349	0.6
64.94936	0.8
67.05315	1.5
67.05684	1.3
70.00906	3.5
70.06824	0.8
71.57709	0.6
79.05318	1.1
79.05703	0.9
81.03251	0.9
81.06850	1.4
81.07299	1.2
85.02750	0.8
91.05280	1.2
93.06842	1.6
95.04743	1.6
95.08419	1.2
95.87474	0.7
98.20841	1.1
105.06791	1.6
107.04752	1.3
107.08419	1.4
107.09029	0.8
109.06336	1.1
109.09955	1.1
112.27676	0.6
121.06293	0.9
123.04199	1.5
127.03721	0.7
131.08257	0.7
135.07863	0.8
137.02124	0.8
137.05684	4.3
137.09369	0.9
142.07434	0.7
143.08441	0.7
145.09804	0.8
147.04204	1.6
151.03728	1.3
153.01537	16.6
153.02867	1.6
159.04109	0.8
173.05835	0.8
179.03169	1.0
186.16685	0.7
203.03259	1.1
207.07878	0.8
223.07352	0.9
231.02591	1.1
234.06656	0.7
234.10353	0.7
235.07321	0.9
237.05295	1.4
251.06821	1.1
255.06381	1.3
257.04156	2.0
258.05106	3.6
262.05991	1.1
265.04675	1.8
267.06122	0.9
269.04495	0.9
269.80737	0.7
271.05685	2.2
272.06577	0.8
273.03662	0.9
280.07272	0.9
281.04453	0.8
283.05759	0.9
285.03665	0.8
286.04630	6.4
287.04926	1.5
288.05835	1.2
289.05731	0.7
293.04184	1.1
295.05841	1.3
297.03766	2.1
298.04385	1.4
299.05179	2.1
303.04721	4.0
310.04660	0.9
311.05472	21.6
312.05545	1.7
321.07336	0.8
323.05325	1.5
329.07956	1.1
331.09534	0.9
347.08896	2.3
348.09735	0.8
350.07748	0.8
357.07458	1.4
358.08102	2.2
359.09137	7.4
361.07144	3.3
363.08502	1.2
369.07376	1.3
375.08585	9.4
376.09326	5.2
385.06723	1.9
386.07779	5.8
387.08533	8.3
391.08124	2.0
392.08841	0.7
397.07092	1.3
403.08072	26.9
404.08823	5.2
413.06461	1.3
414.07248	3.1
415.08078	9.0
416.08643	1.8
419.07495	20.2
420.08325	12.8
421.08823	1.0
431.07617	8.6
432.08362	66.8
433.08597	3.7
435.10709	45.0
436.10992	2.2
447.10699	97.3
448.10950	5.2
465.11810	100.0
466.12057	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57987	2.0
53.03936	8.8
55.01850	6.4
55.05505	36.2
57.03204	2.0
57.03434	25.0
57.07076	3.1
65.03922	5.6
67.05498	98.6
68.05824	2.9
69.03417	7.3
69.07056	25.9
71.01351	4.9
71.04987	15.7
79.05484	81.5
81.03408	61.7
81.03868	4.1
81.06590	4.5
81.07047	68.3
83.04972	27.1
83.08612	27.2
85.02905	28.6
85.06536	6.3
91.04903	3.8
91.05470	67.1
93.07032	86.8
95.04956	100.0
95.05567	4.9
95.08598	26.7
97.02885	4.5
97.06512	22.2
97.10143	20.0
98.21538	4.4
99.04437	3.6
99.08079	3.0
101.89106	2.0
105.07019	35.5
107.04942	14.9
107.08578	45.6
109.06522	9.6
109.10154	18.3
111.04452	4.8
111.08067	14.3
113.06011	6.2
115.05450	3.8
115.66824	2.1
117.06982	17.2
119.08568	33.5
121.06503	9.5
121.10139	18.6
123.08054	8.3
123.11705	3.7
125.09575	7.4
128.06267	2.7
129.06970	14.5
131.08554	20.2
133.06473	3.5
133.10115	25.2
135.08037	8.6
135.11678	58.1
137.09578	4.0
142.07773	3.1
143.08528	5.2
145.06566	2.5
145.10124	17.3
147.08031	5.0
147.11652	13.8
149.09619	8.4
149.13246	5.8
151.11143	4.7
153.12849	3.0
157.10074	13.8
159.11658	11.0
161.09592	3.3
163.11183	17.6
165.12721	3.7
173.11780	2.6
175.11148	15.5
177.12724	6.9
181.12262	8.1
187.11098	13.5
189.11198	3.4
193.12209	57.7
193.13882	3.8
205.12253	8.0
211.13255	67.1
219.13747	4.2
223.13213	14.1
242.05969	2.7
247.13329	2.3
255.15848	7.7
257.04498	11.6
258.05106	3.7
267.15897	6.9
269.17361	2.4
286.04645	5.7
287.05560	6.2
288.05872	4.3
289.05988	6.4
303.04913	24.0
329.21179	5.6
345.24335	2.7
355.22614	12.6
373.23685	29.2
374.77713	2.2
421.25555	3.1
447.27496	14.2
465.11945	21.4
465.28470	84.2
466.12173	3.5
466.28586	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	465.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.3
57.03427	3.6
65.76894	3.1
67.05495	35.0
69.07062	17.5
69.82860	9.3
69.83275	9.4
75.13857	2.8
79.05482	34.6
81.03386	4.7
81.07048	43.9
82.07384	3.9
83.04967	8.6
83.08585	14.7
85.06568	4.5
89.03915	5.5
91.05490	28.0
91.62123	3.2
93.07043	44.5
94.07352	3.6
95.04957	8.2
95.08615	16.6
97.06520	7.0
98.98477	5.9
99.08073	4.8
105.07005	18.8
107.08585	19.2
108.77746	3.1
109.06505	5.5
109.10137	13.4
111.08103	3.4
117.03340	12.9
119.04984	3.1
119.08550	11.8
121.10131	31.4
123.08012	3.7
125.09618	4.0
131.08563	8.5
133.10098	18.1
135.04401	17.3
135.11694	11.7
137.09592	7.2
145.02873	10.6
145.10156	5.6
147.04430	3.3
147.11694	7.7
149.09653	5.8
149.13240	6.5
151.11157	9.2
157.10120	3.9
163.03912	81.7
164.26399	3.4
167.10497	3.9
181.04941	10.6
213.16408	7.5
231.17398	7.4
249.18478	100.0
253.14441	6.0
267.19553	11.7
282.67532	4.1
293.20987	16.5
303.04977	3.6
367.24756	9.7
380.35080	3.7
393.08478	4.5
465.29382	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	465.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.61195	0.4
55.01866	6.7
55.05503	2.7
56.05037	1.9
56.96547	0.7
57.03428	3.5
59.04991	0.5
60.04515	0.5
60.50412	0.4
61.02924	4.4
65.03944	0.5
67.05513	0.8
68.05022	0.4
68.64185	0.4
69.03422	12.3
69.45812	3.2
69.46225	0.9
70.06586	4.0
71.01384	0.5
71.04985	41.9
71.35632	0.4
72.04512	0.4
73.02902	2.2
74.06091	0.5
79.05498	0.5
80.04999	1.0
81.03412	4.6
82.06571	1.4
84.04509	1.5
84.08132	1.3
85.02896	16.2
86.06048	0.8
87.04449	2.2
88.07603	1.4
91.03960	0.8
91.05456	0.6
92.04996	1.2
93.03400	0.5
94.06554	1.6
95.04944	1.6
96.04477	1.2
97.02884	9.2
97.06517	1.1
98.06044	70.7
98.97570	1.4
99.04443	40.0
101.00845	0.6
108.04500	0.5
109.02914	2.2
109.05235	0.4
109.06490	0.8
110.06033	4.2
111.04410	0.6
112.07600	2.1
112.36238	0.4
114.05522	1.2
115.08681	2.6
115.58840	0.4
116.07079	30.9
116.98579	0.8
117.05499	0.9
118.06525	0.6
119.01835	0.6
119.41640	0.4
120.04392	0.5
120.08080	1.0
121.02762	0.5
122.05989	0.5
123.04484	0.4
124.03901	0.5
124.07571	2.0
125.05974	2.0
126.05501	1.3
126.09145	0.9
127.03911	2.6
128.98621	0.4
130.06516	1.0
131.01929	0.8
131.04971	0.6
132.08087	0.8
134.06024	1.0
134.99684	0.5
135.04408	1.7
136.07574	1.5
137.04678	0.6
137.05991	0.9
138.05479	8.1
139.03912	0.6
140.07037	7.2
141.06581	1.2
142.08626	4.2
143.01877	0.6
144.08040	1.0
145.04939	0.7
146.06039	1.2
146.09579	0.6
146.99661	0.4
148.07552	4.7
150.05505	0.9
150.09142	0.6
152.07056	6.9
154.08617	1.9
155.01891	0.9
156.06514	0.9
157.09698	2.3
158.06088	0.6
160.07533	0.6
161.02950	1.1
162.05470	1.7
162.09131	2.3
163.06282	1.1
164.07028	1.8
164.10747	0.5
166.08633	1.3
168.10193	0.6
170.08121	2.5
172.07536	1.1
174.05450	0.6
174.07745	0.7
175.06194	0.4
176.07053	20.7
177.07759	1.3
178.08603	4.6
180.10199	1.5
186.11276	1.7
187.04477	0.6
188.07335	0.6
188.09157	12.8
189.07938	0.6
190.08624	7.5
192.06509	1.0
192.10123	2.4
194.08104	2.1
200.07001	2.5
203.13860	2.3
203.78036	0.5
204.06573	1.8
204.10295	0.5
205.07291	0.5
206.08110	1.7
207.11124	0.5
208.09715	2.6
210.11247	0.8
212.09187	0.6
217.09657	0.5
218.08105	13.4
219.01613	0.6
219.08846	1.1
220.09659	2.5
221.05037	1.1
222.11270	0.7
225.12363	0.6
229.11710	0.5
232.09625	1.0
235.08424	2.1
235.10724	25.4
236.09134	2.3
237.02855	0.9
238.10748	6.8
245.05110	1.1
249.12340	0.6
250.10719	16.6
257.14984	1.4
259.06607	0.9
267.13474	1.9
268.11813	1.9
272.56668	0.5
275.05109	0.4
285.14423	5.9
286.12827	1.4
291.09225	0.7
301.07928	0.5
303.15466	100.0
304.15982	1.9
319.08875	0.5
384.07834	0.5
429.18591	1.1
447.19678	1.8
465.20770	80.0
466.21426	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03917	0.9
54.15884	0.4
55.01851	1.2
57.03413	0.6
58.34227	0.4
61.02904	1.2
68.99777	0.7
69.03420	2.9
70.06413	1.1
70.06739	0.5
71.04974	0.5
73.02917	0.4
81.03399	1.9
82.46295	0.4
84.08102	0.6
85.02901	10.1
86.04219	0.5
86.09683	0.8
87.04400	0.4
91.03963	0.5
97.02887	4.1
98.09805	0.4
98.15092	0.4
107.04993	0.5
109.02847	1.4
111.00766	0.9
120.08084	1.1
121.02888	1.2
123.04395	0.6
127.03886	1.6
129.90932	0.5
135.04419	0.7
137.02324	5.5
145.04927	1.4
149.02344	0.7
153.01805	5.1
163.03844	1.4
165.01801	3.2
166.02605	0.6
183.02893	1.1
195.02945	0.5
201.05461	2.4
229.04927	4.9
234.17131	0.5
247.05971	0.8
257.04465	4.2
270.04956	0.5
271.06085	0.9
274.04703	0.9
285.04019	1.1
287.05557	0.9
288.05777	0.8
289.05923	0.7
299.05466	0.6
301.07034	0.8
302.04337	1.1
303.04959	100.0
304.05200	3.1
309.73529	0.5
315.04956	4.2
327.04843	1.2
345.06055	3.6
355.08401	0.7
369.06104	1.0
399.07101	0.9
411.06699	0.5
429.08148	1.4
447.09210	1.8
447.84610	0.5
465.10217	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1175
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
52.55245	0.3
53.03914	0.3
55.01825	0.3
55.05492	0.7
57.03408	0.5
67.01858	0.3
67.05504	2.1
67.91331	0.3
68.99776	0.4
69.03390	0.3
69.07030	1.0
69.21121	0.3
70.87886	0.9
79.05487	2.0
81.03376	1.0
81.07051	2.1
83.04943	0.6
83.08632	0.4
85.02878	0.3
89.03916	0.4
91.05479	3.3
93.07032	1.8
95.04972	2.3
95.08563	0.9
97.06451	0.3
102.04644	1.3
103.05424	0.6
105.07034	1.7
105.10352	0.3
107.04968	0.5
107.08559	1.1
109.06500	0.6
109.10094	0.6
110.03640	0.7
111.04367	0.3
117.06986	0.8
118.04082	0.6
119.04932	1.8
119.08548	0.9
121.06474	0.6
121.10118	0.5
123.04361	0.3
124.05176	0.4
125.05913	0.5
126.50842	0.3
130.04144	1.4
130.26552	0.3
131.04868	0.4
131.08487	0.4
133.06430	0.4
133.10091	0.9
135.04341	0.9
135.11647	1.0
136.05191	1.5
137.02299	0.6
137.05930	1.2
139.31943	0.3
145.02824	0.5
145.10112	0.5
146.03621	3.4
147.04425	2.6
147.11613	0.4
148.05176	4.1
153.01830	5.2
154.02101	0.3
157.10089	0.3
159.11652	0.6
161.05968	3.3
162.06696	1.2
162.70425	0.3
163.03854	1.0
163.11235	0.4
173.06113	0.3
185.09680	0.3
187.11127	0.4
193.12204	0.4
203.03354	4.7
204.79550	0.3
211.13248	0.9
223.13197	0.6
229.04927	5.6
241.04897	0.9
242.05727	12.5
253.04990	3.2
255.06470	0.5
257.04425	53.1
258.05209	19.6
259.05618	0.6
269.04456	1.9
270.05212	1.9
271.05972	1.3
283.05869	0.6
285.03922	8.6
286.04694	32.9
287.05463	17.6
288.05634	0.8
289.06158	0.3
295.05975	0.6
297.00568	0.4
297.03928	5.6
299.05417	1.8
303.04929	0.8
327.04987	2.4
341.06622	1.6
345.07864	0.4
359.09024	0.4
368.06308	0.5
373.07117	1.0
373.23737	0.8
375.08890	0.7
387.08682	0.8
389.06644	0.9
391.07840	0.5
403.08011	1.5
414.07428	0.4
415.08075	0.8
432.08310	2.6
435.10699	4.7
447.10693	15.9
447.27603	0.4
448.11057	0.6
465.11780	100.0
466.12155	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	465.1176
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.45322	0.2
53.03926	0.3
55.01865	0.3
55.05470	1.0
57.03419	0.4
66.00110	0.3
67.05499	3.2
68.99767	0.3
69.07036	0.8
69.66386	0.8
69.66797	1.3
79.05483	2.2
81.03374	1.2
81.07043	2.4
83.04928	0.6
83.08583	0.6
85.02856	0.6
85.06512	0.3
89.03893	0.4
91.05469	3.4
93.07029	2.5
94.54131	0.3
95.04958	1.6
95.08559	1.1
97.06476	0.6
97.10127	0.4
98.21552	0.6
102.55450	0.3
105.06988	1.6
107.04919	0.7
107.08607	1.9
109.06461	0.6
109.10116	0.8
110.03599	0.4
111.00809	0.3
117.06964	0.7
119.04869	0.7
119.08542	1.3
121.06513	0.3
121.10099	1.0
123.04359	1.3
129.06932	0.5
131.04884	1.0
131.08516	0.8
133.10068	1.3
134.04970	0.3
135.04352	0.7
135.11655	1.1
136.05168	1.0
137.05968	0.3
138.06699	0.6
139.03867	0.3
145.10101	0.7
146.03610	0.4
147.04352	1.0
147.11633	0.7
148.05075	0.7
149.05954	0.4
149.09520	0.4
151.11119	0.4
153.01796	2.5
157.09993	0.4
159.11626	0.3
161.05908	0.7
161.09595	0.3
163.11119	0.6
166.06165	0.7
171.11662	0.4
175.11165	0.5
181.12183	0.3
193.12195	0.7
201.05310	0.5
203.03365	8.4
211.13310	0.4
213.05437	0.5
229.04927	6.2
241.04930	1.3
242.05676	3.6
253.04839	0.6
257.04407	95.2
258.05038	5.5
269.04352	0.6
270.05240	0.7
271.05881	0.7
285.03876	4.8
286.04688	8.3
287.05447	8.9
288.05777	0.7
289.05930	1.0
295.05811	0.7
297.03909	6.9
299.05399	0.6
303.04901	1.3
315.04843	0.4
327.04883	0.7
345.07452	0.3
373.06760	0.5
375.08612	1.1
391.07944	1.1
403.08099	2.0
419.07492	0.4
432.08270	0.8
435.10678	5.7
447.10684	2.3
447.27286	0.7
465.11749	100.0
465.28189	2.1
466.12167	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	465.1025
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	1.8
57.03426	2.1
61.02926	1.5
65.84180	1.0
66.54028	1.0
68.99778	1.7
69.03419	2.5
69.67377	1.0
70.97440	1.3
70.97771	1.4
81.03405	3.7
85.02899	7.7
85.16061	1.0
86.09673	1.2
89.21661	0.8
91.05443	1.2
93.03397	1.6
97.02867	2.0
109.02872	3.4
121.02853	2.6
123.04399	3.5
127.03908	2.8
132.77858	1.1
135.04362	1.2
136.07504	2.1
137.02335	42.8
137.03398	2.7
147.04315	1.1
149.02321	3.4
150.03130	1.3
151.03947	1.7
153.01817	3.6
153.95950	1.0
161.02368	2.6
163.03906	7.1
164.07083	1.6
165.01820	7.5
167.03354	2.1
173.06018	1.8
175.03960	1.1
177.01857	2.3
179.03435	2.6
183.02884	2.9
185.05991	1.2
187.03908	2.0
189.01891	1.6
189.05467	3.2
191.03352	1.8
195.02863	5.0
197.05991	2.6
201.05447	2.7
203.03398	2.2
205.04955	1.9
207.02866	1.1
213.05431	1.5
215.03214	1.1
215.07068	1.0
217.04938	3.1
219.02957	1.9
225.05475	1.9
228.04170	1.3
229.04945	3.7
239.06816	1.1
241.04904	2.7
243.02931	2.4
243.06659	1.2
245.04477	3.4
253.04991	1.7
257.04459	4.4
259.05997	3.4
261.03888	3.4
271.06021	2.3
274.04666	1.0
275.05475	2.3
281.04486	1.9
285.04068	1.5
287.05554	3.1
288.06241	2.7
298.04626	1.6
299.05490	11.3
301.03372	2.9
302.04114	11.4
303.04947	33.4
311.05359	1.5
315.04941	94.0
316.05673	13.7
317.06628	1.4
323.05463	1.2
327.04941	29.3
328.05450	1.1
329.06503	10.1
339.04947	5.1
339.55228	1.2
341.06534	5.9
343.04529	3.0
345.06018	100.0
346.06354	3.8
355.04425	1.3
355.08194	9.8
357.06140	3.3
359.07306	1.2
365.06281	1.6
369.06030	26.5
370.06119	1.1
375.07181	6.6
381.06061	2.3
383.07568	4.0
387.06818	1.2
393.06021	2.5
399.06982	9.6
411.07071	11.4
429.08167	27.9
447.09155	50.2
448.09372	1.9
465.10251	90.0
466.10559	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
54.56745	2.8
63.92557	2.5
68.99775	2.9
70.30049	2.7
70.92350	2.5
71.27546	4.3
71.51159	2.5
76.04459	2.5
77.66947	2.4
81.03360	3.5
83.01311	5.9
85.02898	10.3
97.02906	3.2
109.02872	4.8
110.02457	2.4
120.08070	4.1
121.02827	3.0
127.03863	3.2
135.04382	5.6
136.94044	2.4
137.02333	56.0
137.03398	3.1
151.03851	4.5
153.01808	5.6
163.03835	3.2
165.01796	7.9
169.01314	6.4
175.03891	4.2
177.01730	2.9
179.03352	5.3
181.01350	16.4
182.01978	3.6
183.02881	5.6
186.01549	4.0
189.01733	3.2
195.02844	4.9
199.02385	14.5
205.01254	2.9
206.99448	2.6
208.67134	2.5
211.02324	10.1
219.02814	3.3
221.04451	5.9
225.05392	3.9
229.04976	4.1
233.04503	3.5
241.04839	3.2
255.06548	3.5
257.04474	5.9
261.03827	3.1
269.04279	4.7
271.06131	11.8
277.03482	3.1
285.04153	3.2
287.05417	8.6
299.05496	13.5
301.07062	7.4
302.04202	31.0
303.04959	100.0
311.05518	3.6
315.04977	88.4
316.05737	23.2
317.06186	5.5
323.05524	3.6
327.01361	4.5
327.04941	24.1
329.06442	10.0
341.06476	8.7
345.06024	93.4
353.06442	4.5
355.08102	10.3
357.05969	3.6
369.06064	24.9
381.05991	9.2
383.07565	4.6
393.05927	3.8
394.41660	2.5
399.07031	21.8
401.08914	3.4
403.10852	4.2
411.07080	18.3
419.10110	3.4
421.11133	5.9
429.08163	37.8
447.09125	44.1
448.09656	3.0
465.10242	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	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03933	0.8
55.01850	0.4
57.03413	0.8
61.02910	1.4
64.66998	0.3
68.99773	0.8
69.03419	3.3
69.88316	1.8
70.98299	0.3
71.05013	0.4
81.03408	2.0
85.02898	9.6
87.04451	0.4
91.03945	0.4
97.02879	2.9
99.04462	0.4
104.83075	0.4
109.02874	1.2
111.00782	0.7
111.21719	0.3
121.02839	1.0
127.03919	1.5
137.02319	4.2
145.04936	1.4
149.02307	0.4
153.01822	4.4
155.04842	0.3
163.03894	0.7
165.01826	2.5
173.06024	0.5
183.02934	0.7
201.05453	2.0
228.04240	0.5
229.04913	4.5
247.05844	0.5
257.04337	2.7
274.04834	0.4
285.03946	0.8
287.05630	0.4
289.05957	0.5
303.04959	100.0
304.05222	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	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01866	0.1
65.03939	0.2
67.01837	0.1
68.99778	0.9
69.03412	0.2
69.98688	0.1
69.99079	0.2
70.06569	0.2
71.01302	0.1
72.25486	0.1
74.09711	0.1
75.43025	0.1
77.73110	0.1
81.03400	0.3
84.08131	0.2
85.02892	0.3
86.09681	0.1
87.39845	0.1
88.95109	0.1
93.03385	0.3
95.04950	0.3
97.02899	0.1
103.05421	0.1
105.03395	0.1
107.04919	0.1
109.02847	0.7
110.07156	0.1
111.00792	1.0
111.04413	0.1
113.16510	0.1
115.05428	0.1
117.06989	0.1
117.96560	0.1
121.02853	1.4
123.04432	0.6
127.03901	0.3
129.06851	0.1
131.04922	0.2
133.06454	0.1
135.04379	0.3
137.02324	4.3
137.03363	0.2
137.05891	0.1
139.03944	0.1
140.45500	0.1
145.06432	0.3
149.02319	0.6
150.03044	0.1
153.01807	5.6
154.02136	0.1
155.04855	0.3
157.06479	0.1
159.04361	0.1
161.05968	0.3
163.03903	0.8
165.01817	2.5
166.02608	0.4
173.05960	0.6
177.05351	0.1
179.03395	0.2
183.02872	1.2
183.04413	0.5
185.05994	0.1
187.03889	0.6
191.03397	0.3
193.05104	0.1
193.79019	0.1
195.02895	0.3
201.05447	2.6
205.01299	0.1
205.04939	0.3
207.02881	0.2
211.03940	0.1
213.05400	0.1
215.03421	0.1
219.02893	0.2
219.06522	0.5
228.04156	0.4
229.04939	5.7
230.05136	0.1
232.03784	0.1
239.03581	0.1
245.04272	0.1
246.05249	0.1
247.05975	0.9
257.04410	3.5
267.02985	0.1
274.04721	1.0
275.05377	0.3
282.44208	0.1
285.03925	1.6
285.95523	0.1
286.04443	0.2
287.05429	0.1
302.03873	0.1
303.04941	100.0
304.05292	2.0
315.04852	0.1
345.05743	0.1
407.40182	0.1
447.09033	0.1
465.10028	0.6
480.11761	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.3
57.07069	29.3
67.05496	7.4
69.03419	2.4
69.07057	21.8
69.48125	14.1
71.08624	23.8
72.10827	2.0
79.05479	5.5
81.07049	22.6
83.08622	12.2
85.10172	11.0
85.57998	1.7
91.05466	2.6
93.07039	9.4
95.08595	15.1
97.06509	2.4
97.10167	8.6
99.04433	4.3
105.07010	6.8
107.04948	2.2
107.08582	6.0
109.06499	15.5
109.10136	7.0
111.08093	2.6
111.11707	4.5
119.08567	2.3
121.10165	3.6
123.08061	12.5
123.11742	3.8
125.05985	18.1
125.09618	3.8
127.07542	35.5
131.08521	2.7
135.08043	4.0
135.59676	2.1
137.05978	4.8
137.09610	5.5
139.07523	100.0
149.05984	2.3
151.07535	6.2
151.11142	2.2
153.09042	2.4
161.09668	2.6
161.13260	3.6
163.07515	2.5
163.11249	2.9
164.38242	2.0
167.07045	5.9
177.09113	10.8
203.14354	2.3
301.28687	3.6
319.29880	9.3
347.33002	12.2
399.36356	3.6
403.35440	4.6
417.37277	14.9
445.36716	42.2
463.37741	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3775
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03937	1.2
54.56443	0.8
55.01839	1.1
55.05508	13.4
57.06791	1.6
57.07067	31.2
62.39967	1.0
67.05485	7.0
69.03432	1.1
69.07059	19.4
69.87032	2.7
69.87438	1.9
71.08625	24.2
79.05478	5.7
81.06592	1.3
81.07044	18.2
83.04989	1.2
83.08602	11.5
85.02920	1.1
85.10169	16.4
91.05470	4.0
92.63225	1.0
93.07045	6.4
95.04979	2.0
95.08593	15.2
97.02843	1.1
97.06502	2.8
97.10159	8.6
99.04433	4.4
99.11697	1.0
105.07001	5.9
107.04939	2.7
107.08600	4.9
109.06499	12.8
109.07176	1.3
109.10137	7.1
111.08047	2.5
111.11680	5.1
119.08580	4.2
121.06487	1.8
121.10105	4.1
123.08042	11.4
123.11676	3.5
125.05980	13.6
125.09625	1.8
125.13202	1.2
127.07530	43.1
131.08594	2.4
133.10121	2.4
135.08025	2.6
135.11673	1.9
137.05963	3.4
137.09590	2.4
137.13281	1.2
139.07521	100.0
145.10083	2.3
147.08003	1.3
147.11662	2.1
149.05969	3.9
149.09596	2.2
149.13290	1.2
151.07510	5.7
151.11143	0.8
153.09105	1.2
159.11655	1.7
161.09564	1.5
161.13220	1.5
163.07529	2.8
163.11266	1.1
163.14816	1.2
165.09135	3.1
167.06992	5.1
169.08635	1.6
171.11720	0.8
173.09651	1.1
175.11122	1.5
175.14771	2.0
177.09087	12.9
179.10646	1.0
189.12767	1.2
191.14255	1.1
203.14363	1.3
301.28864	4.0
319.29901	10.4
333.68219	0.8
347.33090	17.5
351.78162	1.0
373.30786	4.9
380.78644	1.1
389.37640	1.0
399.36206	1.8
403.35962	2.0
417.37164	18.0
427.35522	2.5
445.36694	39.0
446.36911	1.3
463.37805	26.2
464.37888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16124	1.8
57.03429	20.4
59.04984	5.7
60.04512	5.4
61.02908	2.4
64.75352	1.9
69.03423	87.7
70.06573	6.1
71.05006	2.6
72.08148	2.4
73.02921	3.7
75.04472	2.5
79.05460	2.3
81.03413	5.6
85.02898	57.1
86.09718	2.5
87.04457	53.1
95.05022	2.4
97.02880	62.6
99.04429	3.5
107.04928	8.2
109.02861	3.3
111.04403	3.0
115.03915	83.5
117.03354	1.9
123.04444	3.1
127.03888	10.2
131.04886	21.2
133.04950	100.0
138.28284	2.1
139.03925	4.9
145.02882	2.6
145.04930	12.6
149.05995	8.1
150.07605	27.6
153.01791	2.6
153.05457	4.4
161.66866	2.3
162.07755	2.2
163.03999	3.9
163.06001	3.3
177.05418	11.4
180.08716	3.6
189.05472	4.9
211.05945	2.5
219.06458	2.5
219.34843	2.2
231.06496	3.4
259.08072	4.3
287.05365	5.5
288.05789	17.9
303.04758	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	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01870	5.9
55.05264	3.5
55.05507	36.4
57.03425	10.7
57.07064	5.1
65.03940	5.0
67.05499	100.0
69.07063	35.6
71.04977	6.6
71.13167	3.6
71.13528	5.2
79.05486	69.5
81.03399	3.1
81.07050	97.8
81.07534	5.1
83.04964	8.0
83.08606	16.9
85.06545	4.4
91.05473	87.8
93.07037	84.8
95.04957	17.4
95.08002	2.5
95.08600	49.7
97.06515	16.2
97.10171	5.7
99.08079	3.8
103.05425	3.8
105.04497	3.9
105.07021	70.8
107.04939	7.4
107.08587	36.0
109.06524	10.1
109.10138	18.7
110.03738	2.1
111.08088	8.3
115.05431	4.2
117.07011	39.4
119.08576	45.9
121.06494	10.6
121.10123	28.5
123.08067	4.8
123.11733	5.1
125.09638	6.0
128.06219	5.8
129.06987	22.5
131.04915	2.4
131.08551	59.3
133.06419	3.9
133.10117	33.7
135.08026	7.3
135.11679	11.3
139.11159	3.8
141.06992	8.0
143.08549	20.9
145.06453	5.0
145.10117	36.5
147.08038	6.7
147.11676	6.5
149.09578	9.0
149.13243	27.3
153.01814	4.6
155.08501	13.5
157.10080	14.5
159.08054	4.2
159.11671	22.2
161.09656	4.0
161.13287	3.0
167.08598	5.0
169.10156	11.4
171.11705	13.8
173.09616	4.3
173.13249	7.3
177.12729	7.1
181.10103	5.5
183.11678	5.7
185.09557	4.0
185.13245	6.4
187.11096	4.5
187.14833	3.5
189.12769	3.0
195.11708	6.9
195.13791	10.5
197.13307	7.8
199.14790	3.7
201.12723	3.1
202.04152	2.3
209.13303	3.7
211.14755	4.6
213.12769	3.2
213.16417	4.9
215.14363	3.8
223.14915	4.4
225.16373	4.2
227.14445	3.3
229.15791	2.9
233.15338	4.2
235.17027	2.6
237.16539	3.0
241.15916	3.9
247.16931	3.4
259.16867	2.6
261.18524	3.9
273.18442	2.7
287.05453	86.7
288.05740	7.9
325.25220	7.6
335.23596	12.0
343.26364	18.4
353.24695	44.7
371.25769	52.6
389.26883	49.5
427.28381	5.3
445.29498	72.1
463.08408	3.5
463.30539	72.8
464.30652	4.4
470.03491	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	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10106	3.7
53.03947	5.1
55.05494	9.4
57.03422	6.8
67.05498	19.5
69.52332	33.1
74.66395	3.6
79.05477	15.4
81.03407	100.0
81.07040	15.3
83.04958	7.2
83.08604	24.4
85.02919	7.9
91.05472	19.1
93.07027	10.5
95.04969	22.8
95.08578	7.9
97.10139	5.1
105.07011	17.3
107.04947	9.4
107.08569	9.9
109.06457	4.9
109.10096	4.5
111.08063	8.6
119.08555	10.7
121.06516	4.5
121.10116	10.5
123.81694	4.2
129.06946	8.8
131.08533	8.2
146.74194	4.9
147.04341	4.8
147.11656	11.8
149.09662	6.7
150.18208	4.2
154.59097	4.1
157.10078	10.0
175.11122	13.8
193.12221	91.1
211.13266	9.4
215.45206	3.9
267.15878	66.0
285.16980	40.4
287.05508	13.7
288.05829	39.8
309.16925	14.3
464.10107	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	463.3026
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05489	0.6
55.97919	0.5
67.05494	1.8
69.07056	0.5
71.52839	0.6
79.05470	1.2
81.03380	0.5
81.07030	1.7
83.01075	0.6
91.05459	0.8
93.07016	1.3
95.08595	1.2
95.74294	0.5
105.07012	0.9
107.08558	0.9
107.66422	0.4
111.04186	1.9
116.18176	0.5
121.10115	0.8
127.03632	3.4
131.08495	1.0
133.10115	0.5
153.01767	0.5
157.29147	0.5
171.06268	1.6
188.06509	0.6
199.09418	1.3
215.08952	0.5
287.05447	14.3
287.08484	1.0
288.05768	1.1
337.15994	2.4
371.25806	0.6
377.19351	2.7
445.29230	0.8
463.30252	100.0
464.30759	3.3
466.19626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
53.98891	1.9
55.01848	6.7
55.05506	30.8
57.03421	9.3
57.07065	2.6
59.04986	2.5
62.57012	2.0
65.03933	5.9
67.05499	85.3
69.03413	2.9
69.07058	28.4
70.71445	5.0
71.04975	6.8
71.08627	2.3
79.05485	63.0
81.03413	5.0
81.07045	81.7
83.04975	7.2
83.08608	13.6
85.06540	3.2
91.05466	83.1
93.07030	62.6
95.04958	12.7
95.08591	45.5
97.06511	9.4
97.10136	4.1
99.08080	2.7
103.05441	2.7
105.07018	69.1
107.04939	8.6
107.08575	31.2
109.06504	7.8
109.10146	15.6
111.08050	3.8
111.80506	2.1
115.05434	4.2
117.07003	40.3
119.08562	43.0
121.06479	12.1
121.10125	19.8
123.08075	6.0
123.11720	3.3
125.09606	4.7
128.06212	3.3
129.06982	24.8
131.07603	3.5
131.08553	55.5
133.06487	5.2
133.10103	27.1
135.04483	2.8
135.08020	6.7
135.11674	10.7
137.09561	2.7
141.06960	10.6
142.07733	3.5
143.08545	24.7
145.06445	4.6
145.10101	31.3
147.08041	8.2
147.11646	7.3
149.09596	5.3
149.13222	6.4
151.11182	3.1
153.01761	3.6
155.08527	14.7
157.10095	17.2
159.08058	4.9
159.11673	17.6
161.09605	5.7
161.13205	4.6
163.11205	2.1
167.08557	3.5
169.10068	10.7
170.10707	1.8
171.11690	11.6
173.09615	4.0
173.13239	6.5
175.14857	2.7
177.12810	3.0
181.10120	6.4
183.11681	9.3
185.09723	3.5
185.13226	7.2
187.11139	2.2
187.14789	4.9
195.11696	6.1
195.13708	3.6
197.13242	8.6
198.21600	2.0
199.14767	5.6
201.12772	3.1
209.13284	3.7
211.14795	7.0
213.12880	2.3
213.16493	2.5
221.15424	2.7
223.14807	3.4
225.16389	4.0
227.14253	3.4
231.13681	2.1
233.15353	4.1
237.16533	2.5
247.16866	4.4
257.18637	2.3
259.16788	5.0
287.05457	43.2
287.20154	2.9
288.05835	3.7
307.24097	3.2
325.25250	9.2
335.23712	14.5
343.26263	18.9
353.20563	2.9
353.24716	37.4
359.47491	2.4
371.25772	47.8
389.26810	45.8
427.28482	6.1
445.29446	100.0
446.29596	4.3
463.30493	51.7
464.30865	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	463.1227
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
67.01845	0.3
68.99789	0.4
69.03454	0.3
70.06567	0.3
85.02872	0.3
86.09683	0.4
89.03873	0.2
97.02876	0.3
100.11230	0.4
105.06982	0.2
111.04421	0.3
113.38914	0.2
122.47957	0.2
125.02340	0.3
135.04376	1.5
137.02338	0.6
137.05931	0.2
149.05974	0.2
151.03804	0.3
153.01808	3.1
161.02310	0.5
163.03760	0.3
165.01839	0.5
167.03403	0.7
171.02922	0.3
178.99768	0.6
193.01212	0.3
197.00803	1.5
206.99074	0.3
210.14873	0.3
213.05412	0.3
223.55975	0.3
229.04968	0.6
229.51878	0.3
231.06714	0.2
235.02220	0.3
241.04805	0.3
258.05206	14.0
259.05576	0.5
263.01807	0.3
269.04605	0.3
269.30066	0.3
281.02975	0.6
283.05676	0.3
286.04675	32.5
287.05453	48.8
288.05862	1.1
299.05417	0.3
301.07016	100.0
302.07355	2.1
316.15244	0.3
325.03333	0.4
357.06100	0.3
381.05200	0.3
417.07974	1.6
463.08142	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	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.9
53.03934	8.3
53.52048	1.8
55.01859	7.2
55.05509	35.9
57.03442	12.1
57.07052	3.7
59.04971	2.0
65.03922	7.4
67.05499	83.8
69.03400	1.9
69.07061	29.2
71.04993	6.0
79.05489	71.1
81.03424	3.6
81.07050	90.6
83.04968	7.5
83.08620	15.8
85.06541	4.1
91.05476	100.0
93.07036	73.4
95.04955	16.9
95.08596	48.4
97.06519	9.0
97.10145	5.5
99.08097	2.7
99.68274	2.1
103.05459	4.2
105.07023	85.6
107.04949	6.1
107.08578	32.8
109.06516	9.4
109.10151	16.8
111.08065	5.4
115.05438	4.9
116.06187	2.8
117.07006	42.0
119.08575	60.5
121.06522	10.8
121.10141	23.0
123.08071	5.1
123.11730	3.2
125.09610	3.1
128.06226	7.2
129.06987	28.2
130.07794	3.4
131.08548	69.2
133.06480	7.1
133.10114	32.5
135.08049	6.0
135.11708	13.0
137.09601	4.6
141.06972	8.8
142.07675	2.4
143.08557	27.6
144.09366	2.6
145.06487	4.5
145.10112	48.6
147.08057	6.8
147.11685	14.5
149.09598	7.6
149.13242	7.8
155.08563	15.5
157.06523	3.2
157.10117	23.6
159.08086	4.3
159.11702	22.8
161.09641	4.4
161.13235	6.0
163.11137	3.3
167.08574	5.3
169.10118	12.0
171.11673	15.4
173.09595	3.5
173.13261	7.5
175.11124	3.2
177.12675	3.5
181.10130	9.0
183.11688	10.5
185.13274	8.0
187.11172	5.4
187.14786	6.4
189.16380	2.3
193.12294	2.2
195.11743	9.3
195.13402	2.0
197.13228	10.5
199.11012	2.1
199.14841	4.9
201.12721	3.4
201.16406	2.3
205.15846	3.2
209.13214	6.4
211.14798	4.3
213.12781	5.0
213.16403	3.6
215.14302	3.0
215.17946	2.9
217.15747	2.4
221.15292	2.4
223.14804	6.2
225.16444	4.4
227.17903	2.0
229.15967	2.1
233.15433	3.2
235.14764	3.6
235.16864	3.3
237.16446	3.9
241.15897	3.7
245.15450	2.7
247.16956	5.8
255.17383	5.2
259.16916	6.2
261.18515	3.3
273.18549	7.3
273.80475	2.1
287.05447	42.2
288.05807	3.6
325.25211	11.6
335.23581	12.4
343.26157	22.0
353.24707	57.2
364.85382	2.5
371.25754	61.6
389.21887	4.0
389.26819	64.5
427.28348	7.3
435.30557	2.5
445.29449	85.1
445.35611	4.6
463.30481	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01865	0.7
55.05512	1.0
57.03422	0.9
61.02917	1.1
67.01852	0.7
69.03417	3.5
69.70433	0.6
69.70860	0.9
70.06584	0.7
71.01357	0.2
71.04977	0.3
72.08152	0.2
73.02922	0.3
74.43154	0.2
81.03423	1.9
83.04942	0.3
83.08624	0.5
85.02895	7.5
86.09708	0.6
87.04438	0.3
89.03935	0.3
91.03943	0.5
95.04982	0.3
97.02882	2.6
99.04430	0.7
100.07607	0.3
100.11237	3.5
101.11555	0.4
105.03383	1.3
105.95258	0.2
107.04920	0.7
109.02851	0.9
111.04421	1.0
121.06461	0.3
123.04421	0.8
125.02367	0.3
127.03863	1.6
128.06223	0.2
129.03354	0.6
135.04384	1.6
137.02278	0.6
139.05423	0.2
145.04938	0.8
150.03142	0.3
151.03871	0.4
153.01817	2.2
155.05017	0.2
161.02322	2.7
163.03891	2.6
167.03384	13.9
168.05658	0.4
171.04410	0.3
171.08035	0.5
175.03894	0.5
175.07489	0.4
177.05484	0.4
179.03430	0.5
182.15393	1.0
184.05186	0.7
185.05962	0.5
189.09041	0.5
197.04388	0.3
199.07500	1.1
203.03372	0.4
203.07034	0.6
205.04877	0.3
209.16469	0.6
210.14885	1.4
211.07420	0.3
211.15381	0.3
212.04613	0.8
213.05518	0.3
217.08614	1.2
227.06966	2.7
227.17561	0.4
230.05757	1.0
231.06509	0.8
240.04190	1.5
241.04829	0.4
245.08080	6.5
255.06477	6.4
258.05255	0.8
268.03625	0.6
269.04468	0.3
273.07581	1.6
283.05951	2.3
286.04642	1.3
287.05469	42.5
288.05737	1.2
301.07025	100.0
302.07370	1.3
315.05051	0.2
340.76065	0.3
343.30688	0.5
389.81274	0.4
390.31467	0.7
453.34808	0.3
463.08600	1.1
463.15240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
55.01843	0.8
65.03931	0.5
67.05439	0.8
68.99779	0.7
69.03419	0.4
72.98650	0.4
77.81565	0.4
79.01849	2.7
79.05447	0.8
81.03365	1.5
85.02845	1.4
91.05421	0.5
93.03393	0.7
96.32457	0.5
97.02827	0.5
105.03368	0.6
105.06965	1.1
107.04916	0.7
107.08541	0.6
109.02850	0.7
114.89357	0.4
122.02645	0.7
124.05151	0.5
135.04404	3.2
137.02322	15.5
137.03372	0.8
137.74797	0.5
141.33186	0.4
147.04335	0.4
151.03845	1.3
152.04620	1.2
153.01785	2.1
161.02309	4.8
161.05966	0.7
163.03864	1.4
167.03409	3.3
173.05940	1.1
175.03828	0.8
175.07474	0.5
177.05385	1.5
179.03392	8.3
181.04874	1.5
185.05923	0.7
186.91125	0.5
191.03323	1.4
191.07033	0.8
193.04918	1.2
197.04472	2.2
199.07436	0.7
201.05470	2.0
203.03365	0.9
203.07091	0.8
205.04857	1.1
206.92087	0.4
209.04388	0.6
213.05350	1.1
219.02582	0.5
219.06474	1.0
229.04904	3.5
231.06493	4.0
233.04372	0.8
241.04892	0.7
241.08539	0.9
243.06419	1.2
244.09578	1.1
247.06042	0.5
249.07542	0.9
255.06303	0.5
257.04495	3.7
269.08084	0.6
271.05893	1.7
272.06662	0.6
273.07526	1.4
275.05447	3.3
285.07428	3.6
286.04926	0.7
286.08240	3.9
287.05475	39.7
288.05847	1.2
292.07056	0.5
297.07526	1.9
298.08295	0.9
299.05447	3.4
300.06216	1.8
301.07016	7.4
309.07495	1.4
310.08298	0.8
311.05392	1.6
313.07022	100.0
314.07776	38.4
315.08514	3.6
324.06473	0.5
325.07040	20.6
327.08594	20.0
327.12073	0.7
328.08997	0.6
333.08060	0.5
337.06982	1.4
338.07758	3.6
339.08621	5.9
341.06454	3.3
341.10028	0.7
343.08087	94.2
344.08466	2.5
351.08609	1.8
352.09296	0.5
353.06436	2.1
353.10162	23.4
354.10559	0.7
355.08115	5.2
357.09515	1.3
367.08109	22.4
368.08636	0.7
371.07706	0.5
373.09216	6.8
379.08139	1.7
381.09702	6.2
385.09195	1.6
397.09180	14.8
399.10556	0.8
409.09140	12.3
427.10214	38.0
428.10559	1.3
445.11264	66.4
446.11313	2.3
463.12357	63.0
464.12500	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	463.1228
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
59.93594	0.1
61.52590	0.2
65.05547	0.2
67.01729	0.4
67.56919	0.2
67.90314	0.2
68.99662	0.5
68.99987	0.2
70.06465	0.2
70.66012	0.6
75.69125	0.2
79.01701	0.2
81.03271	0.3
85.02716	0.6
86.09577	0.2
89.03810	0.2
96.71992	0.2
97.02763	0.2
105.03271	0.2
109.02734	0.2
123.04277	0.3
130.06383	0.3
131.70264	0.2
135.04222	1.7
137.02307	1.7
147.04222	0.2
149.05879	0.3
151.03882	2.3
151.04965	0.4
153.01804	4.7
161.02182	0.5
161.05800	0.2
163.03683	0.3
165.01746	0.4
167.03375	0.9
171.02716	0.7
171.04112	0.2
175.03745	0.5
177.01755	0.3
179.03236	0.5
183.02736	0.3
185.05804	0.3
189.05301	0.3
197.05676	0.2
213.05289	0.2
215.06866	0.2
217.04886	0.8
227.06929	0.3
229.04840	0.2
231.06421	0.2
241.04810	0.4
243.06380	0.9
244.07256	0.3
245.04245	0.2
255.06267	0.5
258.05145	0.3
259.05981	0.3
261.03833	0.6
269.04361	0.6
270.05225	0.3
271.05890	0.3
272.06711	0.9
273.07455	0.3
283.05850	0.3
284.06570	0.2
285.07605	0.6
286.04709	0.5
286.08310	0.6
286.11490	0.2
287.05457	100.0
288.05762	2.8
298.04648	2.5
299.05548	0.5
300.06299	1.3
301.07010	6.8
309.07526	0.3
310.04761	0.6
310.08414	0.6
311.05481	1.6
312.06210	1.7
313.07010	10.4
314.07806	3.7
314.11349	0.4
324.06335	0.5
325.07016	2.0
327.08560	2.3
328.05698	2.7
337.06863	0.3
338.07730	1.4
339.08643	0.3
340.05789	0.4
341.06650	0.3
343.08075	15.6
344.08560	0.2
352.05777	0.3
353.06265	0.3
353.10104	2.2
355.08136	0.5
367.08026	3.3
373.09052	1.5
379.08304	0.3
381.09824	0.8
385.09393	0.4
397.09134	2.0
409.09067	1.4
427.10181	5.6
445.11203	8.7
463.12732	11.9
464.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0867
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
67.01862	0.6
67.99500	0.0
68.99761	0.3
69.29675	0.5
70.06557	0.1
89.03884	0.2
107.04935	0.1
117.03345	0.2
123.40505	0.0
129.01822	0.2
135.03409	0.1
135.04405	1.8
135.05434	0.1
137.02312	0.5
147.33649	0.0
151.03871	0.1
153.01813	5.1
154.02191	0.1
157.06412	0.1
161.02330	0.5
171.02892	0.5
179.03421	0.4
185.05933	0.1
203.03349	0.1
212.94507	0.1
213.05423	0.1
219.06422	0.1
231.06430	0.1
241.04933	0.7
245.04294	0.1
259.05829	0.1
263.05475	0.1
269.04327	0.4
286.04630	0.1
287.05463	100.0
288.05792	2.2
301.07111	0.2
421.48074	0.1
463.08649	2.5
474.05344	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0865
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
58.81540	0.1
67.01832	0.6
68.99767	0.2
70.78352	0.2
70.78705	0.2
81.03408	0.1
85.02853	0.4
89.03897	0.2
100.83728	0.1
101.98499	0.1
117.03363	0.2
129.01817	0.2
135.04395	1.6
137.02304	0.4
137.43713	0.1
153.01807	5.3
161.02351	0.6
167.31834	0.1
171.02850	0.6
179.03336	0.4
185.05957	0.1
203.03378	0.2
241.04962	0.6
258.05295	0.3
259.06061	0.2
269.04376	0.7
286.04663	0.7
287.05450	100.0
288.05777	2.5
301.07028	1.3
379.19717	0.1
463.08636	16.6
464.08945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0865
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01828	0.2
62.47388	0.2
67.01836	0.2
68.99776	1.1
69.03427	0.3
69.21011	1.4
69.21442	0.9
70.06590	0.4
85.02895	0.4
89.03914	0.3
105.03368	1.4
105.07006	0.2
107.04943	0.6
111.00800	0.2
119.04979	0.3
121.02848	0.5
123.00761	0.3
123.04402	0.5
129.06950	0.5
130.28532	0.2
131.04913	0.4
133.02808	0.4
135.04398	0.8
144.75378	0.3
145.06427	0.2
149.02312	2.5
153.01807	15.3
154.02266	0.2
157.06476	0.5
161.02313	2.2
161.05925	0.3
163.03859	0.6
165.01801	0.5
167.03192	0.2
171.02911	0.4
171.04359	0.3
175.03902	0.8
175.07552	0.4
179.03233	0.3
185.05946	1.0
189.05376	0.6
191.03346	0.5
197.05954	0.8
199.03850	0.5
200.08116	0.2
203.03366	0.5
203.06940	1.4
209.04506	0.3
213.05421	3.6
216.04132	0.4
217.04941	1.7
231.06499	6.3
241.04919	8.7
242.05299	0.3
245.04192	0.4
258.05484	0.2
259.05966	1.9
269.04395	3.7
270.97958	0.2
285.04016	0.6
287.05453	100.0
288.05823	2.4
299.05664	0.3
301.06891	0.6
313.03323	0.7
313.06955	0.8
315.04782	1.4
339.05164	0.3
343.04422	0.9
343.08115	0.4
367.08163	0.4
377.44135	0.2
397.05280	0.2
445.07330	0.4
463.08701	0.9
475.40656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
55.01860	10.8
55.05508	54.7
57.03424	11.7
57.07054	4.5
65.03939	3.5
67.05499	83.2
69.07074	26.9
69.67983	3.7
69.86767	8.6
69.87182	12.2
71.04991	7.4
79.05489	82.0
81.03410	16.1
81.06587	6.2
81.07050	85.0
83.04971	11.2
83.08607	28.5
85.06526	6.1
91.05475	100.0
93.06482	5.3
93.07040	67.7
95.04958	34.4
95.08598	47.4
97.06520	14.2
97.10162	11.2
98.20818	5.2
100.81222	3.3
103.05449	6.1
105.07024	67.8
107.04943	15.9
107.08577	44.4
109.06493	9.9
109.10144	22.0
111.08080	7.2
113.08280	3.8
114.11515	3.5
115.05452	8.6
117.07019	46.5
119.08587	40.4
121.06465	12.5
121.10132	21.5
123.08089	3.4
125.09627	9.8
128.06226	11.1
129.06995	55.3
130.07751	4.6
131.08554	64.7
133.06485	11.0
133.10129	24.4
135.11641	20.6
139.11188	4.4
141.07018	17.4
142.07780	8.6
143.08545	35.7
145.06505	21.9
145.10100	29.6
147.08044	11.9
147.11697	18.3
149.09622	8.8
149.13260	5.9
153.07079	4.6
153.09111	3.8
154.07716	4.9
155.08556	25.9
157.10127	25.0
159.08035	12.1
159.11682	18.0
161.09608	7.2
161.13330	8.4
163.11142	8.3
165.07010	5.1
167.08565	12.3
169.10085	17.7
171.08089	7.0
171.11613	22.7
173.09653	4.6
175.11162	5.2
181.10097	15.9
183.11691	14.3
185.09700	3.8
185.13196	8.3
187.11261	5.4
187.14804	6.5
189.12787	5.2
193.10254	5.9
193.12193	6.8
195.11697	14.4
197.09396	4.0
197.13286	10.9
199.14810	5.9
207.11777	7.4
207.13748	8.0
209.13249	10.1
211.14891	4.9
213.12897	7.8
215.14310	10.3
217.15880	7.9
219.11728	3.6
221.13278	7.8
223.14941	8.0
225.12790	4.9
229.14059	4.6
233.15289	6.5
235.14799	6.5
239.14259	7.8
257.15411	8.2
259.16760	4.1
271.16891	4.3
323.23737	8.1
333.22165	11.3
341.24698	14.5
351.23230	44.9
369.24237	50.6
387.25195	25.6
415.28415	5.1
425.26730	9.5
443.27744	50.8
461.28989	85.8
462.29404	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.4
55.01859	4.6
55.05265	2.1
55.05505	23.1
56.48939	1.4
56.54418	1.4
57.03419	6.6
57.07065	1.5
63.33450	1.5
65.03938	3.9
65.28288	1.6
67.05132	2.8
67.05495	56.0
69.03433	3.6
69.07056	15.5
71.04974	4.5
78.50350	1.8
79.05486	47.9
80.39461	1.5
81.02925	2.9
81.03403	59.2
81.07043	54.1
81.07524	2.2
81.43730	1.3
83.04965	8.7
83.08603	20.4
83.16035	1.4
85.06541	4.1
91.05470	38.2
93.07026	48.3
95.04955	34.5
95.08601	22.3
97.02863	2.3
97.06506	9.7
97.10173	10.4
98.20766	2.8
99.08115	2.0
100.36268	1.6
101.54644	1.7
103.05453	1.7
105.04511	1.8
105.07014	24.2
105.30238	1.5
107.04933	13.0
107.08571	23.6
109.06524	5.8
109.10149	9.1
109.24536	1.8
110.24158	1.4
111.08078	9.5
115.05445	3.7
117.06994	12.5
119.04925	2.3
119.08553	19.2
119.71344	1.7
121.06516	7.8
121.10130	15.0
123.08041	3.1
123.11683	2.3
125.09641	4.4
129.07004	13.4
131.08536	18.5
133.06470	7.1
133.10086	8.7
135.08038	6.6
135.11632	10.8
137.05905	1.6
139.11165	1.7
141.07030	2.6
142.07748	2.5
143.08490	8.1
145.06464	6.8
145.10104	6.8
147.08020	5.1
147.11671	9.1
149.09607	6.4
149.13248	15.6
155.08572	2.1
157.10081	9.5
159.08023	3.1
159.11697	11.1
161.09651	1.7
163.11147	3.2
169.10162	2.4
171.11658	4.4
175.11185	7.3
177.12778	5.6
183.11864	1.5
185.13246	2.1
189.11206	4.7
193.12201	21.8
195.13751	2.7
199.11147	2.0
199.14850	3.9
201.12729	1.7
207.13728	3.5
215.14264	1.9
217.15895	4.0
227.12787	3.0
249.14833	4.8
273.18332	2.1
275.16650	1.9
314.05609	1.6
343.22510	5.2
351.22931	3.9
369.24295	9.4
387.25259	7.3
417.26440	7.1
443.27826	9.7
461.28925	100.0
461.36920	6.1
462.29193	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	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.0
57.05813	0.9
69.03417	1.3
71.52068	1.1
71.52424	0.8
71.83257	0.7
72.08150	100.0
85.02876	2.2
97.02905	1.5
118.08647	66.3
127.03935	2.2
136.07579	1.2
145.04961	1.8
164.55017	0.7
190.57111	0.7
225.70551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03948	3.3
55.01868	9.3
55.05511	6.4
56.05808	1.2
57.03426	3.2
65.03946	2.5
66.17629	1.0
67.05501	12.3
68.99782	2.3
69.03416	3.2
69.07056	3.3
71.04974	1.5
73.02926	1.2
77.03918	2.8
79.05484	17.2
80.05820	1.2
81.03410	14.2
81.07047	10.4
83.01335	1.5
83.04977	2.2
83.08601	3.7
85.02892	6.0
91.05474	15.3
92.05790	1.2
93.03391	3.4
93.07030	9.3
95.01295	2.1
95.04965	11.1
95.08609	6.3
97.02885	10.8
97.06520	2.2
97.10166	3.2
98.21514	2.6
103.05468	7.0
105.03400	5.6
105.07015	9.7
105.20653	1.1
107.04946	58.2
107.08580	4.6
108.05258	1.2
109.02877	14.6
109.06492	3.6
109.10133	3.1
111.04420	7.1
114.09117	1.2
115.05439	2.3
117.03307	1.2
117.07000	4.5
119.04949	11.5
119.08575	4.3
121.02853	9.7
121.06509	10.9
121.10155	2.6
122.06948	1.0
123.04420	100.0
124.04728	2.0
125.09611	3.3
127.03928	2.6
128.06187	1.3
129.06987	3.6
131.04907	8.5
131.08569	5.4
132.53806	1.1
133.02866	5.1
133.06488	4.3
133.10115	3.3
135.04402	54.2
135.08012	1.7
137.02338	6.1
139.03893	13.6
141.01788	1.7
143.04924	2.1
143.08542	3.9
145.02844	2.3
145.06485	4.9
145.10077	3.0
147.04399	20.2
147.08051	2.6
147.11673	2.2
149.02332	4.0
149.05963	10.7
151.03891	19.4
153.05484	2.5
153.09077	1.2
155.08611	1.6
157.10109	2.4
159.04427	7.8
159.08057	1.9
161.02371	5.7
161.05940	9.4
163.03882	4.8
163.11162	2.0
164.78572	1.1
165.01811	11.8
165.05481	1.4
165.09138	1.6
169.10181	1.2
171.04489	1.7
171.08038	1.3
171.11696	1.6
173.02315	1.6
173.05974	1.9
175.03883	10.1
175.11183	1.4
177.01820	10.8
177.05446	26.7
179.03371	4.4
181.04965	4.4
181.06384	1.4
181.13283	1.2
181.70026	1.1
183.02890	12.3
189.01848	3.3
189.05534	5.8
189.11209	2.7
191.03395	7.2
191.06967	2.1
193.04947	2.5
193.12354	1.7
195.02876	42.7
195.11732	1.2
197.05962	1.3
199.11256	1.4
201.05424	5.7
203.03377	19.9
205.04955	42.8
207.02872	16.3
211.03699	1.6
213.05376	1.4
215.03375	3.0
217.04901	10.0
217.15906	2.1
219.02917	6.6
221.00928	1.6
221.04402	16.7
223.02371	2.5
227.07047	2.1
229.04913	6.7
231.02863	50.4
232.03426	1.3
233.04480	3.9
235.05887	2.1
237.05643	1.8
239.06836	1.6
243.02838	7.2
245.04454	11.3
247.05963	12.1
249.03915	52.0
255.02908	2.6
255.06572	2.8
257.04419	4.8
261.03931	18.1
265.04761	1.9
265.07178	3.9
269.04553	1.8
271.06046	1.3
273.03906	20.4
281.07983	2.0
281.17517	2.2
282.15134	1.2
283.05927	12.0
291.04941	22.6
293.04654	2.1
299.05521	3.3
301.06903	1.3
303.05054	3.1
309.06451	4.4
311.05457	54.2
312.05591	1.6
317.06482	15.6
319.06052	1.4
327.07047	1.3
329.06537	37.5
337.06958	5.3
351.23083	2.3
355.08038	2.0
365.06570	12.4
368.23077	1.4
369.23953	4.7
377.06610	3.3
379.08081	2.0
383.07581	67.7
386.23856	1.6
387.25034	4.2
389.06406	2.4
395.07513	16.6
407.02872	1.2
407.07553	6.9
413.08658	13.6
425.08606	13.7
443.09607	13.4
443.27893	3.6
460.27780	2.8
461.10355	3.6
461.28830	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84299	1.7
52.58214	1.7
52.83687	1.7
53.03936	4.9
55.01856	8.0
55.05505	63.7
55.87194	1.7
57.03419	6.2
63.12600	1.9
64.10611	1.7
65.03934	3.4
67.05496	48.9
69.03428	3.4
69.07058	18.0
71.04985	2.0
79.05485	56.2
81.03403	5.9
81.07049	44.3
83.04975	7.1
83.08613	31.6
85.06525	3.6
91.05472	46.3
93.07029	25.3
95.04954	7.8
95.08604	13.8
97.06516	3.6
97.10163	51.4
98.20745	4.5
99.08054	2.2
103.05454	23.0
105.03352	3.2
105.07021	37.8
107.04940	8.4
107.08585	31.6
109.06514	6.8
109.10144	11.5
111.08053	5.8
115.05445	12.9
117.07005	59.0
119.08569	22.0
121.06497	4.7
121.10122	11.0
123.08037	2.1
125.09615	45.9
128.06204	7.0
129.06996	30.2
131.04901	4.7
131.08556	41.6
133.06432	10.5
133.10085	10.0
135.08044	10.3
135.11671	2.1
136.86740	1.9
141.06967	14.0
142.07756	2.4
142.81548	1.9
143.08540	16.8
143.10565	2.1
145.06493	17.4
145.10097	16.9
147.08037	8.6
149.09608	7.3
153.06970	2.4
153.09114	6.8
155.08531	18.5
157.06480	7.1
157.10110	10.6
159.08063	8.0
159.11665	5.3
159.80724	2.0
163.11218	2.5
166.80882	2.0
167.08554	8.3
169.10098	9.7
171.08110	5.0
171.11691	8.0
173.09631	3.3
173.13242	3.4
179.08708	2.5
181.10110	5.1
183.11691	4.4
185.09579	2.7
185.13226	3.6
187.14780	19.8
189.11206	29.3
195.11588	4.9
197.09512	2.4
197.13205	22.7
199.11148	4.5
201.12869	2.9
207.11661	2.6
209.13289	3.2
213.12752	8.3
215.14287	100.0
219.11530	2.2
223.11121	4.8
227.12701	36.7
227.14571	2.7
231.13651	2.3
233.15384	4.8
237.12779	2.7
241.12213	3.7
253.15976	2.8
255.13599	2.6
259.13306	4.2
269.15308	3.2
271.16925	5.2
273.14780	2.7
331.20819	3.0
339.23215	4.1
349.21625	15.9
357.24271	2.6
367.22650	40.1
385.23709	29.9
403.24722	8.2
423.25327	3.4
441.26373	60.1
459.27341	96.8
460.27695	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01865	7.3
55.05234	1.4
55.05507	26.2
57.03437	5.8
57.07072	1.0
65.03940	2.1
67.05498	36.0
69.03413	4.0
69.07069	6.7
71.04981	2.2
71.07665	3.3
79.05484	34.9
81.03413	79.0
81.06588	1.8
81.07048	29.5
82.03735	1.1
83.04972	8.3
83.08614	20.7
85.06507	1.6
88.21032	1.0
91.05471	31.8
93.07032	15.9
95.04957	28.3
95.08597	15.8
95.52662	1.2
97.02854	1.4
97.06535	3.7
97.10162	14.2
105.07023	26.8
107.04942	15.6
107.08593	12.2
109.06501	6.7
109.10147	7.5
111.04457	2.2
111.08061	8.0
115.05460	3.6
117.07000	10.7
119.04935	4.1
119.08566	15.9
121.06509	12.3
121.10130	6.1
121.34168	1.1
123.04427	2.8
123.08041	6.0
125.06081	1.1
125.09598	9.5
128.06207	3.1
129.06999	17.6
131.04897	5.2
131.08553	15.4
133.06451	7.2
133.10097	9.0
135.08025	5.1
135.11688	1.2
137.05898	1.4
137.09624	1.9
140.97829	1.1
141.06993	4.5
141.73596	1.0
142.07762	4.0
143.08531	7.1
144.05702	1.1
145.06467	22.9
145.10123	7.2
147.04422	1.5
147.08006	7.1
147.11674	8.8
149.09618	3.7
149.13213	0.9
151.11214	1.9
153.09131	2.8
155.08563	4.3
155.86765	1.0
157.06483	4.8
157.10115	12.1
158.07289	1.6
159.08034	5.4
159.11740	2.4
161.05984	4.4
161.09583	2.2
163.11107	2.1
165.12769	1.8
165.25108	1.0
167.08549	2.6
169.06464	1.9
169.10147	4.6
171.08015	6.5
171.11676	3.4
173.09573	2.3
173.13190	1.8
175.11166	9.2
177.12726	1.0
181.10182	2.2
183.08078	2.9
183.11670	1.2
183.28085	1.0
185.09616	4.1
185.13251	2.4
187.11131	2.2
189.09378	1.2
189.11211	6.1
189.12717	1.4
193.10435	1.5
193.12216	44.8
195.08037	1.6
195.11661	3.4
197.09566	1.8
197.13290	3.5
199.11098	2.5
203.14340	1.5
205.12248	1.6
209.13351	1.8
211.11134	2.8
213.12755	3.6
215.14359	3.6
221.13382	1.2
223.11168	1.8
225.12807	2.5
227.14288	3.8
231.13753	2.5
233.15417	3.2
237.12753	3.0
239.14368	2.2
243.13708	1.6
249.14803	5.0
253.09740	1.2
255.13805	5.7
257.15292	1.3
271.16998	1.6
273.14832	19.0
283.17059	2.1
287.16415	2.3
299.16492	2.1
321.22202	1.4
331.20496	1.8
339.23096	5.8
349.21600	16.7
357.24225	4.7
367.22653	43.6
368.23047	2.5
385.23703	34.2
386.23984	1.3
403.24759	8.2
405.24139	1.9
423.25211	2.5
441.26025	5.0
455.85181	1.1
459.27374	100.0
460.27783	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	459.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05502	0.4
56.05046	0.4
56.35672	0.3
65.03917	0.4
67.05490	0.4
69.03385	0.3
69.07029	0.4
70.06589	2.4
70.20797	0.3
70.99561	0.8
71.52737	0.5
72.08134	1.3
74.00650	0.7
76.03976	0.7
79.05472	0.6
80.05009	0.8
81.03384	0.6
81.92610	0.3
83.06081	1.2
84.04491	6.3
84.08136	0.7
85.02889	0.9
85.04022	2.5
86.09699	1.6
93.05759	0.4
94.06558	2.9
97.01124	0.4
99.02695	0.5
99.05571	0.7
104.04967	0.9
105.05764	1.8
106.06542	3.5
108.08100	0.5
110.00600	0.7
110.07140	1.0
111.02660	2.9
112.03954	0.5
113.03468	0.5
117.84559	0.3
121.01044	0.3
122.06045	0.4
123.02582	0.4
125.02936	3.6
126.03767	0.5
127.03929	0.4
128.05280	0.6
129.06595	0.7
130.04982	3.8
131.04497	1.4
133.51833	0.3
134.34764	0.3
135.02600	0.9
136.02133	0.9
137.05954	0.4
138.03708	39.2
139.03951	0.9
140.05283	0.4
145.06079	0.4
147.04468	0.4
147.07646	0.7
149.02965	0.7
151.06273	7.3
152.07059	6.7
153.06450	0.7
154.08600	0.9
156.04778	5.1
157.33397	0.3
163.03954	0.5
164.01591	0.4
164.05275	3.0
165.06891	0.4
166.03223	2.2
177.03261	5.2
182.02661	0.5
182.34306	0.3
184.04256	100.0
185.04686	1.0
186.05867	0.6
192.04736	1.2
194.10526	0.5
210.05817	7.1
220.09630	0.4
227.08461	5.4
229.15643	0.4
231.04349	3.7
232.56886	0.3
237.06918	1.5
238.05315	9.7
247.12743	0.4
255.07957	4.7
261.03909	0.9
288.06464	0.6
293.09460	2.3
306.07474	0.4
327.08737	0.4
330.11145	9.0
384.12097	2.2
398.81384	0.3
459.15567	0.5
459.25589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.05506	14.6
56.05028	26.9
57.03155	2.9
57.03429	41.6
57.07071	18.3
58.02948	11.5
58.06598	1.7
60.04221	2.9
60.04514	44.4
65.03921	2.4
67.05493	28.2
68.05015	7.0
69.07057	21.2
69.58708	8.1
69.59109	4.2
70.06583	9.3
71.08621	11.8
72.04507	13.6
76.03999	17.9
79.05483	8.8
79.67494	1.9
80.05012	12.4
81.07047	16.9
82.06577	16.8
83.04968	2.7
83.08604	11.8
84.08117	4.1
85.06526	5.0
85.10166	6.1
88.07615	1.9
89.78242	2.0
90.05542	2.6
91.05456	4.2
93.07031	8.1
94.06556	6.2
95.04954	7.4
95.08602	18.9
96.04524	1.7
97.06524	18.0
97.10159	8.1
98.06040	7.6
98.20797	3.3
99.08077	27.4
100.07597	28.6
105.07023	2.4
107.08611	4.6
108.08117	3.8
109.10159	8.7
110.06063	2.4
110.09641	2.8
112.07588	6.4
113.05994	12.8
115.07560	9.0
121.10142	3.1
123.11677	2.8
124.03963	13.1
130.08624	17.9
136.07494	2.1
138.09123	5.5
149.63760	1.7
150.63934	1.8
156.10178	25.1
174.11319	2.6
198.07655	4.8
200.20201	2.8
201.20470	2.6
284.26657	2.3
285.27109	3.0
292.30164	2.7
293.28433	3.9
308.29504	3.8
310.31024	6.6
318.31516	3.6
326.30511	9.1
328.32047	3.0
330.31622	3.1
344.31497	10.6
348.32513	5.8
366.33618	8.0
384.34818	12.2
440.37170	9.7
441.38126	2.1
458.38391	100.0
458.44580	12.4
459.30774	6.1
459.38754	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
54.41213	1.5
55.01875	7.8
55.05506	51.4
57.03428	4.6
65.03926	3.3
67.05500	39.5
69.03419	4.9
69.07064	14.4
69.17732	20.4
71.04976	1.7
79.05018	2.6
79.05485	45.2
81.07050	34.1
83.04974	5.9
83.08618	23.7
91.05476	39.8
93.03387	2.3
93.07042	22.0
95.04951	3.7
95.08607	12.1
97.06471	2.1
97.10163	45.6
103.05453	20.1
105.03391	2.4
105.07024	29.9
107.04949	6.1
107.08579	22.3
109.06552	2.9
109.10147	6.3
111.08077	3.5
112.54063	1.7
115.05461	11.7
116.06217	1.9
117.07008	51.0
119.08578	13.6
119.42758	1.6
121.06518	4.0
121.10138	4.6
123.08070	2.3
125.09615	40.5
128.06273	3.6
129.06993	26.8
130.10271	1.8
131.04947	3.1
131.08562	35.6
133.06470	8.7
133.10100	4.6
135.08052	9.3
141.06982	10.1
143.04919	1.9
143.08551	14.9
145.06465	14.1
145.10143	13.5
147.08104	1.8
147.11613	2.1
149.09605	4.9
153.07033	2.1
153.09116	4.2
155.08528	15.6
157.06485	5.1
157.10132	5.2
159.08075	5.7
159.11717	5.1
161.09589	2.2
162.32109	1.7
165.07005	2.1
167.08557	6.4
168.09373	2.1
168.90199	1.7
169.10133	9.7
171.08017	6.2
171.10287	2.7
171.11696	6.4
173.13286	3.4
178.26845	1.8
179.08588	3.2
180.09296	1.8
181.10184	3.0
183.11714	3.3
185.09651	2.0
185.13246	5.2
187.11142	1.9
187.14821	13.8
189.11212	26.3
195.11713	6.7
197.09613	2.0
197.13266	17.6
207.11681	3.1
209.13329	2.7
213.12720	8.5
215.14299	100.0
216.14749	2.0
219.11792	1.6
221.13228	2.1
223.11134	3.2
225.12720	2.4
227.12727	34.7
229.15738	2.0
230.11435	1.8
231.13742	1.7
233.15320	2.0
235.14838	2.6
237.12794	2.2
239.14461	3.3
241.12276	7.0
245.13841	2.7
253.15858	2.2
259.13397	3.4
269.15564	2.4
271.16901	8.4
289.18286	1.7
315.15802	1.9
321.22177	4.8
331.20282	2.1
339.23117	5.7
349.21600	15.1
357.24237	3.1
367.22723	36.6
385.23804	23.5
399.85172	1.9
403.24814	5.0
412.67648	1.7
423.25177	4.0
441.26352	61.9
442.26730	3.0
459.27368	74.2
460.27573	3.8
473.17279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70122	1.9
53.03940	2.8
55.01847	4.2
55.05490	5.3
57.03448	2.3
57.07074	1.7
61.02909	2.8
62.46396	1.9
67.05493	13.1
68.99771	2.8
69.03419	15.2
69.07045	6.5
70.06584	4.9
70.77402	3.8
71.04978	9.1
72.08141	3.1
79.05473	5.3
81.03381	10.1
81.07050	10.2
83.08611	2.8
85.02897	18.4
85.06530	5.3
86.09689	7.7
87.00799	8.2
91.05475	9.4
93.07047	9.6
95.04949	7.7
95.08614	10.0
97.02882	11.4
97.06496	4.9
99.04425	4.4
99.08051	3.3
105.01839	8.0
105.02493	1.8
105.07003	10.0
107.04944	2.7
107.08592	15.8
109.02867	8.6
109.06502	100.0
109.10149	31.0
111.08080	3.9
112.28390	2.2
117.07047	2.6
119.08556	8.0
121.02826	7.0
121.10147	14.0
122.03182	3.7
123.08041	17.5
125.09670	2.6
127.03894	14.6
129.06920	2.6
131.08536	13.4
133.10101	13.2
135.08035	42.4
139.11140	3.6
143.08469	2.6
145.04890	3.7
145.10081	4.9
147.02850	1.8
147.11650	4.7
149.09590	4.8
149.13222	3.8
151.11200	4.0
153.09090	6.8
158.10884	3.1
159.02870	3.7
167.62704	1.9
173.13220	19.9
178.85493	1.8
189.09300	2.4
191.14279	81.3
209.04346	2.1
209.15317	40.3
227.17538	3.0
231.04916	3.0
277.31509	2.0
309.25677	1.9
335.50446	2.0
457.14810	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	457.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05737	2.2
53.03929	2.5
55.01859	10.3
55.05501	27.4
57.03431	38.0
57.07063	7.6
59.04989	8.0
65.79168	2.0
67.05495	46.5
69.03412	16.9
69.07061	37.6
71.04985	19.6
71.08622	15.5
71.52212	3.2
71.52624	3.2
71.77945	2.1
73.02911	4.7
79.05483	34.3
81.07044	76.7
83.04974	6.1
83.08614	30.3
84.05753	29.2
85.06535	13.0
87.04454	24.6
91.05492	19.5
93.07032	37.9
95.04957	7.6
95.08595	84.1
97.06522	19.9
97.10165	8.4
98.07291	9.0
99.04446	6.8
99.08069	11.2
102.02303	2.3
105.03392	17.1
105.07011	18.4
106.03683	5.3
107.08585	27.7
109.06495	11.5
109.10143	32.2
111.08069	18.5
113.09612	3.1
116.04726	3.5
117.07045	2.6
119.08570	18.5
121.10143	27.3
123.08067	7.7
123.11674	7.6
123.91653	2.4
125.09597	8.3
127.07494	2.9
127.11224	3.8
129.05469	36.3
131.08549	10.3
133.10115	20.5
135.08020	3.3
135.11700	13.3
137.09589	5.4
137.13234	4.1
139.07494	3.4
139.11147	3.7
143.07007	4.1
143.08545	3.4
145.10054	10.5
147.11662	17.3
148.52090	2.1
149.09619	3.6
149.13217	20.2
151.11147	4.0
159.11664	7.7
161.13248	9.2
163.14799	6.8
165.12659	2.6
167.14284	10.2
171.10229	2.4
171.13777	16.2
175.14815	9.4
177.16356	4.7
179.14236	6.0
180.09248	2.2
185.11703	9.7
185.13200	4.9
187.14809	10.3
190.12271	3.5
193.15837	8.9
194.92468	2.5
195.17493	8.2
198.16127	2.9
203.14256	6.1
205.15807	6.2
218.11745	2.4
221.15298	14.7
223.16908	47.7
225.18481	24.9
231.15915	7.2
239.16441	10.2
240.17191	9.4
241.17982	19.1
243.19617	3.9
249.18529	5.0
257.17453	65.7
267.19559	8.5
297.20502	11.4
305.24478	2.6
313.20032	100.0
314.20792	27.4
315.21619	43.0
363.27368	2.6
439.30487	4.0
457.25702	3.5
457.31610	42.4
458.32007	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88027	4.5
55.05494	16.5
56.05032	32.7
57.03426	57.1
57.07059	23.2
57.71437	5.4
58.02953	9.3
60.04522	45.1
64.19494	4.1
67.05499	31.7
68.05017	6.6
69.07066	31.0
70.06577	8.1
70.26545	4.1
71.08624	9.7
71.53535	5.1
72.04494	10.2
76.04003	22.6
79.05486	19.2
80.05004	11.2
80.64788	4.2
81.03393	5.3
81.07057	26.9
82.06565	19.6
83.08595	17.3
85.06544	6.5
85.10138	4.7
90.05553	6.0
91.05454	5.5
92.55783	4.3
93.07047	12.4
94.06554	4.0
95.04926	10.3
95.08612	20.3
97.06526	18.2
97.10146	8.0
99.08086	26.8
100.07593	38.9
106.02911	9.2
107.08572	6.5
109.10181	11.5
112.07582	5.6
113.05985	16.2
115.07542	11.5
121.10114	6.9
124.03946	33.6
130.08621	17.7
137.66542	4.1
138.09149	10.3
156.10165	26.1
187.27422	4.6
198.07639	15.9
310.30917	6.1
326.30472	8.2
344.31650	9.5
348.32697	5.3
366.33698	11.3
384.34683	12.6
440.37216	14.6
458.38217	100.0
459.30615	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	457.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36053	2.3
53.78551	2.6
56.96557	15.9
60.07249	2.6
60.27532	2.4
60.39978	2.7
67.05492	3.1
69.03413	6.3
69.07046	7.3
70.06585	24.9
79.05447	3.3
80.00570	2.4
81.07041	4.8
81.29808	2.8
84.04455	2.9
84.08109	3.5
84.96024	19.8
85.02885	6.9
86.09697	65.6
91.05441	7.8
93.07032	6.9
95.04948	4.0
95.08601	4.0
98.21546	5.8
98.97577	64.0
99.04454	3.5
105.04730	2.9
105.07001	2.8
107.04910	4.6
107.08546	8.0
108.43080	3.0
108.43832	2.6
109.02824	4.1
109.06477	4.5
109.10083	2.7
110.07146	3.5
110.88199	2.7
112.99108	10.6
116.98608	53.1
120.08064	11.6
127.03853	4.6
128.10686	6.7
131.00150	25.3
131.08545	3.9
133.10101	5.8
134.99646	27.1
140.00136	3.2
146.99670	2.8
147.11627	4.4
149.01210	17.5
151.03906	3.7
156.11391	3.7
158.99667	14.1
162.99046	3.5
164.79860	2.8
167.02197	3.7
172.10796	5.9
173.01219	14.4
177.00703	36.5
177.05440	4.4
191.02202	19.5
191.14270	5.4
195.01688	8.2
201.00716	8.1
201.12332	3.5
203.10565	3.0
209.15320	9.8
219.01682	10.9
229.04761	3.5
229.15399	6.6
247.06047	4.2
247.09659	5.8
251.09502	17.6
255.09050	4.2
262.08340	6.5
265.10962	3.2
269.10660	30.2
277.10739	3.2
283.12091	5.6
285.19055	7.8
293.10498	15.0
311.11618	20.8
413.16132	10.2
429.20023	4.2
457.14655	100.0
457.24182	13.4
457.31125	46.3
458.15018	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10088	1.0
55.01864	2.4
66.67847	0.9
69.89522	5.2
70.02935	13.8
70.06580	3.0
72.08148	1.1
79.05496	2.1
79.95127	1.1
85.02887	1.2
85.04015	1.6
86.09685	1.3
87.05582	8.1
88.03974	4.8
91.05465	2.7
98.02402	1.6
99.00745	0.9
106.06548	4.9
107.04937	3.5
108.05759	1.3
115.94724	1.1
118.06535	8.5
119.04932	3.0
119.07310	60.0
120.08100	1.6
122.06004	9.9
123.04379	1.5
127.91220	0.9
130.06514	5.4
131.07326	1.9
132.04440	2.2
133.02870	1.8
134.05995	31.7
135.04471	1.6
135.06776	49.2
139.03870	2.5
145.05154	1.9
146.05997	3.9
147.09085	1.2
148.07549	1.2
150.05487	15.4
160.03928	1.6
160.07530	1.2
162.05484	1.2
163.03828	1.8
174.05403	1.4
179.08484	1.5
195.08015	1.6
207.07988	4.0
210.06795	1.1
214.05109	1.7
223.07527	5.6
225.09166	2.4
234.09230	1.6
235.07480	3.8
237.09027	2.0
239.06923	2.1
240.10172	12.9
251.06982	1.3
252.10167	18.1
254.11682	3.6
256.09695	3.2
262.08630	2.3
264.10175	1.5
268.12079	1.6
269.12814	77.0
270.10959	12.8
270.13730	1.9
271.11588	1.3
278.11856	1.1
279.11191	15.0
280.09619	3.2
281.12759	1.6
293.13107	1.3
295.14432	4.6
298.10730	5.5
307.10834	4.9
315.13342	31.5
316.13617	2.9
321.12186	6.5
325.11902	5.2
331.10947	2.0
332.08737	1.1
340.16498	1.8
349.11835	12.4
351.13257	2.4
353.11273	4.0
366.14636	6.9
367.12994	5.0
377.11246	5.5
394.14093	7.7
395.12344	42.6
396.12643	1.8
405.10837	2.9
411.16525	2.4
412.14957	100.0
413.15176	6.2
422.13541	1.4
423.11722	10.4
423.96939	1.0
440.14450	21.3
457.07361	1.9
457.17319	20.1
457.23456	1.5
458.17871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01870	1.8
55.05499	1.7
57.03418	2.2
57.07070	16.9
59.04995	100.0
60.05329	1.1
61.02924	1.3
65.16020	1.0
67.05460	1.6
69.03417	9.0
69.07043	2.1
70.06577	2.2
71.04974	2.2
71.23770	1.2
71.53240	1.6
72.08164	1.0
73.02906	1.5
78.89281	0.9
79.05500	1.3
81.03406	9.0
81.07061	1.8
83.04964	1.4
84.04493	1.1
84.08146	1.2
85.02901	21.1
86.09678	2.2
87.00826	7.7
91.05479	2.3
93.07054	1.1
95.04961	1.5
95.08653	1.0
97.02870	7.6
99.04417	4.0
105.01844	6.9
105.07011	1.8
109.02900	6.1
109.03493	1.2
109.06505	1.6
109.10120	1.6
112.97802	1.2
115.11195	29.4
117.09084	1.9
119.04916	1.1
119.08553	1.9
124.37227	1.2
127.03903	8.5
131.08549	1.1
145.04948	4.0
152.78824	1.0
159.02869	3.5
164.10736	3.0
165.09157	1.4
173.15378	6.4
180.80005	1.2
191.14513	2.5
191.16397	45.7
192.16687	1.4
266.81580	1.2
312.03555	1.1
374.56439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01870	1.8
55.05499	1.7
57.03418	2.2
57.07070	16.9
59.04995	100.0
60.05329	1.1
61.02924	1.3
65.16020	1.0
67.05460	1.6
69.03417	9.0
69.07043	2.1
70.06577	2.2
71.04974	2.2
71.23770	1.2
71.53240	1.6
72.08164	1.0
73.02906	1.5
78.89281	0.9
79.05500	1.3
81.03406	9.0
81.07061	1.8
83.04964	1.4
84.04493	1.1
84.08146	1.2
85.02901	21.1
86.09678	2.2
87.00826	7.7
91.05479	2.3
93.07054	1.1
95.04961	1.5
95.08653	1.0
97.02870	7.6
99.04417	4.0
105.01844	6.9
105.07011	1.8
109.02900	6.1
109.03493	1.2
109.06505	1.6
109.10120	1.6
112.97802	1.2
115.11195	29.4
117.09084	1.9
119.04916	1.1
119.08553	1.9
124.37227	1.2
127.03903	8.5
131.08549	1.1
145.04948	4.0
152.78824	1.0
159.02869	3.5
164.10736	3.0
165.09157	1.4
173.15378	6.4
180.80005	1.2
191.14513	2.5
191.16397	45.7
192.16687	1.4
266.81580	1.2
312.03555	1.1
374.56439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53735	0.7
69.07066	10.5
70.06570	1.2
70.70273	1.9
73.16071	0.6
79.05470	0.9
84.08090	1.8
86.09700	49.1
91.05428	1.0
94.23241	0.6
96.08078	1.9
106.06498	1.3
107.04901	3.1
110.09669	0.7
115.51248	0.6
118.04128	1.4
118.06485	3.1
119.04953	1.6
119.07320	19.0
120.05701	0.9
120.08096	0.7
122.05975	2.2
133.05173	0.8
134.05992	12.2
135.04398	1.1
135.06776	29.6
146.06001	4.8
147.09129	0.8
150.05486	4.3
182.51376	0.7
186.10307	1.1
203.12921	0.8
207.08011	1.5
210.06665	0.9
223.07570	1.0
225.09004	2.7
226.09938	0.8
235.07622	4.2
236.08369	1.0
237.09114	5.3
239.06970	3.6
240.10133	2.5
241.08517	1.9
252.10120	9.8
253.08420	1.2
254.11758	10.0
255.10040	1.2
256.09653	3.1
269.12823	29.8
270.11179	23.3
280.09683	1.8
281.08041	1.6
282.11063	1.0
297.12369	0.9
298.10684	8.9
300.12271	1.6
315.13354	100.0
316.13690	3.0
322.17886	0.8
337.18903	3.7
338.17438	7.5
365.18542	1.5
383.19601	17.0
411.19116	42.5
412.19559	2.6
428.21790	26.3
429.22046	1.4
438.19910	0.9
439.18619	4.8
456.14841	1.6
456.21292	32.6
457.21362	1.4
480.82721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47229	1.9
53.03929	6.4
55.01851	5.9
55.05513	3.7
57.03418	6.3
59.04984	4.5
61.02903	7.2
67.05476	7.1
68.99780	3.4
69.03424	28.3
69.07059	3.7
69.43900	13.9
69.44313	5.0
70.06568	7.5
71.01312	2.5
71.04968	9.8
72.08147	2.1
72.80185	2.5
73.02895	3.3
79.05471	8.0
81.03405	25.2
81.07037	5.9
83.04955	6.3
83.08598	3.5
84.04454	2.1
84.08082	1.9
85.02901	29.3
85.06509	4.1
86.09677	3.0
87.00829	15.9
91.05465	10.6
93.07018	7.0
95.04955	9.3
95.08579	8.6
97.02876	30.8
97.06519	4.5
98.20782	5.1
99.04468	11.3
103.03951	3.3
103.05474	2.2
105.01847	5.2
105.07008	20.0
107.08589	17.2
109.02876	41.4
109.06506	79.4
109.10177	4.7
111.04465	5.1
115.05431	3.3
117.06944	2.5
119.08571	23.1
121.06517	4.0
121.10141	13.1
123.08041	44.3
127.03905	100.0
128.06184	3.6
129.01804	4.1
129.07007	5.3
131.08592	14.8
133.10091	7.2
135.08023	7.3
135.11673	4.4
137.05983	2.7
137.09589	4.9
140.48808	2.1
143.08517	6.5
144.09349	3.2
145.04936	9.5
145.10097	9.8
147.08005	11.9
147.11684	15.9
149.05917	3.4
149.09622	20.0
151.07516	17.3
155.08505	2.8
156.09306	8.4
157.10030	2.9
159.02882	2.8
159.11679	9.3
159.67455	2.7
161.13206	7.0
163.07518	2.6
163.11121	15.5
165.12738	6.4
171.11687	11.6
173.09586	3.0
173.13269	3.5
174.10349	2.9
175.11145	4.2
187.11147	6.7
189.12741	45.1
190.13351	2.3
191.14233	8.7
203.03902	2.2
207.06447	2.4
207.13750	46.3
209.13213	2.6
213.03897	4.6
229.12251	3.0
231.05083	10.3
231.13722	3.5
248.71786	2.7
249.06052	3.5
251.39511	2.1
255.13808	3.8
273.14841	3.6
287.05328	3.3
291.15842	3.7
297.14890	4.6
308.17114	2.2
315.15958	3.7
437.17902	6.6
455.19040	3.0
478.24930	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01865	1.1
55.05502	2.0
56.96546	2.1
59.04999	2.1
63.64252	0.9
67.05493	1.4
68.99780	1.4
69.03416	2.0
69.07046	3.9
70.06581	8.2
71.04984	16.6
71.52608	1.2
71.53039	1.5
71.93785	0.8
72.08127	2.1
73.02887	1.1
73.06543	4.3
76.87701	0.9
79.05481	5.7
81.03409	2.2
81.07045	22.5
82.07333	1.0
83.08604	1.3
84.08143	4.2
85.02887	5.1
86.09679	3.7
87.00822	1.3
91.05454	2.5
93.06481	1.5
93.07032	16.3
95.04934	1.7
95.08595	3.0
96.08086	0.9
97.02875	2.1
105.01844	3.1
105.07040	1.0
107.04929	1.2
107.07954	1.3
107.08595	11.7
109.02858	2.5
109.10146	2.6
110.07129	1.8
111.04449	1.1
123.04402	6.6
124.04768	1.2
127.03884	5.6
129.10240	2.4
135.04402	2.1
135.10692	1.8
135.11676	24.6
136.07501	1.1
137.02341	2.7
138.02629	2.1
139.03893	5.5
145.04929	0.9
151.03955	1.4
151.41966	1.0
153.12721	100.0
154.13123	2.0
163.03873	3.3
179.03368	1.1
196.03241	1.5
197.01222	2.8
215.02350	1.0
231.04887	1.4
237.00613	1.4
245.04329	1.3
246.04613	1.1
247.06015	1.3
248.06241	1.6
268.07037	1.0
302.07574	1.2
303.07474	0.9
310.04172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99645	0.9
53.03908	1.0
55.01851	1.3
57.03412	2.4
57.61507	0.9
61.02913	2.2
69.03410	5.3
69.07072	1.6
70.06583	9.9
71.04973	2.4
71.53001	1.7
72.08144	3.1
79.05491	1.6
81.03400	3.5
84.04474	1.7
84.08141	1.6
85.02895	15.3
85.17068	1.1
86.09686	6.7
87.04446	1.0
91.05452	2.1
97.02883	5.3
98.97520	1.4
99.04438	1.5
105.06973	1.7
105.83168	1.1
109.02852	2.3
112.07689	1.4
116.07169	1.3
119.04921	2.7
127.03913	5.0
128.06236	1.3
129.06992	3.9
129.10234	1.8
131.06979	1.0
131.08566	0.9
133.22972	1.1
140.07045	1.0
143.11710	1.3
145.04942	3.7
145.08540	8.6
147.07986	2.1
157.06480	5.1
168.34987	1.1
175.07507	1.9
185.05949	3.4
189.05440	1.7
203.06966	1.8
213.05411	6.6
216.04173	1.2
217.01433	1.4
217.04968	1.4
231.06514	3.1
235.02202	1.2
241.04959	1.7
259.05991	50.2
277.07034	100.0
278.07425	2.0
371.16455	1.1
402.79407	1.1
456.22720	1.6
457.16696	3.4
457.23853	1.1
469.91995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3052
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
55.05515	6.4
57.07071	1.3
67.05501	11.2
69.07060	10.2
70.01254	3.0
70.01656	1.8
71.04955	1.3
79.05488	2.3
81.07047	15.7
83.04993	1.2
83.08608	10.4
85.06531	1.4
89.03909	7.1
91.05478	3.1
93.07047	3.9
95.08596	19.1
97.10158	4.3
105.07013	2.3
107.04910	1.3
107.08594	3.0
109.06483	1.4
109.10149	10.7
111.11725	2.8
117.03370	20.3
121.10096	1.1
123.11710	4.9
133.10149	1.8
135.04414	3.0
137.05980	1.3
137.13268	1.5
143.08679	1.5
145.02832	47.7
145.10107	1.8
146.03159	1.1
147.11607	1.1
149.02333	4.2
149.05949	9.2
150.02629	1.1
163.03946	3.0
177.05452	100.0
186.05489	2.5
187.11919	1.0
193.04982	3.8
195.06506	15.8
240.09950	1.1
257.24652	1.4
285.29855	1.8
312.41974	1.2
352.05688	1.1
451.32632	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	454.2923
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05490	2.2
57.03437	4.3
57.07070	23.4
60.14421	0.5
62.06084	24.8
63.22617	0.6
67.05502	4.0
69.07060	3.0
71.08625	16.5
78.19785	0.5
79.05457	0.7
81.03407	0.6
81.07043	6.2
83.08605	4.1
83.61814	0.6
85.10168	8.6
89.06001	1.0
93.07042	0.7
95.08601	8.1
97.10151	1.7
98.98453	8.3
108.18404	0.5
109.10137	3.3
111.11765	0.6
116.99430	0.7
123.11685	1.1
124.01571	1.8
127.05441	0.5
131.08549	0.6
142.02629	1.4
145.10056	0.5
155.01019	5.7
156.38414	0.5
166.31813	0.7
173.02112	1.5
182.41405	0.5
195.85788	0.5
198.05287	1.8
216.06316	2.2
239.23682	2.3
257.24863	0.9
282.27905	12.8
313.27332	100.0
314.27698	2.4
351.50974	0.6
393.23929	4.9
436.28104	1.6
454.28656	1.0
454.34384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
53.82352	3.4
55.01855	3.6
55.05489	12.9
57.07056	7.3
60.57676	3.8
63.17918	4.0
67.05502	25.1
69.03396	4.1
69.07047	6.1
71.04979	10.3
71.52209	5.0
71.52601	4.5
79.05482	29.1
81.03403	4.1
81.07037	31.7
83.04969	5.7
83.08605	11.1
84.55343	3.4
85.02860	3.5
85.06522	7.5
91.05475	27.0
93.07030	40.9
95.04958	36.5
95.08592	23.0
97.06522	9.0
101.05605	3.9
103.05441	4.3
105.07014	40.0
107.08572	49.5
109.06499	100.0
109.10149	9.8
111.04462	6.6
111.08069	12.3
117.07002	15.9
119.08564	38.0
121.06483	14.3
121.10116	14.7
123.08045	24.3
123.11735	4.1
125.05970	8.7
125.09598	11.8
128.06235	7.9
129.06967	11.0
131.08539	22.3
133.06503	4.8
133.10075	13.2
134.10490	4.5
135.08066	26.1
135.11674	7.0
137.05978	17.6
137.09563	11.2
139.07535	4.2
141.06950	7.4
142.07733	15.0
143.08542	27.7
144.09299	4.3
145.06488	7.9
145.10114	24.1
147.08009	13.6
147.11710	6.6
149.09560	13.7
151.07545	22.8
153.06929	8.5
155.08522	15.9
156.09293	8.3
157.10094	21.1
159.08029	9.9
159.11659	16.1
161.09662	17.4
163.03897	4.2
163.07579	5.6
163.11156	58.2
165.09026	5.7
167.07021	28.5
167.08511	11.5
167.10616	6.0
168.09254	9.0
169.10149	19.1
171.07913	5.3
171.11665	15.9
173.09570	11.7
173.13181	6.2
175.11104	7.7
179.08466	5.9
179.10608	5.0
181.10100	10.6
181.12167	4.2
182.10841	7.5
183.11687	22.6
185.09682	6.7
185.13266	5.4
187.11186	4.0
189.12740	12.5
191.10612	4.0
193.08543	7.8
193.10187	6.0
193.12186	6.3
194.10928	5.2
195.11656	13.8
195.13782	8.1
196.12263	4.2
197.09489	4.6
197.13231	15.0
199.11227	10.0
201.12695	12.5
207.11745	6.3
207.13826	16.5
209.13234	9.9
213.12761	13.1
215.14230	17.0
216.15021	5.3
217.12186	4.3
221.13194	5.0
223.13219	12.5
225.12733	5.4
227.14378	9.0
231.13751	10.1
234.16084	6.5
235.13235	14.1
237.14807	7.6
239.14175	6.6
243.13789	5.7
249.14743	7.1
259.74631	4.1
281.29901	3.9
285.18597	5.5
301.17917	9.5
306.05347	3.8
309.18500	4.5
315.19357	5.8
349.21616	8.3
433.27097	10.8
451.09937	5.7
451.27866	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58580	0.9
54.62708	1.0
55.01854	3.1
55.05504	8.0
57.03427	1.7
61.02931	1.5
67.05492	1.5
68.99776	1.1
69.03417	7.7
69.07062	1.8
69.84781	1.0
70.06583	4.0
71.04977	3.0
71.52448	2.1
72.04507	2.3
73.02927	1.4
77.94265	1.0
79.05486	1.8
81.03419	9.1
81.07050	1.8
82.06604	1.1
83.04966	1.3
83.08628	5.3
84.04505	2.7
84.08144	2.3
85.02903	3.7
86.06091	1.0
86.09691	5.6
87.00806	1.4
91.05492	2.9
93.07058	1.3
95.04993	1.9
95.08578	1.5
97.02872	1.7
99.04449	7.7
100.07607	1.1
100.11250	25.1
101.11576	2.4
105.07004	2.6
107.04955	1.2
107.08616	1.8
109.10179	1.2
111.04407	2.0
115.00896	1.1
117.05468	1.4
118.06545	1.9
119.04918	1.4
119.08539	1.3
120.08090	2.6
122.03600	1.0
123.04427	3.4
123.08172	1.0
128.07092	2.6
128.10739	1.9
131.04967	1.7
133.10155	1.2
135.04466	1.9
137.05998	3.3
142.00005	1.0
142.98245	1.0
145.07640	7.6
146.08376	2.2
147.04382	1.4
147.09167	18.8
149.05934	1.5
151.03882	1.9
151.07561	1.3
153.01866	1.3
154.12331	2.8
156.10126	1.1
156.13834	1.8
159.09180	11.3
160.09879	1.6
163.03889	1.6
166.97771	1.3
167.03523	1.4
167.07001	1.8
171.09186	1.1
173.10684	1.5
175.08698	1.5
177.05508	2.2
182.15340	7.7
184.09961	1.2
185.10823	5.3
187.08720	1.3
189.10231	2.4
190.06134	1.1
191.08147	75.4
192.08513	2.2
197.10739	2.2
199.12296	3.8
203.05327	1.2
205.08591	2.8
209.16515	6.3
210.14915	5.9
213.10197	1.2
215.11833	1.3
216.07619	6.6
225.10258	1.7
226.19159	1.9
227.11855	2.5
233.09265	1.5
243.11356	1.7
245.09100	2.1
245.12822	5.5
247.22217	1.0
263.13812	5.3
283.20117	1.1
289.11780	3.7
289.15091	1.5
296.48041	1.1
301.10959	2.1
303.08670	4.6
305.14893	4.7
307.12897	15.7
321.52740	1.0
331.12885	2.0
349.13974	15.3
350.13861	1.9
392.14444	6.2
393.12802	10.3
435.33325	1.9
436.13501	100.0
437.13824	5.8
452.36020	3.3
453.17361	4.2
453.34454	22.3
471.59460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58146	1.7
55.01851	2.8
55.05500	7.1
57.07040	5.0
59.04986	3.4
59.85729	1.8
65.03920	2.7
67.05476	15.4
69.03403	4.5
69.07043	4.1
70.77014	2.5
70.77352	5.1
71.04975	7.4
79.05476	15.1
81.07039	28.6
83.04961	6.3
83.08618	5.4
85.02906	2.2
85.06537	3.6
85.32396	1.7
91.05457	26.6
93.07020	30.9
93.52242	2.3
95.04945	15.0
95.08598	15.2
97.02814	1.9
97.06501	7.4
105.07004	38.6
107.04974	2.9
107.08564	26.2
109.06496	100.0
109.10128	6.6
111.08047	5.9
115.05452	3.0
117.07024	11.8
119.04913	2.8
119.07813	2.4
119.08563	25.1
120.08047	2.3
121.06469	11.4
121.10125	10.6
123.08035	20.6
125.05969	4.7
125.09627	3.4
128.06195	4.7
129.06972	7.6
130.07803	2.1
131.08542	21.0
133.06458	6.6
133.10088	20.3
135.08029	18.4
135.11667	6.8
137.05952	14.2
137.09572	13.8
139.07500	4.1
141.06960	4.5
142.07753	9.5
143.08546	17.9
145.06424	4.8
145.10088	24.1
147.08038	12.8
147.11662	4.8
149.05928	3.5
149.09589	10.6
151.07521	14.3
151.11157	2.8
155.08492	6.7
156.09325	5.4
157.10098	29.2
159.08037	7.6
159.11661	11.1
161.09608	13.7
163.07527	5.8
163.11130	19.4
165.06992	4.0
165.09081	9.2
167.06998	6.3
167.08598	6.5
167.10608	2.9
168.09308	4.7
169.10101	10.3
171.07976	3.1
171.11661	15.0
172.08774	2.3
173.09540	9.5
173.13231	6.0
175.11156	14.8
177.09018	2.3
177.12715	3.0
179.08495	4.1
179.10599	2.9
180.09373	2.3
181.10080	7.8
181.12219	2.8
182.10863	7.4
183.11658	17.6
185.09593	9.4
185.13129	4.2
187.11139	6.6
187.14662	2.4
189.12717	12.3
193.08548	14.5
193.10158	3.2
193.12192	11.6
195.11653	9.3
195.13623	4.2
196.12378	2.1
197.09532	3.2
197.13185	14.5
199.11102	11.1
199.14865	2.0
201.12691	9.5
203.10635	5.7
203.14244	2.5
207.11794	4.0
207.13776	12.8
209.13249	8.8
210.10379	2.9
211.10922	2.1
211.14841	4.3
213.12651	8.1
215.10619	3.2
215.14273	31.9
217.12146	2.5
220.12320	2.3
221.13310	3.6
223.11089	3.2
223.13062	3.3
225.12704	8.1
227.10670	3.2
227.14307	4.6
229.12108	4.4
231.13785	20.4
235.13220	4.7
237.12660	3.7
237.14687	16.3
239.14195	2.8
241.15738	6.9
243.13791	3.3
245.11623	3.1
245.15483	3.1
249.14781	23.3
255.17455	2.8
257.15292	3.0
259.16901	4.9
271.16946	4.9
273.18533	4.6
273.22266	2.0
283.16867	6.0
285.18539	12.0
299.20126	2.8
301.18015	16.6
311.00626	2.0
315.19550	4.8
327.19366	2.9
328.20355	4.6
349.21487	4.1
365.24496	2.5
408.26541	8.7
409.26846	2.8
417.81708	2.2
433.27258	9.4
451.28171	46.0
453.13229	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2685
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
55.05511	14.1
57.07067	3.8
67.05501	20.7
69.07054	11.9
71.04990	2.4
71.52554	4.3
74.09705	7.7
79.05490	12.9
81.07043	28.1
83.05013	3.0
83.08613	7.5
85.06528	4.1
89.03928	4.8
91.05477	10.1
93.07037	11.0
95.04964	4.9
95.08606	17.2
95.09101	2.5
97.10175	6.9
99.08142	2.5
105.07021	9.9
106.76830	2.9
107.04971	3.4
107.08575	10.8
109.06518	9.3
109.10155	11.4
111.11714	5.8
117.03353	7.7
119.08566	10.6
121.06544	2.8
121.10119	11.0
123.04443	2.8
123.08036	3.5
123.11642	4.5
125.79231	2.4
131.08548	6.0
133.10121	11.5
135.04410	16.2
135.11652	7.6
145.02846	12.6
145.10133	3.4
147.11665	5.2
151.11134	3.8
155.08539	4.0
156.09360	3.6
159.11684	4.1
160.62616	2.5
161.13225	4.6
163.03891	100.0
163.11275	3.7
181.05003	6.7
186.98112	2.9
217.15868	3.0
217.19498	11.8
235.20610	10.0
253.21616	10.9
310.32544	2.8
361.29745	2.9
376.61536	2.8
407.34521	2.6
451.27072	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	451.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01871	11.7
55.05503	15.9
57.03413	6.3
57.07064	4.4
61.02920	3.6
65.03928	5.0
67.05178	2.5
67.05502	26.8
68.64285	2.0
68.99780	4.7
69.03417	31.9
69.07064	28.3
69.48064	18.3
69.50533	2.1
70.24911	2.0
71.01365	2.4
71.04976	6.3
73.02907	5.5
79.05484	22.8
81.03403	27.9
81.06587	3.8
81.07046	48.3
83.04972	8.2
83.08597	8.3
85.02902	41.8
85.06527	4.5
87.00820	17.3
91.05476	31.2
93.07026	41.2
95.04961	12.2
95.08593	38.2
97.02892	19.9
97.06517	10.1
99.04448	7.0
103.03925	2.9
105.01856	11.8
105.06301	3.3
105.07020	56.4
107.04943	5.4
107.08581	39.1
109.02891	12.7
109.06482	10.0
109.10150	33.6
111.04414	6.4
111.08063	5.4
111.11691	2.5
113.02344	3.2
115.03896	6.0
117.03356	2.3
117.07027	9.1
119.08569	98.8
120.08920	2.6
121.02919	2.5
121.06504	9.0
121.10131	26.7
123.04423	3.5
123.08084	11.0
123.11692	8.1
125.09612	5.7
127.03879	19.6
128.06184	2.6
129.01845	4.6
129.06992	7.6
131.08549	19.0
133.06488	4.7
133.10123	27.2
135.04395	9.3
135.08002	5.3
135.11699	15.3
137.05954	4.3
137.09584	4.4
139.07489	2.7
141.07051	2.4
142.07741	3.4
143.08516	10.9
144.09337	3.8
145.02850	6.3
145.04942	3.5
145.06456	3.3
145.10101	26.7
147.04337	2.7
147.08064	5.5
147.11679	100.0
149.06024	4.0
149.09554	5.1
149.13235	7.7
151.07561	4.1
151.11176	3.4
153.09132	2.5
155.08527	8.4
156.09348	2.4
157.10127	13.4
159.02902	5.7
159.08049	3.9
159.11659	25.5
161.09546	5.2
161.13255	16.0
163.03929	28.4
163.11205	5.7
167.08562	2.9
169.10118	5.9
171.11650	12.0
173.09602	4.7
173.13263	9.6
175.11180	6.0
175.14847	5.4
177.05444	6.0
181.10149	3.1
183.11714	7.2
185.13213	6.4
187.11214	4.0
187.14874	4.2
189.04008	2.5
189.12811	6.3
189.16399	10.2
191.10678	2.4
195.11633	3.8
197.09554	3.7
197.13214	5.4
199.14828	6.0
201.03943	3.4
201.12772	2.4
201.16400	14.7
203.17914	20.1
209.13342	3.9
211.14731	2.9
213.16370	7.4
215.14198	3.2
215.17834	11.7
217.12430	2.5
225.16429	2.8
227.17911	6.0
231.04921	3.2
231.17432	3.5
237.16339	2.4
243.13736	2.5
243.17525	5.7
245.19067	4.1
251.17886	2.7
255.13632	2.6
257.19040	5.1
259.09659	24.5
267.17307	2.5
275.20358	2.6
287.20154	2.3
293.18933	5.4
295.79315	2.3
305.67957	2.4
311.20090	11.7
329.21283	13.0
347.22180	3.1
359.22028	2.4
415.21301	6.4
421.07996	2.2
433.22073	10.9
451.10852	5.1
451.22806	18.2
451.28528	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	450.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01881	2.9
55.05507	4.8
57.03426	8.4
57.07065	3.5
61.02926	9.8
64.37966	1.6
65.03922	1.8
67.05496	15.5
69.03424	18.6
69.07058	6.1
69.41547	1.9
70.05361	5.9
70.05778	3.4
70.06594	1.7
71.04989	3.4
72.84441	1.6
73.02920	4.3
79.05480	4.1
81.03436	9.9
81.07056	16.9
83.08604	7.1
85.02900	100.0
91.03937	6.7
91.05482	2.4
93.07043	2.9
93.13892	1.5
95.08605	27.4
97.02887	30.8
97.10162	6.4
99.04437	4.0
102.09169	1.7
105.07024	2.5
107.08583	1.5
109.02868	7.0
109.10145	16.5
111.11703	4.6
119.08602	2.0
121.10149	2.5
123.11691	6.7
125.13255	3.5
126.84122	1.6
127.03899	21.4
133.10080	2.5
135.04408	2.0
135.11676	2.7
137.13240	5.2
145.02788	2.0
145.04944	30.2
149.02318	6.0
151.14825	3.1
163.03928	8.6
163.06023	3.5
181.04939	2.4
181.38420	2.0
187.84210	1.5
188.59636	1.6
193.04951	11.3
207.21178	8.8
207.98616	1.5
225.22105	27.8
235.20471	3.3
284.29373	5.3
302.29486	1.7
374.60599	1.5
450.32135	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	450.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33284	1.7
53.03933	4.7
53.71527	1.9
55.01864	3.6
55.05495	7.8
57.03421	6.1
57.07083	3.8
61.02914	7.9
65.13668	1.6
67.05500	19.6
69.03418	18.8
69.07054	8.4
69.63449	5.8
69.63875	8.4
69.71909	1.8
70.06585	2.4
71.04985	4.8
73.02895	3.4
79.05479	7.5
80.16662	1.7
81.03411	6.1
81.07043	24.4
83.08612	7.4
85.02896	100.0
88.07603	2.4
88.85040	1.9
89.87331	2.1
91.03941	5.1
91.05458	5.6
93.07043	9.3
94.19186	2.0
95.04939	2.5
95.08599	30.4
97.02876	26.9
97.06539	2.1
97.10144	5.1
99.04452	4.1
100.97394	1.9
102.09185	2.5
105.07006	5.5
107.04932	2.0
107.08578	4.8
109.02863	5.7
109.06488	3.6
109.10160	14.9
111.11710	5.1
117.03380	4.8
119.04823	1.9
121.10117	8.9
123.11674	7.9
125.09641	2.4
125.13247	3.3
127.03908	21.1
131.08609	2.5
133.06517	3.1
135.04384	5.2
135.11684	7.9
137.13228	5.8
143.08551	2.7
145.02855	10.9
145.04930	28.0
149.02284	6.9
151.14832	2.7
163.03880	25.4
163.06023	4.5
176.33479	2.0
177.05478	12.9
181.04932	8.0
193.04956	9.0
207.21028	8.9
217.22020	1.8
221.08076	3.9
225.22096	26.8
235.20630	3.7
256.26413	2.5
263.08105	1.9
300.06097	2.3
450.31729	8.0
451.21213	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	449.253
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.28861	2.8
53.94249	3.0
55.05500	5.4
67.05502	38.7
69.07067	8.5
71.04982	3.1
72.85504	3.2
77.17381	2.7
79.05477	16.2
81.07049	46.8
83.05001	3.7
83.08596	6.5
89.03910	7.4
91.05474	12.9
93.07014	15.9
95.05007	3.3
95.08592	36.0
97.06529	5.8
105.07016	7.4
107.04913	4.7
107.08602	9.6
109.06498	3.5
109.10151	20.7
117.03364	7.5
119.08553	9.5
121.10133	9.3
123.11710	8.3
131.08549	4.7
133.10127	12.3
135.04379	25.0
135.11685	12.6
145.02869	12.4
145.10091	5.3
147.11728	4.4
149.13257	8.3
151.11171	4.8
159.11702	5.8
163.03893	100.0
181.04971	15.8
181.12074	3.3
214.00497	3.1
215.17969	13.5
233.18872	6.3
251.20062	23.5
258.88678	3.2
287.05563	5.7
299.05286	8.8
300.06308	4.0
329.06583	8.3
357.24185	4.9
431.09671	3.7
449.10449	5.3
449.29422	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	449.1073
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
53.03944	1.3
55.01855	2.9
57.03419	2.7
60.04796	0.7
65.03954	0.9
68.99778	3.1
69.03409	1.1
70.06591	5.5
72.08141	1.2
79.01840	10.1
79.05494	1.1
81.03416	5.4
84.04482	2.2
84.08136	1.6
85.02894	9.5
85.91592	0.8
86.09698	6.1
95.04944	1.9
97.02888	3.5
98.20690	1.4
102.05525	1.0
104.05318	1.0
105.03372	3.1
107.04914	2.2
109.02869	4.0
111.00837	1.0
119.04923	1.8
120.08078	2.0
121.02882	2.0
123.04407	4.4
125.02332	3.1
127.03884	1.5
131.04930	1.0
133.02844	1.3
135.04402	5.1
136.07579	1.3
137.02359	4.4
143.03400	3.2
147.04372	2.6
147.07990	1.0
149.02357	3.0
150.03094	1.2
151.03940	2.1
153.01833	3.2
161.02350	6.3
163.03900	4.5
165.01811	8.5
167.03383	2.0
171.01268	1.7
171.02847	3.7
171.04254	1.4
173.02289	1.0
173.06076	1.0
175.03931	2.1
177.01845	3.9
177.05473	1.2
178.02603	1.0
179.03383	3.4
181.06465	1.7
183.02907	3.9
185.05983	2.1
185.09245	0.8
187.03905	1.1
189.01915	2.3
189.05496	1.1
191.03339	7.0
195.02863	22.7
201.05460	1.8
203.03439	3.4
205.01465	1.1
205.04918	3.3
209.05980	1.3
213.05405	2.3
215.03375	1.6
217.05013	0.9
217.19214	0.8
219.02942	2.9
223.07436	1.4
227.07005	2.0
229.04802	1.3
229.42516	1.2
231.02975	1.2
231.06511	1.3
237.05476	1.8
241.05113	2.4
243.06566	3.7
244.07260	1.8
253.04987	1.2
254.05762	2.1
255.06558	4.4
257.04541	1.1
259.06006	3.9
261.04007	1.8
265.04935	1.4
267.06421	1.1
269.04373	1.4
269.08200	1.5
271.06018	3.4
273.07532	3.0
275.05423	10.4
278.05917	1.2
279.06546	2.8
281.04459	1.0
282.05209	1.9
283.05991	6.1
287.05475	15.8
287.10507	1.2
295.05963	1.1
297.07419	2.4
299.05466	76.3
300.05997	7.0
301.07013	1.6
305.06650	1.4
307.05942	1.8
308.73013	0.9
311.05399	8.9
313.06998	6.9
323.05447	1.3
324.06305	1.7
325.06992	5.3
327.05118	1.1
329.06503	100.0
330.06827	3.2
337.07108	0.9
339.04843	1.7
339.08514	8.5
341.06641	2.5
342.07739	1.0
353.06497	50.1
354.07019	2.3
359.07437	1.7
365.06512	3.6
367.08011	4.9
371.07516	1.8
383.07550	30.3
395.07541	18.3
395.12268	1.7
413.08615	31.7
414.09048	2.5
431.09656	28.9
432.10052	2.0
449.10703	29.5
450.10724	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	449.1073
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
55.01857	1.9
56.15311	0.8
59.03710	0.7
63.60890	0.9
67.37000	0.8
68.99780	1.3
70.06587	5.1
71.26248	1.6
79.01853	4.2
81.03387	2.9
84.04471	1.5
84.08127	1.1
85.02869	3.3
86.09659	3.3
97.02850	1.4
107.04901	1.1
109.02828	1.5
110.07029	0.8
116.07034	0.8
120.08046	1.3
123.04314	1.4
127.03870	1.2
135.04375	4.5
136.05186	1.2
137.02324	18.8
137.03369	0.7
147.04410	2.2
149.02263	1.4
153.01758	3.2
159.04375	0.8
161.02278	3.7
161.05940	0.8
163.03836	1.8
165.01830	3.7
167.03430	1.3
167.20738	0.8
179.03290	2.5
183.02791	2.5
187.03865	1.4
189.05327	1.2
191.03346	1.1
195.02832	1.8
203.03290	1.1
205.04797	1.4
213.05443	1.3
217.04959	5.5
219.02863	1.8
227.06857	1.8
229.04977	5.1
231.06358	1.3
237.01367	1.0
241.04811	2.5
243.02696	1.6
243.06480	1.5
244.07378	1.9
255.06186	1.5
259.05920	4.4
261.03845	4.5
268.07123	0.9
271.05972	7.5
272.06763	10.2
275.05286	1.0
283.05750	1.6
287.05484	35.0
287.08728	2.2
288.05771	2.2
295.05750	1.3
297.07260	1.3
299.05457	82.0
300.06213	35.0
301.06702	3.7
311.01971	1.2
311.05463	21.5
313.03729	1.1
313.07031	20.1
316.31277	1.0
323.05222	2.3
324.06183	4.3
325.07010	6.3
327.04733	3.5
329.06491	100.0
330.06641	3.4
339.04944	1.8
339.08557	19.7
341.06436	5.9
343.07986	1.7
353.02301	1.7
353.06461	25.4
354.06833	0.9
359.07584	6.4
365.06418	1.3
367.08081	4.9
371.07458	2.0
383.07568	18.3
395.07550	12.7
396.08078	1.0
413.08618	37.1
413.14166	1.7
431.09689	54.7
432.09720	1.5
447.20169	0.9
449.10446	67.0
450.10965	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
50.91268	0.9
65.15115	0.9
68.99796	1.7
69.20447	0.9
69.67160	1.0
71.07453	1.1
71.07783	1.5
73.62519	0.8
79.01842	4.4
81.03413	3.4
85.02898	2.2
97.02931	0.9
109.02863	2.3
112.84836	0.9
135.04410	3.8
136.05190	2.5
137.02333	21.4
137.03345	1.1
138.03078	1.0
141.01816	1.3
161.02365	3.7
161.05991	1.6
163.03914	2.2
165.01788	4.6
171.02887	1.5
177.01817	1.1
179.03404	2.0
183.02870	2.4
189.05428	1.3
191.03351	1.7
195.02844	1.1
201.05455	1.7
203.03432	1.9
217.04956	5.6
219.02847	1.0
226.06320	1.5
227.07010	1.8
229.04950	6.1
233.04333	1.2
243.02856	1.2
243.06508	3.0
244.07266	2.0
254.05684	1.3
255.06778	1.6
259.06003	4.3
261.03970	2.6
271.06000	10.0
272.06766	12.6
275.05374	1.0
284.06812	1.4
287.05484	3.8
295.06006	1.8
299.05463	76.7
300.06241	50.7
301.06989	3.7
311.05481	16.1
313.07010	24.1
314.03976	1.8
321.07474	1.0
324.06165	4.7
325.07062	5.4
327.04880	2.8
329.06512	100.0
330.06879	1.8
337.06964	1.4
339.05014	1.7
339.08612	20.5
341.06393	5.5
343.08182	1.3
353.06543	19.8
359.07605	6.2
365.06693	1.5
367.08188	5.1
371.07739	2.0
383.07535	16.3
386.13925	1.1
395.07562	9.5
413.04330	0.8
413.08615	32.8
431.09674	48.6
432.10056	1.3
449.10767	70.9
450.10815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01864	0.1
56.96790	0.1
57.68928	0.1
67.01855	0.6
68.99775	0.3
70.71818	0.3
72.47472	0.1
85.02882	0.1
86.14217	0.1
93.35719	0.1
101.14093	0.1
106.53548	0.1
117.03390	0.2
129.01862	0.1
135.04404	1.7
137.02315	0.7
153.01811	4.9
157.06555	0.1
157.54974	0.1
161.02354	0.4
171.02879	0.5
179.03442	0.3
185.06139	0.1
186.37373	0.1
229.08525	0.2
241.04895	0.3
269.04483	0.5
286.04935	0.1
287.05463	100.0
288.05817	3.0
299.05499	1.5
300.06158	0.2
329.06458	0.4
413.08926	0.1
431.09509	0.2
449.10800	2.4
450.11102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03933	1.2
53.73361	0.9
55.97203	0.8
56.86353	0.7
57.03414	1.2
60.04507	1.0
61.02917	2.1
67.05497	0.9
67.44700	0.8
68.99774	1.2
69.03419	4.2
69.59099	0.9
70.06572	1.2
71.52471	0.7
71.52870	0.9
74.06065	0.8
81.03399	3.4
85.02895	11.1
86.09696	2.3
87.04456	1.0
97.02908	4.0
105.03397	1.0
105.77415	0.8
106.06577	1.4
107.04909	1.2
109.02901	1.5
121.02824	1.5
123.04398	2.0
127.03890	3.2
130.06541	0.9
130.80800	0.9
135.04340	1.3
137.02313	1.7
139.03870	1.6
145.04903	1.8
147.04375	1.4
147.34209	0.9
149.02322	2.6
151.03915	1.0
151.91808	0.9
153.01810	15.2
157.06433	1.2
161.02309	2.3
163.03902	2.6
167.06883	0.9
171.02982	1.0
175.03825	1.3
185.05956	1.0
189.05563	1.1
203.03381	0.9
203.07025	1.2
213.05472	3.4
217.04884	1.0
231.06465	5.5
233.15189	0.9
241.04921	9.2
259.06094	1.9
269.04440	3.7
287.05469	100.0
288.05820	2.6
299.05447	3.2
318.10526	1.2
329.06516	4.0
353.06601	1.2
413.08920	0.9
431.09518	1.2
449.08966	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	449.1073
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01849	0.4
68.99782	0.3
69.99956	0.7
77.73835	0.1
79.31659	0.1
85.12797	0.2
89.03915	0.2
107.04898	0.2
117.03356	0.2
129.01778	0.2
130.70192	0.2
135.04376	1.5
137.02313	0.6
153.00565	0.3
153.01810	4.8
161.02313	0.5
171.02843	0.4
179.03346	0.2
241.04921	0.4
254.23810	0.2
269.04337	0.4
287.05460	100.0
288.05820	3.5
299.05582	0.6
300.06039	0.3
329.06680	0.7
353.06570	0.2
405.97739	0.1
407.59869	0.2
413.08444	0.2
430.72229	0.2
431.09464	0.5
449.10834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
53.01108	0.1
67.01839	0.4
67.99733	0.2
68.99767	0.4
69.03397	0.2
70.65429	0.3
70.65757	0.3
79.05438	0.2
84.88842	0.2
85.02873	0.4
92.74857	0.2
106.30747	0.2
117.03368	0.4
129.01797	0.2
135.04407	1.8
136.90552	0.2
137.02315	0.7
153.01813	5.6
155.82191	0.2
161.02296	0.5
171.02837	0.5
179.03323	0.3
241.04897	0.7
247.74911	0.2
263.05487	0.2
269.04337	0.3
287.05475	100.0
288.05792	3.6
299.05481	0.7
300.06363	0.4
329.06464	0.8
339.08914	0.2
359.07938	0.2
413.08646	0.2
431.09811	0.3
449.10767	19.9
450.11240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01870	7.6
55.05273	2.1
55.05505	26.5
57.03428	10.0
59.38147	1.4
59.43393	1.3
65.03915	3.3
67.05498	51.1
68.20245	1.4
69.03408	3.3
69.07065	14.0
69.40268	6.4
69.40690	5.3
71.01340	2.5
71.04990	6.8
71.05325	1.3
79.05485	52.0
81.03410	59.8
81.06596	2.2
81.07050	37.7
83.04959	8.3
83.08606	18.5
85.06527	2.7
91.05465	45.5
92.51554	1.4
93.07035	41.9
95.04375	3.0
95.04955	43.2
95.08605	18.7
97.02882	3.3
97.06507	7.3
97.10162	12.9
103.05407	1.5
105.07018	32.1
107.04954	16.4
107.08578	25.5
109.06503	5.5
109.10152	11.3
111.04399	3.5
111.08070	7.2
115.05457	2.8
117.07018	14.5
119.04925	2.9
119.08568	19.4
121.06490	12.0
121.10135	11.5
123.08032	5.2
125.09642	11.4
128.06236	2.6
129.06998	15.8
131.04933	3.4
131.08562	19.3
133.06500	8.4
133.10127	9.8
135.08044	4.6
135.11671	29.9
137.09546	1.6
141.06981	4.4
142.07759	3.2
143.08553	8.1
145.06505	9.2
145.10089	14.3
147.08038	8.3
147.11661	6.9
149.02361	2.5
149.09628	7.2
155.08534	4.3
157.06558	1.6
157.10107	9.7
159.08099	2.8
159.11696	7.2
161.09630	3.5
161.13217	2.0
163.11163	9.1
165.12740	2.5
167.08530	1.8
169.10149	4.7
170.72691	1.5
171.11681	4.7
173.11772	2.0
173.13272	2.1
175.11189	9.2
175.69235	1.4
177.12778	2.9
181.12219	5.1
183.11700	4.9
185.13220	5.6
187.11166	5.6
189.11224	5.5
193.12204	22.2
195.11623	2.8
201.12671	2.4
203.14305	6.5
205.12175	4.0
223.13281	2.6
225.12729	2.0
227.12799	5.3
231.13795	2.2
231.23393	1.6
239.14197	1.6
243.13776	1.6
249.14899	4.5
257.15384	1.5
261.14816	2.2
271.06006	1.9
275.16452	1.5
311.20053	2.4
327.23209	2.3
329.21045	8.2
337.21698	6.9
345.24142	2.0
355.22595	20.1
359.02118	1.6
373.23685	12.3
403.24725	10.9
411.25418	2.2
429.26443	13.7
447.10831	2.7
447.27356	100.0
448.27670	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	447.0918
Annotation	Baicalin
Peak:m/z	Relative Intensity
52.62268	0.1
57.03431	0.1
59.72137	0.1
65.03928	0.1
67.01859	0.7
67.05489	0.1
68.99753	0.4
69.03406	0.1
70.06557	0.1
70.68378	0.2
70.68718	0.1
72.12750	0.1
73.02882	0.1
80.13815	0.1
81.03373	0.2
83.01308	0.1
83.04967	0.1
84.08118	0.1
85.02879	0.2
86.09702	0.3
90.58380	0.1
91.01855	0.1
91.05422	0.5
95.04939	0.1
97.02881	0.1
105.07025	0.1
109.02882	0.1
119.04118	0.1
119.04929	2.1
121.02867	0.8
121.06516	0.1
123.04419	0.1
125.02361	0.1
127.03901	0.1
129.01799	0.2
135.04396	0.1
139.03897	0.1
141.01802	0.1
141.06927	0.1
144.97276	0.1
145.02843	0.7
151.03816	0.1
153.01808	5.1
154.02051	0.1
163.03891	0.8
169.06499	0.1
171.02849	0.6
177.05386	0.1
179.03293	0.3
187.03865	0.2
191.03413	0.3
193.12239	0.1
197.04396	0.2
197.06065	0.1
203.03461	0.1
203.07039	0.2
205.04947	0.5
214.69148	0.1
217.04900	0.1
225.05478	0.4
229.05000	0.4
233.04387	0.6
243.06491	0.3
245.04379	0.3
247.06023	0.3
253.04842	0.1
254.05606	0.1
257.04395	0.1
263.05478	0.1
271.05966	100.0
272.06290	2.0
275.05453	0.2
285.07483	0.2
315.08405	0.4
327.08591	0.4
369.09534	0.4
373.76776	0.1
381.09714	0.3
411.10431	0.1
427.24942	0.1
447.08734	1.6
448.09378	0.1
455.59915	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Cytisoside
Peak:m/z	Relative Intensity
53.03952	1.0
55.01869	1.7
55.05526	1.7
57.03433	1.3
57.31881	0.8
61.02908	1.1
67.05492	1.9
69.03416	1.4
69.07071	1.3
69.27364	0.7
69.27682	9.3
70.06595	1.2
71.04981	1.2
78.06629	1.0
79.01855	2.3
79.05493	2.1
81.03423	2.5
81.07036	2.4
83.04954	1.1
83.88123	0.8
84.08144	1.0
85.02904	2.7
86.09701	1.8
91.05437	1.7
93.07030	2.4
95.04984	1.9
97.02894	1.0
105.03376	1.0
105.07033	1.5
107.04939	1.2
107.08576	1.0
109.02860	1.5
110.47899	0.8
114.09170	1.1
119.04942	3.2
121.02855	17.5
122.09098	0.8
123.04463	1.1
125.02347	1.2
125.78652	0.8
127.03925	1.1
145.02859	2.1
145.10066	0.9
147.04420	2.0
149.02335	2.3
151.04005	1.1
153.01781	1.4
159.11703	1.2
161.02359	2.5
163.00328	1.0
163.03923	1.9
166.23207	0.9
167.03424	4.0
171.02916	1.0
178.99869	1.1
179.03374	7.3
179.06958	1.0
181.04988	0.8
191.03378	1.3
191.07094	1.1
193.01329	1.1
193.04955	1.4
197.00784	7.5
197.04501	2.2
197.06042	1.2
201.05486	2.7
205.04997	1.1
213.05489	2.9
219.06580	1.4
225.09169	1.0
227.07021	1.5
229.05042	1.6
231.06512	3.9
232.73114	0.9
237.00284	1.5
238.72269	0.9
247.02344	0.9
255.06598	2.3
257.04471	3.1
259.06131	1.6
263.02048	1.7
268.19916	1.0
269.05167	0.9
269.08194	2.9
270.08908	3.4
271.05994	6.2
273.07556	1.2
275.05347	4.2
279.06604	1.0
281.03003	1.9
281.08069	2.5
283.06119	3.3
284.06757	3.1
285.07483	6.9
293.08011	2.4
295.06018	2.3
297.07529	100.0
298.08273	40.3
298.11707	1.7
299.05682	1.6
299.09125	3.8
309.04105	1.1
309.07529	22.1
310.07684	1.2
311.09073	22.5
315.08853	1.3
321.07455	1.3
322.08459	3.9
323.08984	6.4
325.07202	2.6
325.10760	1.5
327.08582	99.2
328.09125	3.2
337.07059	2.7
337.10651	26.9
339.08502	6.6
341.10266	2.1
351.08585	23.1
357.05908	1.3
357.09705	7.2
361.02115	1.0
363.08612	1.9
365.06839	1.1
365.10443	7.5
369.09842	2.0
381.09665	17.2
383.07190	0.9
393.09628	13.7
401.08618	7.8
411.10730	42.9
412.11066	1.3
429.11795	66.1
430.12097	2.4
447.12927	73.2
448.13162	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	447.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01851	0.9
55.05497	4.2
57.03421	1.5
61.02904	1.6
65.03935	1.0
67.05499	4.6
69.03396	1.3
69.07049	2.5
70.06587	0.9
70.26654	0.6
71.04994	0.6
71.53131	0.9
79.05495	9.1
80.05001	2.1
81.03392	2.5
81.05771	4.5
81.07051	7.8
83.04932	1.3
83.08616	1.1
85.02873	2.2
91.05441	5.7
93.07036	4.7
94.06542	1.6
95.01291	1.7
95.04951	3.3
95.08567	2.2
96.08116	13.9
97.02884	0.8
97.06516	1.3
97.10166	1.2
103.05436	2.8
105.07013	5.6
106.06538	3.2
107.04923	2.3
107.08572	2.3
109.06481	1.1
109.10127	2.3
111.11687	0.7
117.05773	1.5
117.06992	2.1
118.06528	11.0
119.07309	17.8
119.08582	2.0
120.08091	37.8
121.06469	2.0
121.08840	2.7
121.10110	2.1
122.06005	0.8
123.08026	1.0
124.07574	51.0
127.03945	0.9
129.07004	1.6
130.06497	1.7
131.07426	0.8
131.08546	2.8
131.94756	0.8
132.08063	2.8
133.05211	4.3
133.06413	1.0
133.10144	1.8
134.05977	1.8
135.08014	0.9
135.11700	1.0
136.07532	0.9
137.06020	0.7
145.06429	0.8
145.10109	1.7
146.05992	15.6
147.05597	1.6
147.06779	30.2
147.07903	1.1
147.11671	1.6
148.07550	49.4
149.02330	1.3
149.08307	4.7
149.09491	1.4
157.10068	1.6
158.05994	1.7
159.07982	1.2
160.07558	6.0
162.05467	5.6
162.09145	1.3
163.11128	1.1
169.10132	1.3
172.07472	0.7
174.05519	0.9
176.07042	19.0
177.07790	2.3
181.04871	1.0
182.09598	0.7
186.05496	3.7
186.09125	1.2
188.07080	2.6
189.11096	0.7
190.08524	1.2
193.12192	0.9
198.12709	1.4
200.06946	1.0
201.10185	2.6
202.08568	1.4
203.14296	0.8
203.96082	0.7
204.06425	3.6
205.07309	2.5
206.04509	0.8
206.08087	1.1
213.10118	0.8
214.08684	1.0
216.06551	1.5
218.08234	0.9
222.07616	0.8
227.11780	1.2
228.08939	1.5
228.12439	1.2
229.13347	8.1
230.09959	1.1
232.05986	8.5
234.07619	2.1
241.09477	0.9
242.08250	1.2
242.10536	4.1
243.11186	4.6
243.14763	3.8
244.15660	1.1
255.11110	2.0
256.11874	4.4
257.12814	100.0
258.13141	2.3
262.06937	1.0
271.06036	2.0
271.14374	29.5
272.15161	38.2
273.15692	1.7
294.09686	11.0
296.11307	4.5
306.09708	4.9
322.09146	28.1
323.09717	1.3
324.10739	25.6
355.22580	1.8
373.23605	1.1
429.16455	1.7
429.26318	1.9
447.11581	1.2
447.17575	19.5
447.26978	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	445.3672
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05515	32.4
55.05747	7.8
57.07067	43.0
58.82876	5.8
65.03917	6.1
67.05491	34.1
69.07063	66.5
71.01351	6.8
71.05000	8.7
71.08640	38.1
79.05473	32.3
80.58827	6.7
81.07043	100.0
83.08617	43.8
85.10178	22.3
91.05477	18.7
93.07014	54.4
95.08592	93.7
97.10176	26.3
105.07023	64.0
107.08570	63.1
109.06456	10.2
109.10144	64.4
111.11698	25.3
117.07032	9.2
119.08597	45.5
121.10151	49.6
123.11713	22.6
131.08551	50.3
133.10115	50.4
135.11688	30.9
137.13242	13.5
139.07471	7.7
143.08571	11.7
145.10112	47.3
147.11684	34.8
149.13260	25.1
155.07031	24.2
157.10136	13.7
159.11670	45.4
161.13220	21.7
163.14815	15.6
165.09126	24.7
171.11711	14.6
173.13266	15.2
175.14784	17.9
177.09085	10.6
185.13240	16.0
187.14902	7.6
189.16267	16.3
191.10660	28.2
199.14821	7.3
201.16342	12.0
203.17960	9.0
205.12270	14.9
213.16374	6.1
217.19565	7.7
219.13788	7.9
227.14398	7.1
233.15417	13.9
235.28325	6.0
247.17087	9.8
247.24231	11.0
261.25726	9.0
287.19998	12.4
341.31943	6.9
343.33591	28.7
367.33765	8.5
385.34479	10.4
386.52560	8.1
427.35709	50.8
445.36710	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44690	1.9
55.05501	5.5
57.07068	5.5
67.05486	9.0
69.07061	6.6
70.71101	4.9
70.71426	2.0
71.08621	5.3
79.05482	2.6
81.07042	17.4
83.08599	5.8
91.05457	4.8
93.07015	7.3
95.08606	13.5
97.10159	3.5
105.06995	10.5
107.08582	17.2
109.06499	8.3
109.10131	6.0
111.08092	5.7
119.08563	11.3
121.06497	4.3
121.10122	6.7
123.08053	4.8
128.06224	2.2
129.06963	4.6
131.08565	3.6
133.10104	9.3
135.08029	8.7
139.07526	5.7
143.08530	13.0
145.10115	5.4
147.08008	7.3
147.11627	5.1
149.09644	5.1
157.10101	3.9
159.07893	2.5
160.08842	5.2
161.09593	29.3
162.10373	6.4
165.09091	3.8
171.11716	6.5
175.11154	7.4
175.14728	3.5
189.12715	15.8
189.16368	3.4
199.29967	2.0
211.36014	2.3
217.15858	52.9
445.36719	100.0
446.37451	5.0
450.01544	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	446.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17865	0.8
56.05053	0.7
56.08962	0.6
63.69862	0.8
67.05497	0.8
69.03416	2.2
69.07050	1.3
70.06580	4.2
71.52434	1.2
72.08144	2.7
81.03377	1.4
83.06081	0.7
84.04506	1.0
84.08147	1.8
85.02892	3.0
86.09700	10.6
86.24833	0.6
87.00819	0.7
91.05828	4.1
95.05010	1.0
97.02857	1.6
103.05460	32.8
107.04932	1.9
109.02864	1.1
110.07169	0.9
116.07056	0.6
120.08122	0.7
122.03212	0.7
123.04426	2.0
127.03908	2.3
129.10266	0.8
131.04918	100.0
132.52586	0.7
139.03877	1.3
144.48251	0.7
145.02750	0.8
146.14314	0.7
149.06006	1.9
151.03865	1.1
157.10088	0.7
159.08069	1.7
159.09349	0.7
161.05978	3.2
163.07533	36.9
167.05550	1.2
168.05756	0.6
171.11316	0.7
173.12862	2.1
177.05472	2.4
177.09084	0.8
181.03432	0.8
189.09096	6.5
191.10728	1.9
196.06964	1.3
201.12445	0.9
205.08636	1.4
207.06511	1.6
207.10181	0.7
208.06926	1.3
225.04248	0.9
248.10060	1.1
266.11057	0.8
335.17883	0.7
360.02942	1.9
361.02988	0.7
392.16776	0.9
433.98468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21815	1.3
51.34011	1.3
53.03929	3.1
55.01850	3.9
55.05503	17.2
57.03425	2.2
62.50331	1.2
65.03931	2.5
67.05141	2.0
67.05495	37.9
69.03405	1.8
69.06721	1.6
69.07053	14.6
71.04958	2.4
71.53310	1.9
73.04714	1.9
74.20017	1.4
77.91718	1.4
79.05482	35.4
81.03410	2.0
81.06603	2.8
81.07046	35.2
81.07516	1.8
83.04961	3.7
83.08601	8.1
85.06518	2.4
91.05445	47.3
93.07031	35.8
95.04939	5.6
95.08599	27.9
97.06504	5.4
97.10120	2.9
100.94939	1.4
101.49233	1.7
105.07020	42.7
105.82475	1.2
107.04910	4.0
107.07970	1.6
107.08590	15.0
109.06492	3.3
109.10149	12.0
111.08051	2.3
111.49881	1.4
115.05411	4.1
117.07001	23.3
119.04846	1.6
119.08562	28.8
121.06486	5.3
121.10114	9.5
121.15495	1.3
123.08080	3.4
123.11665	2.7
125.09551	1.3
128.06184	4.3
129.06990	19.8
130.07806	1.4
131.07610	2.1
131.08556	34.3
133.06424	2.9
133.10100	14.6
135.07993	2.3
135.11656	5.9
135.18616	1.4
137.00018	1.4
137.09618	2.1
141.06927	5.4
142.07716	1.6
143.08548	15.5
145.06433	4.3
145.10098	21.7
147.07993	5.2
147.11650	5.8
149.09595	3.4
149.13242	1.5
151.11177	2.7
153.07016	1.9
154.07733	1.9
155.08528	8.6
157.10078	13.5
159.07974	1.8
159.11674	9.5
161.09554	3.0
161.13200	2.6
163.11154	2.0
167.05489	3.1
167.08517	3.2
169.10080	7.6
171.11638	6.6
173.09529	1.5
173.13274	3.2
181.10094	6.2
183.11664	5.6
185.09546	1.8
185.13225	7.0
187.11147	1.8
187.14732	2.8
195.11662	3.7
197.13217	4.9
199.11192	1.7
199.14749	2.4
201.12709	2.4
203.63394	1.4
209.13159	3.9
211.14713	3.4
213.12628	1.6
215.14337	2.4
217.15688	1.8
223.14717	3.8
225.16246	2.0
227.14372	1.7
233.15344	1.9
237.16383	1.8
241.15807	2.9
243.17563	2.4
247.16872	2.7
255.17386	2.2
259.16895	2.7
261.18411	2.3
273.18396	1.5
290.32739	1.4
306.69342	1.4
325.25232	3.6
335.23599	5.6
343.26181	4.3
353.24759	21.2
359.02667	2.0
371.25833	20.3
372.25867	2.4
389.26938	15.6
427.28470	7.2
445.29391	100.0
446.29651	5.0
469.24655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01871	2.2
55.05512	16.9
55.91315	1.3
57.03419	4.7
57.07058	2.7
57.57149	1.3
59.20134	1.3
63.53756	1.5
65.03926	3.4
67.05497	45.2
69.03430	3.1
69.07072	13.5
70.71350	4.7
71.04984	4.7
79.05489	34.3
81.03409	3.3
81.06590	3.0
81.07047	38.0
82.07407	2.0
83.04982	2.7
83.08601	5.5
85.06524	1.6
91.05441	51.4
93.07035	32.2
95.04958	6.7
95.08594	28.2
97.02902	1.8
97.06513	4.8
97.10143	3.9
99.08076	2.1
103.05475	1.6
105.04468	1.8
105.07021	46.5
107.04951	6.4
107.08588	17.5
109.06487	5.0
109.10137	8.8
111.08090	1.9
115.05465	4.3
117.07005	22.0
119.08552	25.9
121.06499	8.2
121.10116	11.4
123.08047	3.2
123.11631	1.7
125.09573	3.5
128.06216	4.4
129.06984	18.9
130.07755	1.8
131.08548	37.3
133.06483	5.4
133.10147	16.0
135.08040	4.5
135.11687	3.3
136.86606	1.4
137.05956	1.8
137.09616	3.3
141.06970	7.3
142.07747	2.0
143.08548	18.4
145.06473	4.4
145.10085	20.2
147.08017	5.5
147.11688	4.9
149.09627	3.9
151.11124	2.3
155.08530	9.7
157.10144	10.9
159.08102	3.4
159.11667	9.2
161.09639	2.8
161.13287	1.8
167.08553	3.9
169.10037	9.1
171.11658	7.9
173.09622	2.1
173.13248	3.6
175.11089	2.7
177.12746	1.7
179.08563	1.8
180.66763	1.5
181.10103	5.4
183.11708	6.0
185.09671	1.4
185.13084	3.2
187.14790	4.2
195.11731	8.6
195.13176	1.5
197.13258	6.1
199.14847	3.7
201.12859	1.8
209.13255	3.4
211.14838	5.1
213.12828	1.6
213.16437	1.8
215.14148	2.0
221.13310	1.5
223.14847	2.8
225.16342	2.5
233.15199	1.8
237.16405	1.9
247.17035	2.0
255.17432	1.8
259.16824	2.3
269.19125	2.2
307.24097	1.8
325.25076	4.2
335.23596	7.8
336.45163	1.5
343.26169	7.4
353.24719	26.0
359.02985	3.1
371.25781	23.0
389.26813	16.0
427.28302	4.8
445.29428	100.0
446.29660	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	445.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
69.03397	0.4
70.06570	1.2
71.70866	0.4
72.04484	0.4
72.08137	0.8
74.00659	0.6
76.03979	1.2
79.05485	0.5
81.03398	0.4
82.32114	0.3
84.04497	6.6
85.02881	1.5
85.04004	1.3
86.09669	1.0
92.01682	0.4
94.06552	1.8
94.68855	0.4
97.01073	0.5
97.02868	0.7
99.02652	1.5
99.05561	0.7
101.58970	0.4
106.06564	0.6
107.04929	0.4
108.08091	1.5
109.08909	0.9
110.06040	0.6
110.09679	0.5
110.81067	0.4
111.02624	0.6
113.03511	0.5
118.06516	0.8
119.07309	1.4
122.06004	4.9
124.02152	0.5
125.02926	0.7
126.03744	1.9
127.02142	0.6
127.04527	0.7
130.04980	3.9
131.04520	0.9
135.02644	0.5
136.07533	1.3
137.08350	34.9
138.09137	8.7
140.10664	1.7
142.03214	0.5
142.06821	0.8
145.06059	0.8
152.05272	5.1
161.05969	1.8
170.06335	100.0
171.06645	1.6
172.07904	1.2
177.03258	4.8
177.05469	0.9
179.07030	0.7
181.06029	0.5
185.03725	2.0
189.05380	1.8
195.06567	2.6
196.07906	9.9
206.06334	1.4
207.06520	6.8
213.10596	2.3
223.09114	1.8
224.07391	13.0
229.08575	0.6
231.04306	5.1
241.10042	5.7
247.09583	2.1
265.10672	4.0
276.52356	0.3
279.11572	1.8
283.11746	6.1
288.06430	1.0
306.07681	0.7
316.13266	6.9
327.52582	0.4
352.13159	1.1
359.02905	0.6
370.14426	1.0
445.17441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12598	1.4
53.03926	4.8
54.75915	1.3
55.01867	3.9
55.05504	19.5
57.03418	4.9
57.07059	1.4
65.03932	2.5
67.05496	51.6
68.23761	1.4
69.03400	1.7
69.07069	13.9
70.30923	5.6
71.04984	3.8
73.04753	2.2
79.05479	39.9
81.03407	2.4
81.07041	50.3
83.04961	3.6
83.08606	9.4
85.06516	3.1
91.05449	55.6
91.39157	1.5
93.07027	41.6
95.04955	9.5
95.08591	29.9
96.36267	1.8
97.06514	6.7
97.10146	4.6
99.08067	2.0
103.05447	2.6
105.03362	1.7
105.04510	1.6
105.06306	2.8
105.07015	54.1
107.04944	6.0
107.08578	22.6
108.43292	1.3
109.06514	5.7
109.10145	7.8
111.08038	3.0
112.99981	10.2
113.09583	1.5
115.05454	4.4
117.07003	28.3
119.08569	32.1
121.06512	5.8
121.10113	15.7
123.08056	3.0
128.06198	4.4
129.06967	19.9
131.08540	47.9
133.06480	2.7
133.10109	19.6
135.08084	2.9
135.11694	5.8
137.06003	1.9
141.07011	8.8
142.07750	3.4
143.08516	16.1
144.09410	2.1
145.06505	1.7
145.10107	26.6
147.08076	4.9
147.11659	8.0
149.09612	4.1
149.13242	3.0
151.11145	1.5
154.07716	1.5
155.08553	9.2
157.10115	13.9
159.07959	2.4
159.11658	15.2
161.09709	2.0
161.13257	5.5
163.11165	2.0
167.05548	3.4
167.08554	5.6
169.02576	3.5
169.10132	10.0
171.11664	10.7
173.09619	3.0
173.13258	4.7
175.14696	2.3
177.12756	1.6
181.10126	4.8
183.11609	8.1
185.13181	7.5
187.11140	3.2
187.14786	3.9
189.12743	2.4
195.11685	3.8
197.13225	3.8
199.11189	2.0
199.14845	3.6
201.12729	2.6
209.13235	4.2
211.14853	4.5
213.16278	2.2
215.14473	2.7
225.04227	2.4
225.16396	1.5
227.14502	2.0
227.17752	1.7
233.15353	3.2
241.15895	2.6
241.19456	3.7
245.15486	1.5
247.17023	2.3
259.20639	3.1
261.18445	2.8
273.18472	2.9
325.21539	2.0
325.25229	3.2
333.24255	8.2
335.23532	8.1
340.04343	1.6
343.26157	8.0
353.24713	20.9
359.02747	3.3
371.25717	21.0
389.26791	17.9
415.67328	1.5
427.28497	5.6
445.29419	100.0
446.29861	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	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01872	0.8
55.05488	1.1
57.03424	0.9
61.02906	0.9
67.05482	1.0
68.99804	0.7
69.03429	4.4
69.07033	1.1
69.87594	1.0
69.87998	1.8
70.06579	1.9
71.04987	0.9
72.08136	1.3
73.02897	0.8
73.04729	1.4
79.05479	1.4
81.03404	4.9
81.07049	1.2
84.04462	0.6
84.08141	0.9
85.02430	0.8
85.02897	7.4
86.09686	4.0
87.00831	2.6
91.05451	3.1
91.05862	1.4
93.07034	3.7
94.23068	0.5
95.04949	1.6
95.08593	1.5
97.02880	4.8
99.04431	1.9
105.01868	2.1
105.07014	6.8
107.04910	0.6
107.08582	39.9
108.08894	0.7
109.02878	5.9
109.06507	1.3
109.10130	2.8
117.07016	0.6
119.08579	2.8
121.06509	1.7
121.10110	1.5
123.11684	0.9
127.03915	6.3
129.01819	0.6
131.08522	1.1
133.10110	20.9
135.11679	6.2
137.05911	1.0
137.09558	1.0
145.04942	1.0
149.09555	0.6
151.11189	2.5
159.02885	1.5
161.09612	7.8
167.05551	1.6
167.10678	2.4
179.10663	12.7
187.84990	0.5
197.11713	100.0
198.12030	2.7
211.36653	0.5
213.04013	0.7
225.04205	0.8
227.02156	0.6
231.04968	1.5
261.65411	0.5
283.05991	2.3
313.07260	0.6
359.02789	1.9
445.11548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1704
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
53.03937	2.3
55.01860	2.7
57.03407	2.5
61.02900	3.0
69.03410	6.3
69.32267	1.8
69.64780	11.0
70.06566	9.3
72.08129	7.8
73.04737	6.7
78.47721	1.7
79.05447	2.3
81.03407	6.7
84.04475	6.1
84.08141	2.0
85.02897	19.2
86.09706	13.3
91.05811	23.6
97.02862	4.9
98.20717	2.3
105.07010	4.5
107.04926	5.0
109.02810	2.2
114.05477	3.4
114.36797	2.0
117.06987	3.2
121.02835	3.2
121.06564	2.4
121.15971	2.0
122.05988	4.1
127.03840	4.0
129.10201	2.4
130.04959	2.2
131.04837	2.6
133.06485	11.6
135.04399	3.3
137.08336	17.9
138.09097	6.3
139.03944	2.2
143.04929	2.6
145.04964	3.9
149.05968	5.7
161.05984	33.4
163.03897	2.2
164.23679	2.2
165.05521	1.9
167.05589	8.9
170.06325	54.2
173.09651	2.7
177.03259	2.2
177.05493	19.0
179.07057	5.4
186.06636	2.5
187.07564	3.2
189.05431	31.7
195.06496	34.1
196.07901	5.8
201.05449	4.4
201.09070	7.3
203.06964	2.1
205.08577	4.2
207.06508	100.0
213.15927	2.9
215.06999	2.3
216.07608	3.2
217.08568	3.5
219.10127	2.2
220.86252	1.8
224.07397	8.3
225.04236	4.1
229.08525	14.1
231.04230	3.4
235.09552	2.9
241.09946	3.9
247.09631	38.6
249.07494	4.9
251.09213	2.3
252.09306	3.7
265.10675	59.3
265.13528	3.3
277.10687	2.5
283.11746	81.4
284.11893	2.0
295.11725	3.6
303.08438	2.1
307.11771	2.8
312.08664	2.8
316.13120	5.6
342.99771	3.3
349.12683	3.5
359.02924	12.4
359.06949	2.4
388.11899	1.9
391.13696	2.5
393.81732	1.8
406.22305	2.2
427.15652	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.05487	1.2
57.03421	0.8
57.87873	0.7
61.02924	0.8
67.05475	1.0
69.03412	3.5
70.06589	4.5
70.33667	0.8
71.52299	1.2
72.08138	2.9
74.12012	0.8
79.05485	0.9
81.03394	2.2
81.07024	1.1
84.04465	1.7
84.08118	2.6
85.02896	8.4
86.09692	6.8
87.10061	0.8
91.05795	1.8
93.07017	1.0
95.01286	0.9
97.02843	2.3
105.07018	1.7
107.04946	1.1
107.08562	2.6
109.02859	2.8
119.04926	1.7
120.08096	1.4
121.06477	1.3
123.04436	1.1
127.03886	2.0
129.10191	1.5
131.04898	0.8
133.10156	1.3
135.04433	1.1
137.05910	1.2
137.46062	0.8
143.08524	1.4
145.04953	1.7
145.06477	1.0
145.10057	1.2
147.04370	1.8
149.05962	0.8
151.03899	1.0
155.08499	1.6
159.08041	0.9
163.03883	2.8
163.07477	1.3
164.04558	1.0
173.06047	1.6
173.09535	3.0
175.07597	1.1
177.05463	4.3
177.09047	1.8
178.16548	0.8
179.03368	1.0
179.10654	0.9
183.08011	1.0
187.03854	2.0
187.07471	1.7
189.05421	0.8
189.09042	1.1
191.03442	1.2
191.06984	1.0
193.04951	1.1
195.06480	2.1
197.11699	6.1
199.07509	1.0
201.05469	1.3
201.09128	4.1
203.07001	1.1
205.04984	2.9
205.08551	4.5
211.05872	1.4
217.08609	2.2
219.06548	1.3
219.10100	1.8
221.08041	1.1
222.05241	0.9
223.05946	1.7
229.08566	3.4
237.07530	1.8
237.11227	2.1
247.09650	11.7
265.10684	100.0
266.11047	3.2
276.12311	1.5
276.70703	0.7
287.02628	0.9
287.05521	8.6
323.60001	0.8
336.34470	0.7
340.42471	0.7
346.35074	0.7
359.02579	0.8
401.57034	0.8
427.15924	1.2
435.34283	0.7
444.29590	0.9
445.07593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91805	3.6
69.06229	3.7
70.06574	6.6
71.52256	6.1
72.60819	4.0
74.18221	4.5
82.44814	3.7
84.04497	4.3
85.77029	3.7
91.75160	3.8
107.48333	3.5
115.61636	3.7
166.25630	3.8
229.37018	5.3
242.01265	4.0
445.04889	5.3
445.11066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35907	1.0
53.03930	6.9
55.01845	3.8
55.05505	5.3
55.05722	1.0
56.34943	0.9
57.03415	4.1
61.02912	2.1
65.03899	1.4
66.50275	0.9
67.05498	7.3
69.03422	9.4
69.07071	6.2
69.17345	0.8
70.86060	2.5
71.04964	2.0
73.02892	1.8
73.04740	1.9
78.37234	1.0
79.05489	11.9
81.03411	11.9
81.06598	1.2
81.07051	18.2
83.04959	2.9
83.08616	1.9
85.02898	17.1
85.06526	1.3
85.26128	1.0
85.33875	0.9
87.00815	7.4
91.03960	1.0
91.05451	7.5
91.05868	3.0
93.07031	17.1
95.04956	13.3
95.08589	6.2
95.33089	1.1
96.04413	1.0
97.02885	10.9
97.06479	2.4
97.10164	1.0
99.04424	2.8
105.01825	4.2
105.04482	1.9
105.07013	9.8
107.04950	2.0
107.08582	18.9
109.02885	6.1
109.05809	1.5
109.06510	26.2
109.10135	7.4
111.04401	2.3
111.08028	1.2
117.06964	1.6
119.08566	3.9
121.06487	5.8
121.10107	2.3
123.04425	8.8
123.08049	13.5
123.11706	8.8
125.05930	3.2
127.03905	10.2
129.01855	1.1
129.06946	1.1
131.08551	3.7
133.10114	17.1
135.08031	6.0
135.11702	1.2
137.05905	2.4
137.09555	0.9
141.05441	14.6
143.08495	2.1
145.04956	3.7
145.06461	1.3
145.10126	2.2
147.04405	1.5
147.08060	1.2
147.11670	1.5
149.03183	1.0
149.09570	1.7
151.11162	100.0
152.11569	1.4
159.02811	3.8
160.39690	1.2
161.09576	12.9
165.09065	1.1
167.05495	2.3
169.10165	1.1
179.10643	94.3
180.10983	1.7
181.04944	3.7
197.11720	20.3
219.13715	1.8
225.04533	1.3
229.97774	1.1
231.04909	1.5
285.10019	1.3
331.10101	1.1
353.21045	3.9
359.02762	4.8
397.96408	1.1
445.25580	6.0
465.61392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.8
57.03438	1.2
60.57818	1.0
61.35821	1.1
66.10445	1.0
67.05479	1.9
69.07043	1.5
70.06575	1.2
70.11989	1.1
70.12261	5.4
70.28207	1.0
71.39413	1.0
77.55433	1.3
79.05478	1.8
81.07040	3.0
86.09679	1.2
88.47948	1.3
91.05421	2.1
93.07027	1.6
105.07001	2.1
107.04961	1.5
107.08630	1.8
117.06992	1.7
129.06952	1.4
130.07318	1.7
131.08580	1.9
132.08868	1.4
140.04939	3.2
143.08595	1.5
145.10089	1.6
154.06506	1.4
155.06013	19.1
157.07571	1.6
157.10089	1.7
167.05957	4.2
168.06851	3.2
169.07593	41.6
170.05978	5.6
179.06035	13.7
181.05164	1.2
181.07599	3.9
182.05988	1.7
182.08412	2.1
183.05516	18.0
183.09151	2.4
185.07109	11.6
193.07590	10.8
194.05995	3.5
195.05524	24.3
196.06296	13.4
197.07088	31.3
198.05524	7.5
201.06583	3.2
207.05515	9.7
208.06325	2.7
209.07089	4.8
210.07898	1.4
211.05040	3.5
211.08649	6.6
212.07037	1.2
213.06578	30.1
214.06996	1.5
221.07065	19.4
223.05066	2.3
225.06573	49.9
226.06947	2.3
227.08028	1.7
229.06081	23.3
237.06560	8.2
238.07387	6.5
239.04504	3.6
239.08125	27.8
239.10381	2.2
241.06012	2.4
243.07591	7.9
249.06500	8.0
253.06070	5.3
255.07610	2.5
257.05493	6.8
265.06113	2.7
267.07581	20.5
269.05579	4.4
270.05838	1.2
271.07114	33.0
276.86761	1.4
277.06140	11.3
285.08658	30.1
285.11600	2.1
295.07089	39.6
295.20822	1.4
312.09772	2.2
313.08142	30.9
313.11734	1.7
331.09204	8.1
338.15033	4.5
352.23340	2.5
377.81940	1.4
380.16037	12.6
384.15475	51.3
385.15915	2.5
398.17068	30.5
426.16577	43.0
426.26355	1.8
427.16956	2.4
444.17657	100.0
444.28140	7.4
445.18195	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.75689	1.5
55.05500	3.1
67.05494	5.6
69.07056	7.0
69.54051	10.4
71.08647	1.5
79.05486	4.1
81.07042	14.6
83.04965	3.4
83.08624	3.0
85.06512	1.4
91.05466	4.9
93.07053	8.5
95.04935	2.2
95.08596	20.8
97.10165	2.0
98.21517	1.6
105.07024	7.7
107.08592	13.8
109.06495	2.5
109.10145	11.6
119.08555	10.5
121.10113	10.1
123.11707	6.9
131.85912	1.5
133.10152	8.3
135.08032	3.8
135.11665	11.4
137.13261	4.8
145.10118	2.9
147.11641	6.0
149.09598	14.4
149.13237	3.6
151.59006	1.6
159.11632	2.6
161.13164	3.5
163.11154	2.0
163.14787	2.8
171.11723	1.9
173.13324	2.6
175.14775	2.7
177.16367	4.7
179.14276	2.1
189.16365	6.3
191.17932	4.4
199.89838	1.6
205.19388	1.7
207.11534	1.9
215.17935	2.7
233.19037	5.3
235.16899	6.0
246.47867	1.5
261.22028	1.9
287.23633	8.1
336.84149	1.8
423.36240	2.8
441.37238	100.0
442.37738	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	442.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.8
58.23658	1.0
59.85952	0.8
61.02902	2.0
65.03913	1.0
67.05481	1.6
69.03403	3.2
69.07061	29.1
70.06579	1.7
70.42684	3.3
72.08121	1.1
78.96196	0.9
79.05476	2.8
81.03418	1.8
81.07056	2.2
82.85726	0.8
84.04442	1.2
84.08057	1.0
85.02443	1.0
85.02903	10.5
86.09710	1.2
87.51867	0.9
91.03915	1.2
91.05453	2.2
93.07014	1.7
95.04962	1.0
97.02861	4.1
103.05462	3.8
105.07034	5.6
107.04923	1.0
109.02864	1.5
109.06512	1.1
112.19646	0.8
115.05434	2.2
117.03361	1.5
117.07031	1.5
117.70957	0.9
119.04931	2.2
121.10173	0.9
121.73289	0.8
123.07997	1.0
127.03851	1.9
128.06163	1.2
131.04878	2.6
131.08507	1.1
133.06453	5.1
137.05966	1.2
145.02802	5.6
145.04942	3.3
147.04387	6.4
149.05966	1.2
151.07527	1.8
161.05962	8.9
171.08057	1.1
177.05446	20.9
179.06976	1.8
180.08655	1.0
187.07516	3.4
189.05449	23.9
189.09047	1.4
195.06465	8.4
195.08060	2.9
203.07037	3.0
203.10626	1.7
207.06509	100.0
208.06874	2.6
215.06946	1.2
217.08614	6.1
227.10648	8.9
243.67346	1.0
245.11710	46.4
248.10393	1.9
263.12750	9.1
269.34073	0.9
319.62430	1.0
368.22745	1.5
442.26508	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	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01856	3.8
55.05505	14.5
57.03424	3.6
65.03919	1.3
67.05499	27.6
69.03429	1.7
69.07059	12.8
71.04977	2.7
71.53242	1.6
79.05484	22.0
81.03411	1.1
81.06590	1.8
81.07050	25.7
82.07370	0.8
83.04972	2.0
83.08607	9.9
85.06532	1.8
91.05470	28.7
92.05805	0.8
93.07034	20.1
95.04968	5.8
95.08594	16.6
97.06521	4.2
97.10150	2.1
99.08099	1.0
103.05458	1.8
105.04551	0.8
105.07018	22.8
107.04948	3.3
107.08577	9.2
109.06509	3.8
109.10146	7.3
111.08064	2.2
115.05443	4.8
116.06214	0.9
117.06229	1.6
117.07005	18.8
119.04918	1.3
119.08570	12.0
121.06504	4.5
121.10123	4.2
123.08060	3.6
123.11726	1.9
125.09585	1.5
127.03903	0.9
128.06201	9.2
129.06995	36.7
130.07785	0.9
131.04921	1.1
131.08549	27.2
133.06462	3.9
133.10104	7.2
135.08029	3.8
135.11618	1.7
137.09625	2.6
141.06970	13.5
142.07784	3.1
143.08548	28.0
144.09335	1.2
145.06482	5.9
145.10109	13.2
147.08040	3.6
147.11676	3.3
149.09619	3.4
153.06944	2.2
154.07751	2.5
155.03206	0.9
155.08537	25.7
156.09206	1.2
157.06456	1.9
157.10115	14.3
159.08041	4.5
159.11656	5.9
161.09612	2.5
163.11200	1.4
165.06984	2.8
165.12772	0.8
167.08545	11.2
168.09456	1.9
169.10112	12.8
171.08034	3.1
171.11656	8.5
173.09695	1.4
173.13231	2.3
175.11189	2.3
177.12782	0.9
178.07747	1.2
179.08565	4.5
180.09299	1.2
181.10100	10.0
182.10814	1.3
183.08089	1.9
183.11674	8.2
184.12166	0.8
185.09624	2.5
185.13211	5.7
187.11156	2.2
189.12614	1.1
193.10089	5.9
194.10947	1.5
195.11670	10.1
197.09613	2.0
197.13214	5.3
199.11134	2.4
199.14815	3.3
201.12794	2.0
207.11613	6.5
209.13243	7.3
210.13690	1.2
211.11142	2.5
211.14818	3.1
213.12727	3.1
213.16414	1.0
215.14357	1.7
219.11588	1.6
221.13234	6.8
223.14764	5.9
225.12770	2.5
225.16420	2.3
227.14311	3.4
229.15854	1.1
231.13850	1.5
233.13243	1.5
235.14861	5.6
237.16579	1.2
239.14308	4.6
241.15910	2.3
243.13838	1.2
247.14728	1.0
249.16431	1.9
251.14235	1.1
253.15878	6.3
255.17468	0.9
257.15442	2.5
259.16971	2.3
267.17307	1.2
269.15295	1.1
271.16858	5.6
282.87531	0.9
285.18469	1.2
305.22549	1.2
309.18497	1.0
315.21164	1.9
323.23569	4.9
331.18869	1.4
333.22003	11.6
334.22183	0.9
341.24741	4.8
351.23129	39.8
352.23334	1.8
369.24213	24.8
387.25253	9.3
389.24344	1.4
407.24539	2.3
425.26736	8.9
443.27884	100.0
444.28064	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	442.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79177	0.3
53.03928	0.8
54.03462	2.1
55.01859	0.9
55.05507	12.0
56.05027	0.9
57.03432	4.8
57.07069	7.4
58.02959	2.1
59.04997	3.9
60.04522	2.5
61.02927	0.5
67.05494	5.0
68.05024	5.8
69.03393	0.3
69.07061	9.2
70.06586	0.5
70.07377	0.4
71.04992	0.5
71.08624	3.1
71.45255	0.8
72.04510	23.8
73.02908	0.6
76.03669	0.4
76.04005	4.2
79.05493	3.9
80.04992	0.9
81.05785	1.3
81.07049	5.4
82.06573	7.2
83.04973	0.9
83.08608	7.5
84.04482	0.6
85.10167	1.4
91.05460	0.6
93.07009	1.8
94.06573	0.5
95.04916	0.5
95.08591	3.9
96.08112	3.6
97.06530	1.5
97.08905	10.1
97.10162	2.7
107.08576	1.3
107.17736	0.4
109.10136	1.6
110.09658	0.4
111.11733	1.0
114.09156	52.5
115.09516	0.7
121.10065	0.4
128.10667	0.4
135.11646	0.7
139.11275	0.3
140.10686	1.2
152.43440	0.3
158.11717	1.9
380.91974	0.4
406.36862	0.5
424.37808	12.2
442.38885	100.0
443.39182	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20896	5.3
51.38821	6.1
51.85593	6.2
53.03918	6.2
55.05490	20.2
57.07059	30.7
58.02955	40.0
60.04519	73.0
67.05486	19.3
68.04983	7.2
69.07043	26.3
71.08613	19.9
71.51956	11.9
72.04499	31.8
76.03992	65.6
79.05459	7.9
81.07023	32.6
82.06562	6.2
83.08603	17.1
90.05545	10.8
92.24775	5.9
95.08586	24.0
97.10141	10.1
98.06041	7.2
102.01431	6.8
107.08582	5.6
109.10123	12.1
114.09132	28.2
140.10715	6.8
148.70805	6.0
160.54977	6.5
180.01114	6.7
203.57770	6.1
244.44830	6.0
326.30292	28.4
344.31540	63.6
353.62469	6.2
398.04312	7.7
424.37674	10.1
442.38864	100.0
467.69620	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	441.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23193	1.1
53.03918	1.8
55.01855	5.8
55.05510	13.0
57.03417	1.9
58.89119	1.0
59.45782	1.0
61.02880	1.3
62.72892	0.9
67.05498	15.4
69.03410	1.3
69.07043	4.7
69.34340	6.6
69.34762	3.8
71.04939	2.7
79.05492	15.5
81.07050	14.7
83.04984	1.3
83.08604	4.5
85.02908	2.3
87.36804	1.1
91.05468	10.6
93.07034	8.6
95.04948	1.9
95.08601	12.5
97.06551	1.8
97.10159	4.9
98.21467	1.7
99.04381	1.2
105.07027	10.8
107.04957	3.6
107.08583	8.9
109.02896	1.2
109.06483	2.5
109.10135	5.0
111.04386	1.1
115.05460	4.7
117.06999	5.2
119.08548	4.3
121.06503	8.7
121.10128	3.5
125.09647	2.5
128.06238	3.1
129.06985	12.5
131.04904	10.5
131.08572	9.5
133.06491	4.7
133.10085	2.3
135.08049	2.6
137.05957	1.3
137.09625	2.0
141.06987	6.0
142.07793	1.6
143.08563	9.8
144.05699	6.7
145.06467	77.8
145.10124	2.5
147.08026	5.2
149.09619	2.3
153.07036	1.6
155.08585	5.9
157.06480	13.2
157.10107	4.2
159.08064	10.1
160.32172	1.1
161.05965	8.2
161.09584	1.8
165.07008	1.7
165.80876	1.4
167.08549	4.6
169.06461	8.7
169.10120	3.9
170.07280	2.4
171.08054	18.7
173.05907	1.4
173.09650	1.6
178.07704	1.2
179.08571	2.3
180.09326	1.5
181.06441	2.8
181.10127	3.5
182.07219	1.8
183.08020	8.9
183.11734	2.3
184.08762	1.7
185.09581	8.1
185.13196	3.1
193.10068	1.2
195.07997	6.9
195.11664	14.0
197.09601	5.0
197.13196	5.7
198.10406	1.8
199.07536	2.0
199.11171	2.7
205.10262	1.5
205.12358	1.1
207.06485	1.5
207.11632	1.9
209.09641	2.8
209.13235	4.7
211.11229	6.6
213.12755	3.5
221.09645	1.7
223.11115	5.4
225.12794	4.1
227.14284	10.0
235.11143	3.7
237.12717	9.4
239.14371	2.5
243.13837	1.7
249.12651	1.4
255.13777	15.0
257.15463	1.7
265.15894	2.2
273.14810	37.0
281.15475	2.2
283.17032	1.8
287.16324	2.2
295.16956	1.5
299.16467	2.7
311.16302	5.6
313.17886	1.4
323.19876	1.7
325.17944	3.0
331.20529	2.5
339.23157	9.8
349.17331	2.3
349.21567	35.4
349.25729	2.3
367.22650	63.3
368.23157	3.4
377.24918	2.0
385.23630	9.4
387.23032	2.8
395.25949	2.2
405.24130	10.5
423.25244	7.4
441.26337	100.0
442.26807	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84559	1.0
55.01849	2.8
55.05489	4.4
57.07072	2.7
61.02920	2.3
67.05479	5.9
68.99776	2.2
69.03420	12.4
69.07066	11.0
69.37985	9.7
71.04971	2.6
72.08156	2.5
73.02914	1.7
79.05487	4.5
81.03414	7.3
81.07050	9.1
83.08614	5.7
85.02895	23.3
85.06527	4.2
87.00826	10.4
91.05465	8.8
93.07020	13.5
95.04968	1.9
95.08592	21.7
97.02879	15.5
97.06517	1.7
97.10184	1.2
99.04426	1.9
101.02359	2.5
103.03903	1.7
105.01849	8.0
105.07020	15.0
107.08565	24.1
109.02831	5.4
109.06531	1.7
109.10136	13.8
111.08077	4.4
113.02360	1.6
115.03919	2.1
117.01805	1.2
117.06927	1.3
119.08570	42.4
121.10129	37.5
123.08034	1.8
123.11691	1.6
125.02323	6.5
126.93853	1.0
127.03903	12.4
129.01855	2.0
131.08537	6.8
133.10110	39.8
134.10876	2.0
135.08057	2.7
135.11678	7.1
137.05988	1.5
137.09607	1.6
142.04868	1.1
143.03351	3.0
145.04932	4.5
145.10104	10.3
147.02827	1.6
147.08066	1.8
147.11671	11.9
149.09660	2.0
149.13286	3.7
157.10081	2.6
159.02876	3.9
159.11699	5.0
160.12508	2.1
161.09540	1.4
161.13231	12.1
163.11256	1.3
171.11752	1.4
172.12445	1.4
173.13251	4.5
175.14801	100.0
176.15166	1.6
177.16364	37.6
185.13217	1.5
187.11212	1.2
187.14810	9.4
189.03960	1.8
189.16345	2.3
193.15843	10.2
201.16483	1.1
205.15854	25.6
213.16350	1.6
217.15723	1.8
229.03337	1.7
231.04886	6.0
247.04449	1.2
249.06070	1.3
283.16910	3.2
301.18143	5.3
387.17899	2.5
397.18268	1.8
405.19177	3.2
423.20291	2.2
441.16876	4.3
441.21646	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	441.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72786	1.0
53.03941	1.7
55.01861	5.2
55.05514	12.3
57.03415	3.6
57.07082	1.5
59.04990	2.4
59.25126	1.4
59.85612	1.3
67.05508	16.2
69.03429	2.6
69.07050	5.8
70.06577	1.4
70.92441	3.9
71.04978	3.1
72.08136	1.5
79.05080	1.5
79.05489	17.2
81.03415	1.8
81.07048	18.1
83.04987	1.6
83.08624	4.9
91.03892	1.5
91.05473	11.6
93.07035	10.0
95.04942	2.4
95.08592	13.1
97.06525	2.1
97.10159	5.6
105.07028	12.9
107.04949	2.6
107.08594	8.8
109.06508	1.7
109.10173	7.6
111.08060	2.2
115.05455	4.4
117.07026	6.9
119.04932	2.1
119.08570	5.6
121.06510	8.7
121.10146	4.8
123.08073	2.4
125.09621	2.9
128.06195	3.6
129.06993	13.5
131.04909	9.9
131.08548	8.3
133.06485	6.2
133.10124	2.0
135.08015	1.6
141.06966	5.1
143.08546	11.5
144.05716	5.6
145.06482	81.7
145.10112	3.7
147.08041	3.7
149.09615	2.5
153.06973	2.5
155.04889	1.5
155.08546	7.4
157.06470	14.3
157.10107	2.9
159.08086	11.1
159.11784	2.4
161.06015	7.3
161.09651	1.8
165.07002	2.1
165.09082	2.3
167.08525	4.4
169.06468	7.0
169.10127	4.0
170.07164	1.7
171.08057	19.5
179.08516	2.4
181.06499	3.5
181.10048	2.7
182.10832	1.5
183.08040	7.4
183.11621	1.9
185.09637	9.1
185.13220	1.9
189.09131	1.3
193.10181	2.6
195.08112	7.5
195.11653	15.2
196.12050	1.3
197.09540	4.8
197.13206	7.3
199.11200	1.5
209.09641	3.1
209.13225	4.3
211.11185	4.9
211.14915	1.5
213.12755	3.6
219.11880	1.8
219.77176	1.4
222.10439	2.3
223.11179	5.1
225.12775	4.4
227.02150	1.5
227.14400	11.2
235.11165	3.7
237.12729	10.0
239.14294	3.4
243.13904	1.8
245.11597	1.5
247.11082	1.4
255.13762	14.3
273.14816	34.8
274.14996	1.6
279.13629	1.3
281.15430	4.1
283.16818	2.7
287.16339	2.2
293.15198	1.7
295.16953	2.7
299.16290	3.6
311.16342	6.1
321.22006	1.8
325.17877	2.2
331.20450	2.6
339.23264	6.4
349.21603	37.8
350.22131	2.1
367.22672	68.9
368.23007	4.0
377.24533	3.4
385.23688	8.5
387.23227	3.9
395.25491	2.7
405.24310	13.9
406.24194	1.9
416.28165	1.6
423.25296	4.1
439.32388	1.4
441.21246	4.1
441.26340	100.0
442.26678	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46259	1.0
56.96556	15.2
70.66592	2.6
84.96015	7.9
96.27750	1.0
98.91918	3.5
98.97569	86.7
102.97050	1.0
104.13963	0.9
110.96832	2.0
110.97555	25.4
116.98607	41.5
124.99099	1.8
127.00730	1.4
128.98595	31.0
130.10379	1.0
131.76126	1.0
134.99644	9.2
136.38792	1.1
140.98582	7.9
143.00160	15.7
146.99609	15.5
147.00627	1.3
149.01189	2.1
152.98570	3.8
158.99646	31.4
161.01201	11.7
165.00676	1.3
170.99620	27.9
173.01154	1.9
177.00700	31.7
179.02322	2.2
182.99628	16.0
189.00690	27.8
194.99776	1.3
195.01714	1.7
200.02328	1.7
201.00679	59.2
202.01050	1.2
203.02310	1.3
207.01729	5.8
212.02449	1.6
213.00644	4.0
213.52798	1.1
219.01747	50.3
231.01611	5.9
237.02802	20.9
243.01750	18.5
249.02847	2.1
260.04434	1.3
261.02792	100.0
262.03262	2.0
273.02728	7.8
279.03851	65.1
280.04086	1.4
291.03836	16.3
292.08600	1.0
297.04950	3.3
302.05515	3.0
303.03751	1.7
309.04929	3.8
321.04877	46.0
333.04886	4.3
351.05984	6.6
365.10388	3.1
367.62720	1.2
381.07230	4.2
399.07971	3.2
441.09027	23.5
441.15112	1.8
442.09290	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
60.69866	0.4
67.05476	0.6
69.03393	0.6
69.07041	0.8
69.43295	1.4
69.43715	2.5
70.06593	2.9
72.08141	1.0
79.05476	0.8
81.07014	0.8
85.02872	1.3
86.09704	3.1
91.05476	1.0
93.07029	2.0
97.02939	0.6
98.21490	1.1
101.00886	0.8
105.07020	1.3
107.04926	0.5
107.08588	1.6
109.02849	0.7
109.46301	0.5
119.01995	0.7
119.08617	0.7
120.08071	0.8
123.04316	0.6
130.73779	0.5
152.36710	0.6
153.01927	0.7
157.03448	0.9
159.89729	0.7
161.02939	1.3
175.04524	0.9
193.12025	2.7
227.05176	1.3
227.07140	0.7
229.15407	1.0
243.04846	0.7
245.08073	2.3
271.04202	1.0
287.03793	2.3
289.05197	3.6
337.16190	1.0
355.17261	5.7
379.17319	3.3
397.18295	40.5
398.18622	1.9
423.16241	10.3
424.16699	0.6
441.17291	100.0
442.17511	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	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
57.21195	0.6
58.73597	0.5
61.02911	0.5
61.24488	0.5
63.51584	0.5
69.66226	1.1
69.66642	2.4
70.06563	1.9
70.18328	0.4
72.08130	1.2
78.92527	0.6
79.05486	0.9
81.03408	1.0
81.07028	0.7
85.02873	1.0
86.09684	1.8
87.38721	0.5
91.05456	1.3
93.07018	2.2
95.08617	0.7
105.07039	0.9
107.08566	2.1
119.01923	0.9
120.08075	1.1
135.11632	0.7
143.01849	0.7
157.03467	0.6
158.64661	0.5
161.02940	1.8
173.09531	0.5
173.77116	0.5
175.04535	0.8
185.04308	0.9
188.76071	0.6
193.11931	2.5
218.50267	0.6
227.05133	0.7
227.07118	1.3
243.04666	1.2
245.08200	3.6
253.12863	0.8
263.09091	1.0
268.00076	0.5
271.04251	1.6
287.03680	2.0
289.05139	3.6
295.13824	1.0
337.16254	0.8
355.17249	6.3
356.17703	0.7
379.17319	4.2
397.18283	45.1
398.18539	2.2
423.16272	12.2
441.17264	100.0
442.17673	5.1
447.17386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1751
Annotation	Taraxafolide
Peak:m/z	Relative Intensity
53.03927	0.8
55.01859	1.0
55.05502	2.7
57.03421	0.5
57.07058	0.6
61.02908	0.8
67.05487	1.6
68.99763	0.4
69.03423	2.7
69.07054	1.0
69.83273	2.2
70.06569	0.8
71.04975	0.8
71.08620	2.1
75.49847	0.4
79.05472	1.8
81.03412	3.0
81.07034	1.6
82.06554	0.9
83.04948	1.6
83.08591	1.2
84.08136	0.8
85.02895	5.6
85.06525	1.4
86.09702	0.6
87.00805	0.6
87.04468	0.6
88.10784	0.4
88.11248	2.8
91.03902	0.5
91.05472	1.8
93.07030	1.2
95.04957	1.5
95.08582	1.3
97.02877	3.2
97.06533	0.5
97.27441	0.4
98.20819	0.5
98.97571	0.8
99.04453	1.0
100.07594	1.5
100.11246	5.0
105.03344	0.6
105.07013	2.4
107.04907	0.9
107.08563	1.4
109.02852	1.8
109.06507	1.4
109.10137	1.1
110.06073	0.5
111.04417	2.9
115.05437	0.6
116.98595	1.0
117.07007	1.8
119.04932	1.3
119.08563	1.0
121.02805	0.5
121.06493	0.9
121.10162	0.7
123.08045	0.6
125.02364	0.5
126.09110	0.7
127.03899	1.1
128.06195	0.9
128.07042	1.5
129.06973	1.0
130.07753	0.5
131.04976	0.5
131.08542	1.8
133.06471	0.8
133.10091	1.3
135.00758	0.5
135.04387	0.9
135.08037	1.0
135.11655	0.6
137.05959	0.8
137.09579	0.6
140.07028	0.5
142.07745	0.5
143.08522	1.9
144.05713	0.5
145.05087	0.5
145.06458	2.3
145.10078	1.4
147.04393	3.9
147.08037	1.7
149.02361	0.6
149.05957	0.6
149.09595	1.0
153.05476	1.4
153.06923	0.8
155.08528	2.3
157.06480	0.9
157.10059	0.7
158.07278	1.0
159.04373	0.4
159.08051	2.4
161.05927	1.0
161.09598	1.8
163.03896	1.3
163.07558	0.8
165.05446	1.1
170.15381	9.2
171.08047	1.8
173.05984	0.8
173.09590	4.3
173.13206	0.4
175.03903	2.4
175.07530	1.3
175.11171	1.7
175.14824	0.5
177.00891	0.4
177.05431	1.0
177.09100	0.5
178.06230	1.0
181.04964	0.5
182.15367	5.7
183.08006	1.0
186.06746	0.7
187.03883	1.4
187.07468	1.1
188.07811	0.6
189.05443	1.2
189.09090	2.6
191.06990	1.9
191.10693	0.6
196.07329	0.6
198.14880	8.0
199.07571	3.3
201.05339	1.0
201.09076	5.3
203.06866	0.7
203.14497	0.5
204.03816	0.4
205.04915	0.7
205.08556	1.0
207.06543	0.6
209.08058	1.2
209.16501	1.0
210.14848	6.9
214.06204	0.7
215.06937	1.1
217.05232	0.5
217.08559	10.5
218.09171	0.8
219.06561	2.5
219.10085	2.3
221.68002	0.5
225.07536	1.0
227.17555	1.6
228.15822	0.7
229.00243	0.6
229.08624	4.6
231.06490	1.4
233.08105	1.9
233.11649	3.2
235.09573	0.6
236.06718	1.1
237.07518	0.9
244.20213	2.6
246.08783	0.5
247.09663	4.5
248.10011	3.3
249.07634	2.8
251.09126	0.9
251.12721	3.7
261.11200	4.1
262.11459	0.6
263.09100	1.0
264.09433	2.0
278.11386	1.6
279.12225	100.0
280.12552	3.9
283.10785	0.8
297.25415	2.7
304.63535	0.5
314.27933	1.9
319.12790	0.6
335.91321	0.4
336.22931	0.9
337.21045	1.9
354.23636	2.3
365.36166	0.4
367.22473	0.6
423.33084	1.2
424.31625	5.0
441.17160	1.6
441.24503	1.2
441.34341	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3051
Annotation	Anisodorin 3
Peak:m/z	Relative Intensity
53.76381	1.3
55.01865	2.9
55.05499	8.3
57.03422	2.0
57.07047	4.1
58.43856	1.2
60.31620	1.2
67.05503	9.7
69.06709	1.8
69.07053	9.6
71.04984	1.9
71.08615	3.6
71.52831	1.7
79.05490	7.5
81.07046	16.6
83.04963	2.3
83.08591	4.0
84.61189	1.3
85.06522	4.9
90.72942	1.3
91.05452	4.0
91.75565	1.1
93.07038	10.7
95.04953	2.2
95.08585	12.7
97.06523	4.3
97.10107	2.6
99.08092	3.8
100.63438	1.3
103.92033	1.2
105.06979	5.9
107.08570	9.7
108.01849	1.5
109.06494	5.6
109.10147	7.3
111.04432	4.2
111.08062	2.6
116.77929	1.4
117.07036	1.5
119.08562	4.4
121.10137	5.4
123.08059	7.2
125.05992	3.0
125.09624	2.4
129.07033	1.4
131.08540	1.9
133.10117	5.2
135.07993	6.1
135.11693	4.6
137.05975	4.3
137.09538	2.0
139.07564	1.9
141.09122	1.3
145.10139	1.6
147.11688	1.8
149.09610	2.3
149.13280	2.7
151.07541	5.5
152.08269	3.0
159.11743	1.4
161.13281	1.6
163.11122	1.6
165.09106	12.7
165.12747	1.8
169.10077	1.6
171.11638	1.9
177.12672	1.6
179.10741	2.1
179.14342	2.8
181.12131	2.5
184.07370	1.8
193.12103	2.3
195.13846	2.1
201.12711	1.3
208.14702	2.4
219.13687	2.0
221.15367	2.4
221.19038	1.6
235.20525	1.5
249.18463	2.1
263.20035	2.6
305.24704	26.7
311.18686	2.0
319.26233	11.6
347.25754	92.0
348.26102	5.4
365.26822	26.7
366.27148	2.1
421.29446	26.8
438.64374	1.3
439.30530	100.0
440.30872	5.2
450.82657	1.3
459.30209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.2
57.07057	10.4
67.05498	26.7
69.07073	18.5
71.53173	4.1
79.05511	6.5
81.06593	5.3
81.07049	67.9
83.01997	3.0
83.08601	9.2
91.05466	6.4
93.07021	11.2
95.08601	100.0
97.10149	4.7
105.07015	11.3
107.08604	15.5
109.10140	39.7
111.11747	3.9
117.06961	3.5
119.08583	7.0
121.10128	8.0
123.11708	30.4
131.08533	8.1
133.10117	8.7
135.11722	5.4
137.13251	47.0
143.08609	6.0
145.10083	9.0
147.11667	7.6
149.13174	7.4
149.42033	3.3
157.10129	6.3
159.11685	9.2
161.13138	2.9
171.11700	11.0
173.13290	8.5
179.17867	7.6
185.13246	4.5
187.14764	3.8
191.17987	3.4
192.89696	3.7
199.14825	9.4
201.16368	6.1
208.96458	3.3
213.16371	12.0
215.17908	7.0
227.17970	3.4
241.19458	7.1
243.21077	7.6
255.21207	6.4
259.16879	8.6
269.22443	3.4
393.34906	15.3
397.75745	3.4
439.35861	15.3
462.62619	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	439.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05499	11.3
57.03427	6.4
57.07069	67.9
57.22427	3.0
67.05506	6.0
68.45253	3.1
69.03403	4.3
69.07060	19.8
70.06582	25.7
70.15987	17.0
71.04990	4.7
72.08142	5.2
79.05482	4.8
81.03411	7.2
81.07048	46.3
83.08624	4.2
84.08152	5.7
85.02888	9.0
85.06530	24.9
86.09695	17.7
87.00813	3.3
91.05482	5.5
95.08595	24.4
97.02888	9.1
97.06536	3.9
97.10165	18.8
99.08084	57.7
100.02204	4.7
105.03310	3.3
105.07046	4.8
107.08630	3.8
116.35767	3.7
119.04975	3.6
120.08023	5.4
121.06582	4.2
121.10140	5.3
123.04411	29.9
127.03900	8.2
129.10217	4.5
133.10080	4.9
134.91956	3.8
137.13240	37.8
147.04407	9.0
147.11690	4.3
153.01855	4.6
155.14287	100.0
158.85791	3.8
163.03859	4.1
173.13231	4.4
173.15364	29.4
177.05356	3.0
181.04912	3.6
183.14848	6.3
191.03401	4.3
191.14343	10.2
191.16409	54.1
193.04941	6.8
203.10774	3.4
203.77892	3.3
287.05457	19.8
299.05545	6.3
319.06577	3.8
352.92099	4.1
397.99545	5.5
439.05032	5.8
463.00354	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	437.2893
Annotation	Erigerol
Peak:m/z	Relative Intensity
53.03930	2.0
55.01864	1.6
55.05507	12.9
57.03421	2.6
57.07060	2.9
59.04985	1.7
62.92148	0.6
65.03924	2.3
65.12273	0.6
67.05499	57.2
68.05807	0.8
68.92483	0.6
69.07065	11.0
71.01360	0.6
71.04986	6.8
71.08631	0.7
71.11531	1.6
77.03899	0.8
79.04239	0.7
79.05484	19.8
81.07047	100.0
82.07397	1.6
83.04958	3.0
83.08609	6.8
85.06530	11.5
87.74097	0.6
91.05463	16.2
93.07030	24.7
95.04965	3.7
95.08590	9.8
97.06519	4.6
97.10151	2.7
99.04442	1.0
99.08086	2.0
105.07010	7.4
107.08580	14.9
109.06527	2.0
109.10141	6.9
111.08127	1.6
111.11716	0.8
117.06982	3.4
119.08566	2.3
121.06448	0.8
121.10123	7.3
123.08064	0.8
123.11680	10.1
125.09606	0.9
129.09103	1.3
131.08536	4.0
133.10120	9.6
135.11673	4.4
139.11206	0.8
145.10081	1.1
149.13234	17.1
151.11165	5.5
157.10156	1.1
159.11668	7.3
169.12277	3.1
177.12793	2.4
187.13303	7.8
195.13770	5.8
213.14847	0.8
227.12814	1.4
294.95828	0.7
437.19257	2.7
437.29037	37.2
438.29330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2894
Annotation	Erigerol
Peak:m/z	Relative Intensity
53.61568	1.8
55.05502	11.0
57.07057	3.6
62.11496	2.0
64.88956	1.8
67.05496	15.9
69.07062	13.7
70.03235	2.3
70.74328	3.0
70.74688	4.8
71.04978	2.4
81.07044	21.7
83.08617	18.9
85.06536	2.5
88.03072	1.9
89.03899	7.8
95.08604	26.0
97.10159	10.4
109.10150	14.7
111.11687	4.0
117.03378	12.2
123.11706	7.1
125.13253	3.2
128.36104	1.9
135.04401	16.2
137.13254	3.1
145.02835	16.4
161.47952	2.0
163.03888	100.0
181.05011	11.2
185.05887	2.0
198.27103	2.0
235.15465	2.1
239.23824	2.2
257.24750	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.05508	26.4
57.03458	3.5
57.07066	12.2
61.10075	2.7
65.03934	3.0
67.05500	62.5
69.06779	2.5
69.07070	24.5
70.15018	9.2
71.04979	8.4
74.16440	2.6
74.41135	2.3
75.48267	3.0
79.05485	17.7
80.85451	2.4
81.03409	3.0
81.07050	100.0
81.07531	4.8
83.04969	5.0
83.08618	23.7
85.06535	18.5
88.50884	2.5
89.03897	6.0
91.05444	13.8
93.07030	25.9
95.04971	4.1
95.08601	44.1
97.06521	2.8
97.10155	10.9
105.07024	11.4
107.04932	2.9
107.08598	18.8
109.06478	3.5
109.10144	24.6
111.11704	4.5
117.03375	6.4
117.07066	3.4
119.08583	6.8
121.10149	9.6
123.08112	2.6
123.11702	13.3
125.13261	4.4
131.08586	3.0
133.10118	11.9
135.04408	11.4
135.11674	8.5
137.13191	5.4
145.02852	11.1
146.28110	2.2
149.13234	6.8
151.07484	3.5
151.11151	4.6
153.12582	2.5
159.11707	6.7
163.03896	76.3
163.11182	5.0
165.12607	3.7
165.16438	2.7
173.11763	2.9
181.04996	3.3
181.12224	5.3
187.13182	5.4
192.78250	3.0
195.13779	3.5
197.13399	2.4
218.24883	2.7
227.12798	8.4
233.08080	2.9
257.24725	6.2
284.35110	2.5
345.24136	4.4
410.75644	3.2
437.23737	3.3
437.29489	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65424	0.7
53.03935	1.7
55.01860	1.8
55.05497	0.9
57.03426	1.3
59.04975	1.0
61.02917	1.1
68.99815	0.6
69.03139	0.6
69.03423	6.8
69.07067	4.8
69.29971	4.0
69.30389	2.5
71.04931	0.9
71.08623	45.3
73.02911	1.2
81.03403	5.7
81.07056	1.3
85.02895	16.1
87.00823	9.1
91.03954	0.8
92.08495	0.6
95.08591	0.7
97.02879	7.4
99.04449	2.2
99.08081	100.0
100.08437	1.6
105.01849	7.0
107.04924	0.7
107.08614	0.7
107.45576	0.8
109.02862	5.1
117.01862	0.7
127.03903	8.2
129.12741	19.0
145.04955	4.8
155.14301	2.8
159.02835	3.2
173.15355	60.2
174.15732	1.6
176.14310	1.4
205.04904	0.7
231.05000	1.6
244.59708	0.7
247.25830	0.6
376.73245	0.8
383.07693	1.7
438.24399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36303	0.6
53.03938	6.7
55.01861	7.5
55.05500	5.5
57.03432	5.0
59.04965	0.5
59.15453	0.6
61.02921	4.4
65.03930	1.9
67.05497	5.7
68.99783	2.3
69.03420	23.1
69.07051	4.2
70.06574	1.6
71.01329	0.9
71.04975	4.8
73.02904	6.6
77.03896	1.1
79.05483	14.1
81.03409	24.1
81.07053	10.2
83.01303	0.6
83.04961	3.0
83.08605	1.6
84.08138	0.8
85.02895	57.3
86.06008	0.7
86.09701	2.4
87.00816	23.7
87.04448	0.9
91.03957	2.1
91.05470	22.3
93.07032	84.3
94.07345	1.5
95.04954	6.3
95.08597	11.5
97.02879	27.4
97.06525	5.9
99.04448	11.2
105.01858	26.6
105.04516	1.1
105.07024	8.8
107.04951	1.0
107.08578	100.0
108.08887	1.4
109.02866	22.5
109.06506	3.8
109.10137	6.8
111.04502	0.6
111.08047	0.7
115.03947	1.7
117.01818	4.5
117.07019	1.3
119.06016	0.8
119.08585	2.1
120.08054	0.8
121.06510	0.6
121.10102	1.6
123.04396	2.3
123.08039	0.8
127.03904	48.3
128.04280	0.7
129.01865	3.6
133.10133	1.6
135.11676	58.2
136.11984	0.8
137.05969	0.8
137.13217	2.2
145.04948	21.1
145.06201	1.1
145.10130	0.8
147.02875	2.1
147.04349	0.6
147.11703	1.2
149.09637	0.7
149.13251	0.9
149.35861	0.5
151.11064	0.9
153.01767	0.7
153.12721	6.9
157.10150	0.7
159.02885	16.9
159.08015	0.6
159.11722	0.9
163.11133	1.3
165.12733	1.3
167.07022	1.2
168.07567	0.5
171.13832	0.9
177.03879	1.1
177.12643	1.1
184.07321	3.1
189.03902	1.2
189.12621	0.7
191.06749	0.7
195.02863	0.6
201.05479	0.7
207.13858	0.6
213.03827	1.1
219.04816	0.8
219.13776	0.9
231.04985	8.6
233.08084	0.7
234.08499	1.0
243.13849	0.9
249.05943	1.4
261.14951	0.7
275.05502	1.9
303.04913	0.6
304.05209	1.7
319.02759	1.3
340.76328	0.6
347.02139	1.3
347.14969	0.8
383.17105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.2
55.40876	0.9
57.07070	8.7
58.06580	2.5
67.05480	1.7
69.78588	6.6
70.06583	18.4
71.08614	3.4
80.35962	1.0
81.07050	1.5
83.08596	1.0
86.09685	1.0
88.07621	26.5
93.07038	1.1
95.04945	1.0
99.21073	0.9
102.09167	18.4
103.01823	2.7
109.92789	0.9
126.01961	0.9
135.04378	5.7
153.05455	3.6
163.03876	85.3
164.04218	2.3
190.33719	0.9
191.10683	1.1
207.06505	94.7
207.54102	1.0
208.06857	1.4
256.26324	64.3
436.30560	100.0
437.30569	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62234	0.5
54.76413	0.5
55.01875	0.6
67.05524	0.5
69.03415	0.6
71.11761	1.2
73.60233	0.5
75.62475	0.6
81.03383	0.8
81.07031	1.0
91.05469	0.7
93.07075	0.5
95.08614	0.7
97.02848	0.5
100.19252	0.5
105.06988	0.5
107.04929	0.8
107.08613	0.7
109.10159	0.6
124.01592	0.6
127.03865	0.7
152.99973	1.2
153.01814	26.9
161.03615	0.6
170.02136	0.6
180.99509	5.7
182.00433	0.6
196.01871	20.5
203.03394	0.6
213.05446	2.5
229.05064	0.6
241.04967	1.0
245.04498	1.2
248.01367	2.0
257.99796	1.9
259.00635	1.5
259.06021	0.9
269.04471	0.9
273.04092	1.1
275.00235	0.7
276.00977	1.5
283.00421	0.7
285.99374	3.6
286.99982	2.4
287.05441	0.9
297.03918	3.6
300.02524	3.2
301.01385	3.5
302.99670	0.8
304.00369	4.5
314.99591	2.9
315.04935	15.0
316.00333	1.5
316.05725	7.9
317.06631	0.9
319.02631	1.5
325.03345	1.9
327.04974	0.7
329.01218	2.1
330.01843	2.6
331.02695	4.9
331.99805	32.7
333.00351	2.3
339.05042	0.6
340.05780	15.0
341.06311	1.5
347.02151	33.0
348.02832	7.4
349.03543	1.2
355.02600	0.8
358.01373	1.0
359.02087	0.7
373.03702	13.7
391.04779	11.1
424.50607	0.6
437.05338	100.0
438.05588	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.17362	3.1
55.05494	8.3
61.36010	3.1
62.68197	3.3
67.05500	30.3
69.07058	5.5
69.36494	20.7
69.36909	8.0
79.05473	11.5
81.07040	48.6
83.08598	7.3
85.06493	5.2
89.03896	7.0
91.05462	7.6
93.07020	18.6
95.04948	4.2
95.08598	33.2
97.10144	7.9
98.21495	5.9
101.08827	3.1
107.08575	12.0
109.06470	4.6
109.10147	19.8
117.03365	7.9
121.10104	13.2
123.11681	10.9
135.04364	19.2
135.11670	14.8
137.13220	11.4
145.02844	16.8
145.10013	3.9
146.03165	5.3
149.13226	7.1
151.40776	3.2
163.03876	100.0
164.04196	3.5
177.05450	6.5
178.05812	4.3
179.06117	3.5
181.04916	20.8
226.96599	3.2
317.45529	3.3
348.17807	3.3
375.88931	3.5
435.27371	8.3
435.38370	3.7
450.98169	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01865	3.2
55.05500	1.7
57.03431	1.6
57.07072	1.5
68.01790	1.6
68.88033	1.6
69.03430	9.9
69.07058	2.9
70.06590	8.4
71.04956	3.2
71.44589	2.5
72.08146	2.5
73.02922	2.0
79.05479	17.3
80.01717	1.5
81.03423	8.9
81.07041	4.4
84.04469	2.1
84.08136	3.6
85.02896	26.3
86.09695	5.3
87.00834	10.3
91.05460	8.2
93.06484	2.6
93.07040	34.8
95.04965	3.6
95.08596	5.3
97.02883	16.7
99.04477	3.6
105.01855	17.7
105.07021	2.5
107.04937	4.5
107.08585	25.0
109.02859	5.2
119.04998	2.1
120.08092	2.8
123.04417	5.5
127.03920	23.2
133.10092	3.0
135.11676	100.0
136.12041	2.3
137.13229	4.0
145.04939	18.1
147.04396	3.5
153.12688	1.6
159.02911	4.0
167.07027	4.3
177.05440	1.6
183.39111	1.6
223.61844	1.6
231.04948	5.2
233.07870	1.7
243.13947	2.0
249.05927	4.8
365.16190	2.0
383.16873	2.6
399.20529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.2
55.01858	8.2
55.05489	9.6
55.21559	2.4
57.03423	5.3
59.04994	3.9
61.02896	3.9
67.05478	9.5
68.99779	4.8
69.03419	25.8
69.07053	7.0
70.06577	5.9
71.04971	8.4
71.10447	2.2
72.08115	4.1
73.02897	3.5
79.05490	16.7
81.03405	23.2
81.07050	11.9
83.04964	6.1
83.08594	3.9
85.02888	52.4
86.09684	8.1
87.00803	18.2
91.05463	23.0
93.07035	67.3
93.24389	2.6
95.04946	11.7
95.08582	16.6
96.08980	2.3
97.02887	27.4
97.06481	3.1
98.20744	6.8
98.72810	2.7
99.04456	12.2
105.01860	32.3
105.07011	13.5
107.04925	4.6
107.07880	4.8
107.08579	87.9
109.02860	22.0
109.06493	14.2
109.10116	4.8
111.04420	4.8
117.06982	3.5
119.04913	4.7
119.08556	11.4
120.08097	6.2
121.06400	2.6
121.10169	5.3
123.04417	4.7
123.08044	26.7
123.11684	2.7
126.08296	2.3
127.02969	5.6
127.03896	100.0
131.08542	3.7
133.10136	4.7
135.11664	50.1
137.05963	4.1
137.09573	4.1
145.04918	18.4
147.02797	3.0
147.07991	3.9
147.11641	7.5
149.09593	8.7
153.01823	2.8
153.12686	3.1
156.09293	2.9
159.02837	7.5
159.11681	4.0
163.11102	4.9
177.03822	2.5
177.05244	3.2
187.11168	2.9
189.12704	10.1
207.13783	12.9
231.04962	9.8
249.05913	3.7
303.05078	4.7
304.05215	11.7
305.05478	3.2
383.70007	2.7
437.18097	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	435.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74758	1.2
77.85950	0.5
79.05466	0.7
81.03391	0.8
95.04937	1.0
95.63954	0.4
97.06502	0.7
107.04929	0.5
119.01891	0.5
120.37901	0.6
128.14223	0.5
167.03131	0.5
167.07080	0.5
185.04205	0.6
186.06453	0.9
187.07358	0.8
208.05830	1.3
215.06955	0.9
219.06485	0.6
227.05209	1.8
259.09451	1.0
265.09277	0.9
271.04178	3.8
295.67200	0.6
333.10535	0.5
349.12579	5.5
373.12579	1.2
391.13574	42.9
392.13782	1.1
407.11292	0.7
435.12561	100.0
436.13049	2.4
443.85309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
56.05029	1.6
57.03423	9.0
65.03918	3.0
67.05478	2.6
68.99791	3.8
69.03421	5.5
70.06586	10.6
71.01648	1.8
72.08140	2.7
74.42596	1.5
79.05470	3.5
81.03408	4.8
84.04494	2.7
85.02891	25.9
86.09701	6.0
91.05466	6.6
93.03398	1.5
95.04967	9.0
97.02895	4.8
103.03923	3.4
107.04939	7.6
109.02863	6.8
111.00800	2.2
119.04915	7.8
120.08096	1.6
121.02846	18.8
122.03246	1.8
123.04396	11.0
125.02329	4.6
127.03927	3.1
133.06415	2.8
133.10089	2.1
135.04381	4.2
137.02356	2.6
139.03877	5.7
141.01791	2.5
147.04378	18.7
149.02362	3.0
151.03906	3.3
153.01825	6.6
163.03909	13.3
165.01805	33.4
165.03116	2.7
167.03394	2.3
167.07050	5.6
171.02898	5.4
172.05190	3.5
173.12865	2.0
175.03896	3.2
177.01830	16.3
181.04996	8.6
183.02879	27.9
187.03868	4.6
189.01837	7.7
189.05241	2.0
191.03374	30.6
195.02872	100.0
203.03407	4.3
205.04924	4.8
207.02914	2.7
209.00919	2.0
209.04350	2.1
215.03366	3.1
219.02861	37.8
219.04904	2.5
231.02855	26.7
231.06378	2.2
233.04486	3.5
233.08156	10.5
233.36905	1.8
237.03978	2.1
243.02875	6.5
249.03854	14.6
261.03922	23.3
263.09180	2.4
273.07590	6.5
279.04956	6.4
285.07541	36.5
285.10651	2.0
297.07788	16.8
303.04929	17.5
313.07089	2.2
315.08582	17.0
339.08630	33.0
351.08524	18.5
363.08347	9.2
369.09756	4.1
381.09564	11.7
399.10788	11.4
417.15750	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
55.01840	1.5
57.03421	8.0
58.79005	1.4
65.03926	2.0
68.99793	2.6
69.03410	2.6
69.17878	18.1
70.06573	5.4
72.08144	1.5
79.05476	2.0
81.03411	4.0
85.02896	21.4
86.09679	4.1
91.05467	3.5
95.04945	5.8
97.02884	4.1
105.07004	1.5
107.04919	5.8
109.02873	5.5
109.39873	1.4
119.04919	6.3
121.02841	14.0
121.06523	2.2
123.04378	7.6
125.02350	2.1
127.03879	1.9
135.04379	5.0
139.03891	2.3
141.01790	1.7
147.04395	14.7
149.02321	2.9
151.03893	2.6
153.01796	6.1
163.03850	9.4
165.01831	31.4
167.07037	5.9
171.02853	3.3
175.03799	1.8
177.01837	14.3
179.03423	2.2
181.04939	6.8
183.02881	19.4
187.03914	3.2
189.01828	4.9
191.03371	22.2
195.02864	100.0
203.03317	3.9
205.04785	2.8
207.02756	3.1
209.04373	2.6
215.03391	3.0
217.01366	1.6
218.05698	2.1
219.02855	40.0
231.02847	25.8
233.04486	2.1
233.08046	8.8
237.03996	1.9
243.02864	6.6
249.03920	13.3
261.03918	27.1
273.07504	4.0
273.12225	2.3
273.50449	1.5
279.04929	8.2
285.07562	36.7
297.07632	13.9
303.04865	2.2
315.08597	15.2
339.08578	27.3
340.08954	2.1
351.08606	24.5
352.08807	2.3
363.08685	7.9
369.09448	4.0
381.09622	10.4
399.10464	11.7
435.12070	1.5
435.21295	2.0
452.51898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59248	1.8
53.03942	3.8
55.01842	3.3
55.05502	6.8
57.03450	2.0
60.96684	1.3
65.03936	9.1
65.23147	1.5
67.05488	5.2
69.07051	1.8
70.06583	4.1
70.86131	4.0
72.08160	1.5
75.04468	7.2
78.04698	6.2
79.05482	6.3
81.03425	3.2
81.07033	2.7
82.06577	2.7
83.04942	1.7
83.08603	4.9
84.04494	1.7
85.02882	8.2
85.43832	1.4
86.09710	2.2
88.31277	1.6
91.05470	26.8
93.03387	18.5
93.07034	10.7
95.04944	9.7
97.06524	8.9
100.11251	13.7
102.30206	1.6
103.05453	8.9
105.03378	2.5
105.07015	3.5
106.04165	52.7
107.04959	10.0
110.06071	1.6
111.04421	4.5
111.08057	1.7
115.31251	1.6
117.03365	2.4
117.06973	1.9
119.04951	4.9
119.08514	2.0
121.05666	3.4
121.06492	50.0
123.04423	10.1
123.55859	1.9
124.05196	2.4
125.05990	15.5
128.07053	2.3
131.04955	3.1
133.02853	3.4
133.06459	3.0
134.03583	7.9
135.04376	2.3
135.08107	1.7
137.05983	10.4
138.06767	2.8
139.07552	4.1
141.11484	2.3
145.02847	2.4
145.06490	3.2
147.04414	8.3
148.05165	3.2
149.05963	65.3
151.07510	5.4
153.01785	13.0
153.05409	6.2
153.09109	21.5
155.06998	4.0
162.50819	1.6
163.07452	3.8
165.05489	6.0
167.07047	19.3
171.06476	2.2
172.05281	1.9
177.05467	40.3
179.07007	2.5
180.07765	2.7
181.04962	45.9
181.08571	38.1
182.15402	8.9
187.07416	2.2
191.06956	2.4
193.04974	2.7
207.06505	4.2
208.07321	7.7
209.08072	100.0
209.16566	2.5
210.08516	2.6
210.14911	12.5
211.15440	1.7
219.10167	1.6
225.07582	4.7
226.08382	4.6
228.16034	2.2
233.08086	13.5
261.93716	1.8
272.25858	2.1
273.07532	14.8
290.41403	1.7
319.64471	1.6
326.28220	1.6
340.75348	1.8
353.75958	3.5
404.38705	1.7
417.15665	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	435.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73950	1.8
55.01878	3.4
57.03423	7.6
60.04496	4.3
61.02896	2.1
67.05502	2.5
68.99792	4.2
69.03404	5.7
70.06582	36.3
71.06915	1.9
71.53114	2.7
72.08129	3.7
73.64605	1.9
77.95640	2.0
81.03407	7.8
81.06999	2.2
83.66245	2.1
84.04469	2.6
84.08123	3.4
85.02901	29.0
86.09702	18.1
86.60737	2.0
91.05437	2.8
95.04950	4.6
97.02878	6.0
98.84345	2.4
105.07047	3.0
107.04922	8.4
109.02843	6.7
110.07165	2.8
116.07024	2.8
119.04936	5.7
120.08046	4.4
121.02863	16.3
123.04424	19.9
125.05934	2.1
127.03835	2.9
129.10207	3.8
135.04417	5.1
139.03864	4.3
147.04408	18.8
151.03876	3.5
153.01814	10.2
163.03885	7.4
165.01845	31.7
167.07010	9.2
171.02832	4.4
172.05159	2.6
173.12833	14.0
177.01830	11.4
177.05553	2.5
181.04910	22.9
183.02870	27.3
187.07486	3.9
189.01765	4.7
191.03401	23.0
195.02872	100.0
201.12355	5.2
203.03352	3.0
207.02914	2.7
215.03384	2.7
219.02870	35.5
231.02878	24.5
233.08017	16.7
243.02942	4.0
249.03899	13.2
249.06644	1.8
259.05838	2.4
261.03940	22.3
263.09320	2.9
273.07593	6.8
279.04993	5.3
285.07547	31.6
291.19180	2.6
297.07700	15.7
303.04996	11.6
315.08554	12.9
339.08624	29.3
351.08563	19.8
363.08685	7.6
369.09665	2.8
381.09457	6.0
399.10657	8.1
417.15375	6.3
435.11520	2.8
435.17465	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	433.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	8.6
58.20836	2.9
59.66629	2.7
63.69536	2.6
67.05489	10.0
69.07068	7.1
69.32380	15.1
69.32808	11.9
79.05481	8.7
81.07051	36.7
83.08607	3.5
91.05466	22.2
93.07040	13.3
95.04947	3.8
95.08608	28.7
98.21510	7.1
105.07060	15.7
106.85012	3.4
107.08588	30.4
109.06514	8.9
109.10136	9.8
112.99980	9.4
115.05448	4.2
117.06982	12.1
119.08554	13.9
121.06490	7.7
121.10152	5.7
123.07996	6.7
128.17203	2.9
129.06932	5.9
131.08557	47.7
133.10110	5.7
135.08063	10.0
143.08528	6.0
145.06456	6.3
145.10104	31.2
147.08057	5.2
147.11699	6.5
147.70158	3.2
149.09595	5.2
151.81020	2.8
155.08582	8.2
157.10088	5.9
159.08035	47.8
159.09279	4.2
159.11700	16.1
161.09645	4.0
169.02608	8.6
173.09608	17.0
173.13249	13.5
175.11090	7.2
182.11060	3.3
185.56235	3.0
187.11172	20.1
187.14769	17.5
191.10623	3.4
191.84019	3.2
197.13272	6.9
205.15883	6.6
215.14288	100.0
220.27866	3.5
233.15271	26.6
258.29996	2.9
433.33081	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30538	2.1
53.03932	4.7
53.18492	2.3
55.01870	12.3
55.05506	40.1
57.03428	11.7
65.03934	4.4
66.69331	2.2
67.05499	43.5
68.99752	2.6
69.03404	6.1
69.07065	11.7
71.04985	5.3
78.99397	2.0
79.05489	56.2
81.03439	11.7
81.07053	40.2
83.04968	8.7
83.08624	14.7
84.04437	3.0
84.51618	2.1
85.06549	3.1
91.05472	54.8
92.40675	1.9
93.07034	38.9
95.04376	3.1
95.04958	39.6
95.08596	23.2
97.06524	3.1
97.10159	24.4
103.05429	3.8
105.03344	2.8
105.07018	34.1
107.04969	22.1
107.08588	25.5
109.06512	6.5
109.10157	11.1
111.04469	2.2
111.08037	2.2
115.05440	4.7
117.07014	19.9
117.39413	2.2
119.04935	6.1
119.08593	15.5
121.06494	18.5
121.10134	19.4
123.08035	8.2
123.11661	3.2
125.09620	22.8
128.06161	5.5
129.05470	3.4
129.06976	21.0
131.04915	12.7
131.08554	35.1
133.06479	11.3
133.10107	10.8
135.04384	3.0
135.08015	12.6
135.11705	4.1
136.60103	2.2
137.05962	5.7
137.09607	2.8
141.06969	11.3
143.08507	15.5
145.06474	21.0
145.10126	14.4
147.07990	9.3
147.11630	5.1
149.06084	2.6
149.09618	23.2
151.11177	2.7
154.07800	4.7
155.08530	11.5
157.06535	5.6
157.10115	7.9
159.08035	12.4
159.11726	10.3
161.05910	2.7
161.09601	6.8
161.13205	2.9
163.11136	4.4
165.06897	3.0
167.08525	3.6
169.10115	11.2
171.08069	6.7
171.11630	19.4
173.09610	8.5
175.11159	6.2
177.12657	3.5
179.08595	3.8
181.04987	2.6
181.10115	3.3
183.08095	3.5
183.11707	6.3
185.09567	5.5
185.13199	4.1
187.11168	11.5
189.09052	3.7
189.11157	12.0
189.12758	14.7
193.12215	3.9
195.08083	2.3
195.11774	4.5
197.09596	3.0
197.13249	4.6
199.11180	4.9
201.12711	2.3
203.10638	4.3
205.12251	6.5
206.40329	2.9
207.06488	4.2
207.11719	2.7
207.13910	3.0
211.11169	8.0
213.12692	5.3
223.11308	3.1
223.13286	5.9
225.12877	3.0
227.12636	4.4
229.12244	8.6
231.13728	2.8
243.13687	6.1
257.15408	3.3
267.15985	3.8
273.14920	3.1
287.05521	3.1
295.20703	2.4
313.21545	6.8
323.19983	23.6
328.37332	2.5
331.22452	3.3
341.21085	100.0
341.25201	5.1
359.22147	10.0
359.26065	2.8
379.22787	2.7
415.24725	34.9
430.29684	2.1
433.25830	74.3
434.25928	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16784	1.4
53.03936	3.9
55.01867	11.5
55.05509	30.9
57.03427	9.3
57.44700	1.4
65.03938	3.4
67.05497	39.8
69.03415	5.8
69.07062	14.8
69.27164	15.0
71.04972	3.3
79.05017	2.4
79.05485	50.1
81.03410	8.3
81.07050	34.5
83.04976	4.1
83.08614	16.4
84.04499	1.6
85.06532	4.0
91.05471	40.4
93.07030	35.8
95.04373	2.2
95.04960	32.3
95.08605	15.5
97.02889	1.8
97.06521	6.5
97.10156	19.4
103.05487	2.5
105.07025	31.1
107.04945	17.8
107.08588	24.0
109.02847	2.1
109.06484	7.5
109.10165	8.1
111.04456	2.7
111.08060	2.6
115.05457	3.6
117.07001	19.2
119.04924	5.2
119.08559	14.9
121.06496	15.7
121.10132	15.4
123.04410	1.7
123.08045	6.9
125.09619	21.2
128.06215	6.3
129.05487	2.7
129.06992	23.0
130.07703	1.4
131.04903	13.5
131.08551	28.9
133.06480	9.4
133.10118	8.4
135.04427	2.6
135.08009	9.2
135.11716	3.5
137.05949	4.2
137.09613	2.5
141.06966	12.5
142.07758	2.3
143.08554	14.9
145.06459	18.9
145.10100	13.0
147.04381	4.8
147.08063	8.1
147.11708	3.5
149.09599	22.7
153.07002	1.8
154.07780	1.9
155.08545	10.4
157.06467	3.8
157.10143	8.1
159.08063	8.9
159.11653	9.5
161.05948	2.7
161.09619	4.9
161.13232	2.3
163.11166	5.1
165.06970	2.3
167.08597	4.3
169.10083	10.7
171.08060	4.7
171.10217	2.5
171.11674	16.5
173.09578	8.3
173.13248	2.8
175.11186	3.9
177.12750	1.4
179.08551	2.8
181.04927	1.8
181.10245	3.2
183.08206	2.7
183.11684	5.7
184.07478	1.6
185.09566	3.7
185.13258	3.1
187.11163	9.1
189.09232	2.9
189.11182	11.0
189.12773	10.7
193.12251	3.3
195.11636	3.8
197.09541	6.6
197.13300	3.7
199.11179	3.0
201.12727	3.4
203.10628	2.1
205.12251	6.4
207.11719	4.3
209.13243	2.4
211.11217	7.1
211.14798	1.7
213.12779	3.3
215.10684	5.4
215.14285	2.8
223.13232	3.2
225.12720	5.0
227.12793	6.3
229.12280	3.8
231.13765	3.2
239.14264	1.8
243.13817	6.5
245.13623	2.1
247.13429	1.9
249.14894	3.3
257.15277	2.7
261.14734	2.8
267.15918	4.0
273.14932	2.9
275.77603	1.5
295.20581	2.2
305.19104	2.3
313.21600	5.8
321.17328	1.7
323.20041	25.3
338.61954	1.5
341.21069	100.0
342.21442	3.5
359.21982	8.7
377.23392	2.3
389.23279	1.8
397.23615	3.0
399.53763	1.5
401.13297	1.6
415.24725	35.1
416.25333	1.6
433.08102	4.3
433.25821	71.4
434.26642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Rastevione
Peak:m/z	Relative Intensity
54.80064	2.0
55.05500	5.2
62.33680	2.3
67.05185	2.3
67.05504	28.9
69.07041	3.8
70.43330	4.2
79.05484	14.1
81.07046	23.2
83.08620	3.2
89.03895	8.0
91.05454	5.2
93.07030	12.3
94.11823	2.0
95.04983	1.9
95.08586	25.9
95.41983	2.0
98.98451	3.8
105.07033	4.0
107.04980	4.0
107.08580	8.6
109.10125	8.8
117.03377	8.0
119.08555	2.6
119.20127	2.0
121.10123	17.4
133.10057	3.0
134.09258	2.1
135.04382	18.8
135.11665	23.3
138.57578	2.5
145.02824	19.3
147.11754	3.0
155.08595	2.8
163.03886	100.0
164.04276	2.3
175.14885	2.5
180.78421	2.0
181.04979	28.2
235.20457	6.4
253.21739	2.6
315.45374	2.0
424.68851	2.3
433.26688	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	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03944	2.8
55.05497	4.3
56.96562	1.9
57.03410	3.4
61.02920	2.8
67.05494	3.6
69.03413	6.0
69.07039	2.2
70.06585	3.0
71.04984	29.2
71.12141	3.1
71.12473	1.9
72.08148	3.0
74.84672	1.6
75.04445	2.2
79.05464	5.5
81.03397	5.9
81.07060	11.9
82.97513	1.6
83.04959	3.1
83.08592	3.3
84.04498	8.5
85.02894	33.0
86.09692	4.3
91.05468	5.7
93.07025	3.7
95.08607	4.4
97.02862	4.0
97.06514	2.6
97.10101	2.2
99.04461	3.2
100.11229	2.6
105.07011	5.9
107.04930	3.3
107.08577	5.1
109.02855	5.5
109.06526	3.3
109.10123	2.0
110.07150	2.6
111.04391	2.3
117.06896	2.0
119.08525	3.4
120.08055	2.8
121.02834	6.0
121.06470	3.0
121.10108	2.7
123.11654	3.5
127.03878	5.1
129.05473	4.9
129.83775	1.6
133.10101	3.5
137.02322	3.1
142.62601	2.0
145.10062	2.3
147.04420	2.6
147.11572	3.0
151.03792	2.5
153.01779	7.8
161.09608	2.4
163.03870	2.1
165.01744	2.5
167.06978	2.4
179.03293	2.3
181.04942	5.3
183.02791	2.6
210.14835	3.0
271.05991	8.9
283.05997	8.6
287.05460	100.0
288.05643	2.7
301.07077	4.1
329.06479	4.2
397.09158	3.6
406.45193	1.9
415.09921	4.3
433.10901	5.5
433.25177	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03928	3.7
55.01866	3.3
55.05511	14.1
57.03429	17.2
57.07046	3.4
61.82030	2.5
67.05499	64.3
69.07069	14.5
70.65607	8.4
79.05483	37.9
81.07047	73.3
82.88573	2.5
83.08604	4.8
91.05466	22.0
93.07031	52.8
93.07579	2.0
95.04993	3.2
95.08600	54.9
97.10197	3.5
98.98454	100.0
105.07040	16.9
107.08579	36.1
109.10149	27.9
117.06989	6.5
119.08567	13.9
121.10137	24.4
123.11677	11.4
131.08559	13.8
133.10115	11.0
135.11646	21.7
137.13225	4.5
137.88658	2.6
145.10114	10.3
147.11659	7.9
149.13235	14.1
151.14842	2.6
155.01059	13.6
159.11714	14.6
159.68388	2.9
161.13239	7.3
163.14810	8.7
173.02145	21.6
173.13240	6.6
175.14694	4.4
187.14854	6.6
201.16339	3.3
207.81561	2.4
224.75423	2.8
233.22594	5.0
243.21123	18.0
247.59108	2.6
261.22125	57.7
261.65012	2.8
262.22485	3.8
279.22931	3.3
317.24701	9.2
335.25751	97.2
336.26288	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	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01861	0.4
68.99782	0.4
69.03400	0.3
69.92313	0.9
70.06567	0.6
71.04971	0.2
72.08137	0.3
79.05482	0.3
81.03422	0.2
81.07037	0.4
83.77483	0.2
84.08157	0.3
85.02883	0.7
85.07626	0.2
86.09710	0.9
91.05452	0.6
95.04935	0.3
97.02853	0.2
109.02798	0.3
109.10145	0.2
109.85181	0.2
111.04455	0.2
116.07035	0.2
119.04941	1.6
120.08087	0.6
121.02843	0.6
123.04385	0.2
125.02393	0.2
127.03915	0.2
128.51286	0.2
129.10236	0.3
145.02876	0.6
153.01819	4.2
163.03902	0.7
167.10677	0.4
171.02875	0.6
181.04916	0.4
185.11581	0.9
203.07117	0.3
225.05336	0.3
229.04753	0.3
243.06516	0.2
245.08649	0.2
247.06058	0.3
253.05132	0.2
270.58368	0.2
271.05988	100.0
272.06369	3.2
283.06110	0.2
287.05545	1.4
301.06775	0.3
313.07114	0.2
329.06122	0.2
390.79663	0.2
415.10220	0.2
433.11349	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.1
57.03431	7.4
60.15260	2.5
65.03918	3.7
67.05496	51.5
69.07050	11.9
69.21541	18.1
69.21971	14.9
79.05483	26.0
81.07045	58.9
83.08591	8.3
89.03908	5.8
91.05464	10.9
93.07030	34.6
95.08598	47.3
96.45367	3.0
98.98460	54.7
102.62257	3.1
105.07018	10.2
107.08597	15.4
109.06512	3.4
109.10133	21.2
117.03346	7.6
119.08566	8.7
121.10129	28.1
123.11688	6.6
131.08578	7.3
133.10033	4.7
135.04405	21.2
135.11679	34.1
137.13182	4.4
139.39027	3.0
145.02849	15.8
145.10178	4.5
147.11656	4.9
149.13242	9.1
159.11662	5.9
159.39191	2.7
163.03894	100.0
163.14857	3.4
173.02055	4.3
173.13292	4.0
177.16437	4.2
181.04889	20.2
186.66347	3.2
198.91663	3.0
235.20407	6.4
243.20969	9.1
261.22131	33.6
335.25745	51.0
336.25943	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	433.1124
Annotation	Vitexin
Peak:m/z	Relative Intensity
50.77505	0.5
52.07686	0.5
55.01869	0.5
57.03385	0.8
65.03889	0.8
67.05437	0.5
68.99758	1.1
69.03385	0.8
69.37167	1.6
69.37595	2.5
69.67039	0.4
70.06535	1.1
70.71295	0.5
72.08102	0.7
79.01795	1.6
81.03363	1.6
85.02896	2.6
86.09640	1.7
91.05420	1.5
93.03353	0.6
95.04925	0.8
96.77573	0.5
97.02863	1.0
107.04892	0.8
109.02814	1.9
111.04375	0.6
116.07028	0.6
119.04940	3.8
120.08070	0.9
121.02038	1.0
121.02845	13.1
141.01741	0.9
145.02820	3.0
147.04350	0.9
149.02283	1.8
151.03839	0.7
153.01729	0.7
157.06375	0.6
159.04311	0.6
163.03896	3.5
165.01822	10.2
167.03346	3.1
171.04350	0.6
177.01723	1.4
177.05360	0.6
181.04919	1.6
183.02884	5.4
185.05916	0.8
187.03876	1.2
189.01666	0.6
191.03311	1.6
195.02832	2.0
203.03383	0.6
205.04919	1.3
211.07710	0.6
213.05447	1.4
215.03571	0.5
217.04930	1.6
227.06953	1.2
228.07846	0.6
229.04932	0.8
233.04387	1.0
239.07016	0.7
242.05779	0.8
243.02890	1.5
243.06477	1.2
255.06558	4.5
256.07199	5.9
259.06049	0.6
261.03815	1.4
267.06497	6.7
270.05121	3.1
271.05975	10.4
279.06427	1.7
281.05078	0.9
281.07980	5.1
283.05969	100.0
284.06729	23.4
285.07269	2.4
287.05490	0.9
293.08017	0.8
295.06018	14.3
295.09424	1.4
297.04355	0.6
297.07559	9.6
298.04544	0.7
305.08078	2.1
307.06033	1.8
308.06659	2.6
309.03812	1.6
309.07480	16.6
309.11115	0.9
310.07965	0.8
311.05518	1.6
313.07013	83.5
314.07285	3.4
321.07562	2.3
322.08478	0.6
323.05530	1.4
323.09070	20.3
325.07047	3.5
327.08484	0.7
333.07410	2.9
337.07010	32.3
343.08121	2.6
349.07022	7.0
351.08652	4.2
355.08008	1.1
361.06912	5.3
367.08081	17.9
368.08334	0.6
379.08060	16.5
397.09131	26.1
398.09448	1.3
415.10199	25.3
416.10535	0.8
433.11270	30.5
434.11655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68493	2.2
62.22056	2.4
70.06586	4.1
70.67607	4.2
72.08147	5.2
76.58271	1.9
84.08126	2.6
86.09679	9.0
89.03914	5.1
106.99469	1.9
117.03350	6.7
135.04402	12.4
141.01805	2.9
145.02780	10.3
163.03879	100.0
164.04227	2.3
250.74936	2.0
273.96017	2.2
306.04376	2.1
356.21823	2.7
406.86438	2.2
455.16296	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	432.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
55.05509	5.9
55.65675	3.6
67.05484	10.0
69.07067	5.7
69.72623	3.1
71.52945	4.7
79.05489	8.2
81.03439	4.2
81.07070	18.0
91.05475	4.8
93.07005	7.7
95.04979	4.1
95.08572	8.0
103.11044	3.4
105.07018	7.9
107.08542	5.4
109.06522	4.4
109.10159	5.1
111.04448	6.8
119.08594	5.8
135.11623	4.4
137.05963	56.3
141.25673	3.7
147.08080	4.8
147.11647	4.9
153.14485	4.5
161.09605	6.6
180.50148	3.8
231.17322	7.3
249.18581	5.2
263.20700	3.7
277.18008	51.7
295.18961	17.2
312.19272	4.2
321.94385	4.1
347.11353	4.6
351.21606	100.0
369.22726	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	433.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01882	1.0
55.05505	0.7
57.03413	0.8
58.93840	0.6
65.03925	1.2
68.99779	2.0
69.03401	0.9
69.07084	0.9
70.06573	2.4
71.04966	0.9
71.52228	0.8
71.52605	0.9
72.08134	2.1
79.05479	1.3
81.03410	1.7
82.33099	0.7
82.53164	0.7
84.08115	1.3
85.02912	3.5
86.09694	3.5
91.05465	3.4
94.06485	0.7
95.04958	2.3
97.02882	1.1
107.04939	2.3
109.02851	1.4
111.00730	0.7
119.04935	3.9
121.02843	8.6
123.04414	3.3
127.03868	1.5
131.08536	0.9
133.02774	0.9
133.06479	1.1
135.04419	2.8
135.11275	0.6
137.02307	1.6
137.05956	0.8
141.01826	1.0
144.33423	0.6
145.02849	1.5
145.06505	0.6
147.00539	1.8
147.04384	4.9
147.11606	0.8
149.02393	0.8
149.09642	0.8
151.03883	0.8
153.01808	7.3
157.03893	0.6
159.04333	0.6
161.05986	1.3
163.03880	10.1
165.01808	12.8
167.06995	1.6
175.03893	6.7
177.01871	3.8
177.05534	0.7
179.03328	1.4
181.04953	3.1
183.02879	10.1
189.01839	2.4
191.03365	10.1
193.08467	0.8
195.02869	2.6
203.03436	2.2
205.04941	1.4
207.02936	1.4
207.06496	5.7
209.00577	7.5
209.04439	1.4
213.05528	1.2
215.03387	1.0
217.04750	0.6
219.02866	15.1
221.08075	0.9
227.01588	25.9
229.04727	7.4
231.02852	8.6
231.06398	0.8
233.04468	1.3
241.04932	1.1
243.02940	1.5
247.05762	12.2
249.03893	6.1
257.08002	0.7
258.05289	1.3
261.03894	8.1
271.06131	1.2
279.04950	4.2
283.05930	1.2
287.05475	100.0
288.05783	1.7
289.07242	1.2
297.06000	3.2
301.07059	9.5
313.07001	5.0
337.07257	0.6
346.51358	0.7
355.08170	7.3
367.08069	5.8
379.08035	1.8
385.08969	1.2
397.09091	3.1
415.09967	3.4
433.07410	3.6
433.11536	2.0
433.27310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.01867	9.9
57.03430	5.1
60.04528	1.4
61.02933	6.3
68.99786	3.7
69.03425	31.9
69.97892	6.3
71.04977	5.4
73.02911	10.4
81.03412	38.4
81.03869	2.7
83.01338	1.4
83.19585	1.3
85.02898	100.0
87.00820	36.9
91.03930	1.8
92.41777	1.2
97.02885	36.2
98.21429	1.6
99.04456	15.1
103.03999	1.3
105.01861	37.2
105.02571	1.9
108.04451	9.2
109.02882	36.7
117.01866	5.8
126.05521	6.6
127.03909	83.1
129.01814	4.2
137.05975	3.4
145.04948	47.6
147.02870	4.6
159.02888	32.1
165.07310	1.3
177.03938	2.6
189.09012	6.5
207.10191	1.4
213.03940	4.4
229.70699	1.3
230.06660	2.8
231.04991	15.5
231.10095	2.3
248.07610	6.5
249.06070	1.8
255.06494	4.1
323.31543	1.5
332.16049	1.4
405.66675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61444	1.9
55.05495	8.6
57.07047	2.5
69.07043	9.0
69.25507	7.5
69.25926	15.0
71.71702	2.5
72.08147	100.0
73.06531	3.5
81.07055	2.8
86.09696	91.8
87.23963	2.2
91.05804	2.6
93.07031	2.7
98.21556	4.6
98.98434	2.4
107.08582	2.4
109.10098	2.1
131.02254	2.2
172.13304	64.0
186.14867	59.9
200.12817	25.5
214.14378	27.4
227.09593	2.2
300.17993	13.8
314.19598	14.8
385.26944	43.0
413.25903	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05493	3.2
57.07071	21.3
62.88194	0.6
65.03932	1.2
67.05492	4.5
69.03423	0.8
69.07061	4.9
71.02299	1.7
71.08622	10.9
79.05484	2.0
81.07036	8.4
83.04944	0.9
83.08586	2.7
85.10173	5.6
89.40649	0.7
91.05466	2.9
93.07024	2.4
95.08591	7.2
97.10162	2.2
105.07008	2.1
107.08578	6.4
109.06535	0.9
109.10148	6.6
109.11884	0.8
110.10528	0.7
111.04403	0.9
111.11714	0.7
117.07006	1.4
119.08575	4.5
121.06506	1.4
121.10147	6.3
122.07272	1.5
123.07996	1.2
123.11649	1.7
131.08546	2.9
133.10104	1.4
135.08046	6.5
135.11668	2.9
137.06007	1.2
137.09599	13.5
139.07516	2.7
145.10106	3.7
149.09596	16.0
149.13280	1.1
151.07512	1.5
158.10893	0.8
159.08064	1.5
159.11693	3.3
161.09605	0.9
162.06711	1.1
163.11159	21.4
164.08278	0.7
165.09097	100.0
166.09442	1.8
173.09584	1.7
173.13284	2.1
175.11186	6.2
176.08327	2.9
177.09094	13.3
177.12709	2.0
179.10721	1.1
186.10435	1.6
187.11150	2.5
187.14803	0.8
189.09122	1.5
189.12698	1.8
190.09895	1.5
191.10635	11.2
201.12712	3.3
203.10677	2.6
203.14388	0.8
205.12222	9.9
210.60994	0.8
215.14293	1.4
219.13759	5.1
233.15344	2.0
247.16899	1.1
261.18488	1.5
275.19968	1.7
289.21484	1.7
303.23187	2.0
317.24670	1.3
338.97357	0.8
359.29303	0.8
373.30988	1.3
401.34192	2.3
411.36111	1.9
429.37262	34.0
430.37991	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93402	2.0
53.03936	2.3
54.90228	1.7
54.91414	1.8
55.05507	18.0
56.04790	2.3
56.05027	26.2
57.03162	2.1
57.03429	38.9
57.07063	14.8
58.02943	7.9
60.04520	28.5
65.03934	2.5
65.60876	1.6
67.05497	32.8
68.05004	7.2
69.07057	25.1
70.06576	6.1
70.25499	6.8
71.04957	3.9
71.08608	5.1
72.04494	8.1
73.02909	1.6
76.03985	9.6
76.13577	1.9
79.05496	12.9
80.05010	10.5
81.03404	2.2
81.07047	29.9
82.06573	14.3
83.02110	1.6
83.04987	2.1
83.08621	11.9
85.06522	3.7
85.10152	5.0
91.05459	4.5
93.07039	9.8
94.06564	3.1
94.24666	1.8
95.04948	8.0
95.08592	24.4
96.08100	1.7
97.06504	14.2
97.10149	8.1
98.06026	6.3
99.08076	19.2
100.07597	23.6
105.06997	4.5
107.08585	8.6
108.08100	2.8
109.10147	11.5
111.08110	2.0
111.11699	2.2
112.07585	4.2
113.00005	100.0
113.05983	13.3
115.07552	6.0
117.07064	2.1
119.08559	4.5
121.10120	3.4
123.11678	3.2
124.07616	1.8
126.09187	2.1
128.10680	3.1
130.08627	11.7
135.11644	3.3
137.13216	4.6
138.09117	4.8
156.10167	18.7
169.02599	97.0
245.22722	4.9
263.23682	8.3
280.26373	5.1
282.27936	4.9
298.27371	8.3
316.28436	8.0
320.29352	3.7
338.30453	4.0
356.31586	8.0
412.34119	6.9
419.54120	1.8
430.35190	70.9
431.35947	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	429.3723
Annotation	HMDB12168
Peak:m/z	Relative Intensity
50.68035	0.7
52.78490	0.8
53.03971	0.8
55.05509	4.3
56.00794	0.8
57.07070	9.8
60.92518	0.8
67.05493	8.6
69.07056	15.0
70.12466	3.7
71.08623	8.1
75.15587	0.8
79.05486	8.8
81.07046	29.5
81.07529	1.5
81.90487	0.8
83.08627	5.9
85.10173	4.8
91.05452	7.0
93.07027	9.9
95.04964	1.2
95.08601	27.3
97.06528	1.3
97.10168	4.0
97.95298	0.8
105.07028	8.0
107.04932	3.5
107.08581	11.5
109.06538	1.1
109.10141	8.9
111.11697	3.2
117.07004	2.9
119.08572	6.7
121.06534	4.3
121.10155	5.7
123.08041	1.7
123.11694	3.6
129.07010	1.1
131.08551	5.3
133.10123	6.4
135.08011	1.9
135.11678	4.9
137.09622	1.3
137.13208	1.5
142.07762	1.7
143.08562	2.9
145.10112	6.2
147.08057	1.5
147.11653	6.1
149.09608	3.0
149.13263	2.6
151.14685	0.9
151.35661	0.9
155.08563	1.6
157.10114	9.0
159.11678	9.4
160.08942	1.3
161.09633	2.8
161.13232	1.5
163.11154	4.2
163.14818	1.4
165.09090	4.7
169.10139	1.2
171.11670	2.7
173.09602	1.0
173.13257	3.2
175.11157	8.7
177.12766	1.2
177.16351	0.9
183.11636	1.7
185.13275	2.1
187.14865	1.5
189.12819	1.4
189.16386	0.9
190.52206	0.8
197.13206	1.5
199.14745	1.4
201.12666	1.8
203.14401	0.8
211.14767	1.3
213.16414	1.5
215.14265	1.1
215.18181	1.0
217.15823	1.1
223.30130	0.8
225.16502	1.0
229.15808	1.5
253.19476	2.3
267.21234	0.8
271.20486	1.4
303.26740	0.9
383.36737	1.4
393.35059	3.2
411.36130	10.7
429.37238	100.0
430.37616	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.23021	0.7
55.05490	2.9
57.07067	20.1
58.02943	2.2
60.04516	1.1
67.05502	6.2
69.07054	4.1
69.94888	5.2
71.08626	12.8
76.03983	1.3
79.05478	3.1
81.07047	10.2
83.08611	4.7
85.10174	7.1
91.05452	2.8
91.99632	0.9
93.07027	3.3
95.08588	7.7
97.10146	3.0
99.11739	1.0
105.07010	3.5
107.08597	7.0
109.10139	7.3
111.11712	1.5
117.06995	1.1
119.08568	4.5
121.10146	4.5
123.08038	1.5
123.11719	1.6
131.08537	2.6
133.10146	1.3
135.08057	6.0
135.11665	2.1
137.05984	1.0
137.09589	8.7
139.07542	2.2
141.62041	0.8
145.10109	2.6
147.11748	1.2
149.09608	15.6
151.07529	1.1
158.63164	0.8
159.07999	1.3
159.11636	3.2
161.09657	1.3
162.06734	1.3
163.11163	19.8
165.09096	100.0
166.09422	1.3
173.09624	3.2
173.13240	2.2
175.07486	1.3
175.11172	5.1
176.08374	1.2
177.09088	11.7
177.12663	1.6
179.10696	1.9
186.10362	1.1
187.11197	1.8
189.12756	2.5
190.09886	1.6
191.10637	11.6
201.12697	3.2
203.10686	2.7
203.14326	1.2
204.11327	1.5
205.12190	10.0
215.14276	1.4
219.13815	6.9
233.15384	2.2
238.06328	0.8
247.16922	2.8
261.18512	1.6
275.20059	2.1
282.82651	1.0
289.21600	1.8
303.23206	2.0
401.34311	2.6
402.57913	0.9
411.36362	3.1
429.37262	42.8
430.37866	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.8
53.03925	8.0
55.01857	12.7
55.05498	23.4
57.03431	35.9
57.23581	2.7
61.02920	41.9
63.46259	3.1
64.72232	3.1
65.03925	5.1
67.05497	49.0
69.03426	25.7
69.07055	10.1
71.01344	13.3
71.04970	8.1
71.52631	4.9
73.02903	15.0
79.05482	39.0
81.03409	97.5
81.07049	37.6
83.04962	12.6
83.08602	20.3
85.02893	52.2
91.03944	17.4
91.05421	38.0
93.07027	33.0
95.01331	4.6
95.04376	6.2
95.04955	100.0
95.08613	15.8
96.75008	3.4
97.02885	38.4
97.06506	5.9
97.10160	6.9
98.98456	4.6
99.04433	8.3
101.02393	6.7
103.03924	15.1
105.03377	4.0
105.07011	31.9
107.04281	4.4
107.04939	31.0
107.08591	19.5
109.02876	22.9
109.06505	12.1
109.10109	6.6
111.04417	7.8
111.08063	9.7
117.03251	4.3
117.05444	4.1
117.07014	19.8
119.04944	8.5
119.08569	26.5
121.02882	6.4
121.06476	18.2
121.10129	10.4
123.04411	59.0
125.09622	9.5
127.03882	13.3
129.06987	15.0
131.04936	7.3
131.08563	23.5
133.06441	8.7
133.10103	9.2
135.04407	6.1
135.08003	8.1
135.11638	10.1
137.05850	3.5
137.09573	3.3
139.03870	5.2
141.07082	4.0
143.08525	5.4
145.02826	7.3
145.04890	4.5
145.06470	10.8
145.10115	22.2
147.04370	19.9
147.08029	12.3
147.11719	14.5
149.02327	15.9
149.05966	10.8
149.09555	7.2
151.03877	5.2
151.07486	3.0
153.06955	3.6
153.09073	7.0
155.08627	3.3
157.06494	7.0
157.10106	12.5
159.11684	8.6
161.05862	6.6
161.09593	7.3
161.13225	4.8
163.11206	22.8
167.03387	6.4
169.09987	4.2
171.11679	6.7
173.09567	9.6
173.13237	3.6
175.11169	8.0
177.05429	21.7
181.04883	9.5
183.11691	3.6
185.13370	4.4
189.05486	6.8
189.09106	3.3
189.11185	4.8
189.12712	12.6
191.10657	6.8
193.04926	20.7
193.12239	35.6
205.12178	6.0
207.13823	16.5
211.13268	7.7
217.04904	3.6
217.12158	14.0
221.04465	4.0
223.06035	10.1
223.13197	5.8
235.13264	96.5
247.05925	4.5
247.13216	6.6
249.14828	5.0
253.14339	12.9
257.19049	6.3
259.13269	22.7
265.62750	3.1
267.15891	40.0
271.06323	3.0
273.14813	38.4
276.23190	3.1
277.14261	5.3
283.13147	5.3
285.17252	3.7
289.07108	4.5
289.14102	4.6
291.15936	4.6
301.14337	34.3
309.16946	41.7
315.15900	3.5
319.15436	5.8
330.59192	3.6
333.16895	3.5
345.16882	5.3
351.18063	3.7
359.02942	5.5
359.07315	4.0
375.17896	25.4
385.09143	12.8
393.18903	11.8
411.19934	12.3
429.12231	17.4
429.21274	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	429.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
53.86331	1.2
55.01863	5.2
57.03426	3.9
57.73838	1.3
61.02916	3.0
67.05488	1.3
68.99796	3.0
69.03423	23.7
69.07065	1.9
70.06587	2.2
70.78759	3.0
70.79134	2.3
71.04982	3.4
72.08157	1.5
73.02909	5.4
77.50200	1.1
79.05488	3.1
81.03413	25.0
81.07048	6.0
83.04974	2.8
85.02899	40.9
86.09718	2.0
87.00827	15.1
87.67913	1.3
91.03978	1.5
91.05431	5.8
93.07042	7.9
95.04969	15.1
95.15274	1.2
97.02889	17.4
97.06518	1.4
99.04451	8.4
103.03919	2.2
105.01864	14.3
105.07021	8.0
107.08575	8.9
109.02862	22.3
109.06529	2.9
113.02372	1.1
115.03843	1.5
117.01836	2.1
117.06998	3.8
119.04927	3.4
119.08533	3.1
120.05265	2.4
121.06530	3.2
121.10136	9.5
123.00815	1.6
125.06000	1.9
126.07215	1.1
127.03911	40.0
128.92125	1.1
129.01852	3.2
130.07793	2.7
133.06450	1.3
135.08017	1.3
135.11693	4.5
143.08557	1.9
145.04939	13.1
145.10112	13.4
147.02919	1.4
147.04396	3.1
147.08040	1.9
148.04709	2.0
149.05917	2.3
157.67326	1.1
159.02876	16.3
161.09531	1.8
163.11168	100.0
165.09149	1.8
167.05576	1.3
167.07022	3.2
175.03909	5.1
175.11134	1.9
176.04305	5.9
177.12685	1.3
181.12207	5.7
189.03969	2.3
193.12236	1.4
195.06580	2.2
205.12286	5.3
207.06502	12.0
208.06825	19.6
212.07414	3.5
213.03865	1.6
217.08476	2.5
221.11839	1.3
223.13298	7.9
225.07594	4.9
226.07881	7.9
231.04984	6.9
249.11346	3.2
267.12268	11.8
324.47946	1.2
359.02658	1.6
393.15424	2.9
411.16287	1.8
429.20978	5.4
443.50220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35390	2.1
51.47066	2.2
53.03930	3.0
55.01872	3.5
55.05516	4.1
57.03423	4.5
61.02906	5.8
67.05500	8.7
69.03403	3.2
69.07059	5.3
71.52863	3.1
79.05514	10.3
79.05874	1.9
81.03410	8.1
81.07048	9.5
83.04967	3.2
85.02887	4.3
89.99117	2.6
91.05441	6.5
91.05888	2.8
93.07055	3.9
95.04980	9.7
95.08591	5.6
95.97826	2.1
97.02896	5.5
97.06567	2.6
103.05453	4.6
105.07024	36.6
107.04942	29.8
107.08585	4.9
109.02858	5.1
109.10186	3.4
115.05452	3.4
119.08527	2.2
121.06546	3.7
121.81698	2.4
121.82542	2.0
123.04366	3.6
125.09653	2.3
128.27797	2.0
129.05569	2.1
131.08614	2.8
133.06479	100.0
137.06039	2.1
144.05670	2.4
145.02812	4.8
145.04808	2.5
145.06464	11.9
145.10110	3.3
147.04422	5.1
147.08049	7.6
147.11649	3.7
149.02316	16.4
154.07794	2.3
157.10156	3.2
159.08066	3.4
163.11180	2.5
171.08044	4.2
175.03935	2.7
177.05484	8.5
181.05016	10.1
193.04985	14.8
193.12286	4.7
208.19402	2.0
211.13315	6.3
223.07443	3.0
224.08372	2.3
234.94916	2.2
237.07309	3.5
249.09129	5.6
265.12216	3.0
272.67252	2.8
273.48535	2.3
285.10162	2.5
289.12213	2.9
309.16962	2.5
385.09235	4.5
413.61935	3.0
429.12021	13.4
429.16937	5.3
429.25653	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	429.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	61.4
57.03429	2.8
63.84977	1.7
69.03422	4.6
70.06563	4.2
71.51849	2.1
71.95255	3.0
73.04739	3.8
74.97626	2.0
84.04484	3.3
84.08127	1.9
84.11050	1.5
84.95626	1.4
84.96029	13.4
85.02902	8.5
91.05807	16.3
97.02856	3.7
98.97575	100.0
110.07137	2.3
110.97565	17.1
116.98609	70.2
127.03925	3.1
128.98601	38.9
131.00142	5.5
133.98932	1.8
134.99646	37.9
135.04419	1.9
136.06209	8.5
139.03899	2.2
140.00174	4.0
140.98581	4.4
143.00163	13.5
144.98071	2.6
145.02835	2.4
146.99644	34.4
147.11209	1.9
149.01250	4.2
152.98546	3.1
153.00685	3.8
158.99669	14.8
161.01192	21.0
162.99197	4.1
163.03891	9.9
165.00673	6.2
167.05559	6.3
170.99641	13.7
174.99129	4.1
177.00667	19.4
177.05508	3.9
179.02188	2.6
181.04897	3.0
185.01250	2.9
185.74138	2.0
189.00745	11.5
189.04224	1.9
193.00136	2.5
197.01218	3.4
201.00719	7.3
207.01703	2.1
209.01196	2.5
213.00697	5.1
215.02258	4.8
218.99777	1.7
219.01732	30.9
225.00662	5.9
227.02216	2.2
237.00769	4.6
237.02803	63.0
239.02284	2.2
242.03342	2.5
243.01749	9.8
249.00887	2.5
255.01709	9.0
255.03928	4.2
261.02802	3.9
262.03986	1.8
267.01990	16.5
272.05762	2.2
273.02881	10.4
279.01614	3.4
285.02872	12.3
288.38199	1.8
291.00827	3.2
291.04086	4.0
291.07230	2.5
297.02740	4.0
309.02939	15.1
309.08508	3.8
315.03873	4.2
321.02789	2.8
327.03726	6.0
339.08054	2.2
351.03281	2.9
359.02554	9.6
369.01007	1.5
369.04874	48.6
387.05945	93.6
388.06165	5.1
405.06860	9.5
410.07507	5.8
429.02670	2.7
429.08102	3.6
429.13675	34.8
453.79782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05507	19.3
56.08044	2.6
57.07058	8.5
67.05507	17.0
69.06718	3.7
69.07058	31.6
69.98139	2.1
70.59946	2.2
71.08606	2.9
71.26835	4.8
71.48303	2.2
75.70171	2.2
79.05481	13.2
80.96397	2.6
81.07047	44.1
83.04943	3.6
83.08609	25.0
91.05450	10.1
93.07024	20.3
95.08598	33.2
97.06544	3.0
97.10137	9.4
105.07014	18.7
107.04944	7.1
107.08582	22.3
109.06543	3.6
109.10132	18.2
112.41022	2.4
117.06974	4.1
119.08583	11.6
121.06484	2.5
121.10119	10.3
123.08031	3.5
123.11674	9.9
125.05937	2.5
131.08539	8.6
133.10100	10.6
135.08025	3.3
135.11670	8.0
137.13304	4.0
142.07739	2.3
143.08528	4.9
144.08054	7.9
145.10103	15.6
147.11673	8.9
149.09607	4.9
149.13194	6.9
156.56743	2.4
157.10078	9.3
159.11652	10.6
161.09579	5.8
161.13226	4.3
171.11661	4.3
173.09593	6.6
173.13287	3.5
175.11185	15.1
183.11710	2.2
185.13257	5.4
195.84221	2.2
199.14859	3.4
211.14861	4.5
213.16365	3.0
214.92953	2.5
215.14197	2.6
225.16371	3.8
227.35294	2.6
229.15939	2.9
269.18915	3.0
273.18292	3.7
275.29547	2.7
287.20050	3.8
336.73898	2.3
345.64560	2.8
359.36243	2.5
391.33597	2.7
409.34381	8.3
427.35632	100.0
428.25516	2.4
428.36105	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	428.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.1
59.04993	1.0
61.02922	0.8
69.03414	3.5
69.69649	0.8
70.06586	3.4
70.92439	1.8
72.08166	1.6
78.25236	0.8
79.05479	0.9
81.03371	1.7
81.07048	1.1
84.08097	1.5
85.02912	4.7
86.05904	0.9
86.09721	2.4
88.41595	1.0
91.05459	14.4
95.01307	7.4
95.04945	1.3
97.02881	7.9
103.05427	1.0
107.04910	0.8
109.02872	0.9
110.07113	0.9
113.02377	5.3
118.04162	1.9
119.04116	1.8
119.04928	23.9
121.02851	0.8
123.00777	7.6
125.02307	1.1
126.03768	1.0
127.03887	1.5
132.02049	1.5
137.88341	0.9
139.03815	1.3
141.01831	4.6
143.03378	2.3
147.04395	19.5
149.02336	1.2
151.03952	0.9
157.03947	1.9
164.04634	1.9
169.01340	3.3
175.03899	38.5
176.04248	1.4
177.01727	1.4
177.05556	1.1
179.07014	1.8
187.02411	1.6
192.04175	11.0
195.08127	1.0
207.06509	100.0
208.06926	4.5
208.08614	0.9
213.09091	3.6
225.07558	45.8
226.07864	2.5
231.10141	3.3
265.10678	4.3
266.11005	8.3
276.05664	1.0
362.58069	0.9
383.25906	0.9
425.71957	0.9
428.19031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94198	0.5
53.03929	0.7
54.26404	0.4
55.01859	0.9
55.05494	0.7
57.03437	0.5
65.03908	1.1
66.72858	0.4
68.99782	0.7
69.03422	4.5
69.07071	1.0
69.22200	0.4
70.06586	3.4
70.83563	0.4
70.83913	1.5
72.08138	1.3
74.14626	0.4
79.05495	0.8
81.03391	2.0
81.07066	0.8
83.04956	0.5
84.04466	0.6
84.08127	1.3
85.02909	4.8
86.09694	3.6
87.00792	0.8
91.05469	14.6
92.05771	0.7
93.07034	1.1
93.71584	0.5
95.01327	6.2
95.04955	1.3
97.02883	8.2
98.06019	0.6
99.04424	0.6
103.05408	0.7
104.10752	2.5
105.03321	0.5
105.07013	1.9
107.04943	1.6
107.08559	0.7
109.02872	1.8
109.06561	0.5
110.07124	0.6
113.02348	5.0
117.07001	0.7
118.04102	0.9
119.04932	24.6
120.05278	1.0
120.08090	1.6
121.06477	0.8
121.10102	0.8
123.00774	6.7
123.04427	0.6
124.99987	0.9
125.02327	1.1
127.03892	2.4
132.02036	1.1
133.06490	0.7
135.04359	0.9
136.05141	0.6
136.07596	0.5
141.01804	4.3
143.03391	2.3
145.04959	0.6
145.10104	1.0
146.03445	0.6
147.04396	20.2
148.04750	0.8
149.02325	1.3
152.00218	0.6
153.05417	0.6
154.94556	0.5
157.03923	1.4
159.02907	0.8
161.05965	0.6
163.03883	0.9
163.11174	4.5
164.04643	1.8
165.05450	0.7
167.03360	0.6
167.07021	0.6
169.01306	4.2
173.05858	0.6
175.03900	39.4
176.04305	1.0
177.01833	0.6
177.05467	1.4
179.06995	1.5
182.08044	0.5
183.06493	0.7
184.07347	2.1
184.30881	0.5
187.02328	1.4
192.04164	10.5
193.04768	0.6
195.06549	1.6
196.06937	0.7
202.09328	0.6
207.06512	100.0
208.06825	3.7
215.06926	0.8
217.08621	0.5
218.70976	0.6
219.10234	0.7
225.07558	40.9
226.07878	1.3
230.08873	0.7
247.09727	1.8
248.09949	3.2
261.07632	1.0
265.10727	1.5
266.11050	3.1
267.12259	0.6
298.04456	0.6
343.66318	0.5
369.40182	0.5
370.22580	0.5
410.09341	0.6
426.22238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1595
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01872	2.2
55.05491	0.9
55.12085	0.5
56.05026	0.5
57.03422	1.0
61.02897	1.2
64.49968	0.4
65.33846	0.4
66.04173	0.4
67.05491	0.9
67.28143	0.5
68.99782	1.3
69.03419	3.7
69.07030	0.6
70.06570	1.9
71.01338	0.8
71.04955	0.5
71.07365	1.2
72.08142	1.6
73.02921	0.6
79.05471	1.9
81.03410	3.1
81.07053	2.5
83.04961	1.3
84.08114	0.7
85.02892	7.7
85.80553	0.5
86.09686	2.0
87.04439	0.7
91.05466	1.7
93.03394	0.5
93.07023	0.7
95.04945	2.0
97.02870	3.3
105.07004	2.2
107.04937	2.0
107.08545	0.7
109.02839	2.4
109.06499	5.8
111.04414	1.3
114.76857	0.5
115.05450	0.6
116.07055	0.8
117.06990	2.6
119.04936	3.1
119.08506	0.8
120.08002	0.7
121.02850	1.7
121.06474	1.5
123.04389	2.0
125.02315	1.3
127.03873	2.0
128.06207	0.6
129.06993	0.9
130.07698	0.6
131.04955	0.6
131.08498	1.5
133.06436	1.0
135.04401	3.5
135.07994	0.7
137.02296	1.1
137.05919	0.9
139.03885	3.7
141.06941	0.6
142.07741	0.8
143.08539	1.3
145.04922	0.8
145.06430	2.1
145.10072	1.6
147.04356	2.8
147.08018	0.8
149.02338	8.1
149.05872	0.6
151.03914	4.8
153.05443	2.2
153.06839	0.5
155.03368	3.2
155.05914	0.5
155.08566	1.8
158.07185	0.7
159.08043	0.8
161.05972	2.2
161.09557	1.1
163.03870	2.1
163.07535	1.8
167.03386	5.9
171.08014	1.5
173.05957	0.5
173.09621	3.1
175.03903	2.2
175.07507	1.5
177.05453	1.7
177.09145	1.2
179.03369	5.3
179.06953	0.7
183.08028	1.4
186.06773	0.5
187.07477	0.8
189.05443	1.1
189.09047	1.4
191.03394	1.1
191.06940	1.1
193.04852	0.8
195.06523	1.9
197.04427	42.8
198.04865	0.8
199.07487	1.5
201.05457	1.1
201.09099	3.4
203.03362	0.8
203.07019	0.8
203.10741	0.7
205.04860	1.2
205.08556	1.3
207.06471	1.6
211.07674	0.7
217.08589	8.2
219.10109	2.5
229.08525	3.4
235.09637	0.6
237.11075	1.1
247.09653	6.2
257.04337	1.3
257.08380	0.5
265.10675	100.0
266.10928	2.9
275.05399	1.0
287.05325	0.7
294.05490	0.6
307.06116	1.1
325.06909	2.0
337.07104	0.7
358.48758	0.5
367.08096	0.6
379.08093	1.0
391.08084	1.4
409.09167	2.3
427.10162	2.1
427.19693	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	427.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
57.07064	0.5
67.05505	0.5
69.07059	7.9
69.48380	1.9
69.48796	1.0
73.06525	2.0
74.35649	0.4
82.19224	0.4
83.04973	0.6
84.08153	0.5
86.09693	100.0
87.10005	1.1
98.21506	0.6
112.07557	0.6
114.37241	0.4
153.12773	0.4
168.13808	1.2
169.36893	0.4
186.14865	73.9
187.15187	2.0
214.14348	28.1
215.14613	0.7
293.98340	0.4
299.23242	0.5
314.19565	11.2
322.36230	0.4
327.22772	0.5
399.28561	6.3
432.71268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1597
Annotation	Devenyoside B
Peak:m/z	Relative Intensity
53.03928	1.1
55.01861	1.0
55.05498	0.7
56.48575	0.5
57.03418	1.1
61.02909	1.3
67.05499	1.2
68.99780	1.2
69.03431	4.5
69.35299	3.7
69.35709	1.1
70.06569	0.7
72.08131	0.6
73.02883	0.6
77.45432	0.5
79.05466	0.6
81.03410	4.3
81.07036	0.9
83.04964	0.7
85.02899	8.7
86.09676	0.6
88.72753	0.5
91.03963	0.5
91.05501	1.1
95.04953	3.3
97.02901	3.1
98.21571	1.2
99.04448	0.6
99.37060	0.5
103.05440	0.6
105.07015	1.6
107.04926	0.9
107.08570	0.8
109.02873	2.3
111.04420	1.3
117.07024	1.3
119.04942	3.1
119.08592	0.7
121.02851	1.7
121.06470	0.9
123.04440	2.5
125.02316	0.6
127.03918	1.8
129.06960	1.0
131.04840	0.7
131.08589	1.2
133.02892	0.8
135.08011	0.6
139.03871	4.8
143.08527	0.8
145.04919	0.8
145.06479	1.6
145.10139	1.2
147.04396	1.2
147.08031	0.8
149.02332	18.7
150.02705	0.6
151.03879	9.8
155.03372	4.8
155.08514	1.9
158.07288	1.2
159.08081	0.9
161.05910	0.6
166.02600	0.8
167.03380	14.1
169.04936	1.4
173.09625	4.5
175.07527	0.8
179.03375	10.4
180.22061	0.6
183.08057	0.8
186.06862	0.6
195.06502	2.3
197.04437	85.1
198.04741	1.6
199.07620	0.7
201.09087	5.7
207.06555	0.7
217.08586	1.7
219.10130	2.6
229.08598	7.8
237.11220	1.3
247.09636	7.7
265.10681	100.0
266.10983	2.6
427.16202	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	427.1597
Annotation	Devenyoside A
Peak:m/z	Relative Intensity
52.47435	1.4
53.03926	2.0
54.66771	1.2
65.84718	1.2
67.05457	1.5
69.03413	4.6
69.07063	31.7
70.06599	2.0
70.23563	5.7
72.08115	2.2
79.05464	4.8
81.03407	3.6
81.07044	2.8
84.04469	1.4
84.08112	1.5
85.02904	10.0
86.09701	3.4
87.49586	1.7
91.05450	2.1
93.06998	2.0
95.04960	1.6
95.81876	1.2
97.02866	4.2
105.06958	1.6
107.04938	13.2
109.02903	1.6
110.32163	1.4
111.42952	1.2
119.08597	2.5
121.02854	1.6
127.03873	2.6
131.08549	1.4
133.02815	2.6
133.10172	1.6
134.03604	1.4
135.04424	13.6
147.04364	1.4
151.03876	1.8
163.03888	74.6
163.11137	2.9
163.49826	1.2
164.04102	1.6
177.05415	5.5
179.03368	13.5
181.04999	1.6
191.03342	21.5
191.10658	4.1
193.04951	3.6
201.09377	1.3
205.04962	3.2
209.04431	41.5
210.63966	1.3
219.10144	12.6
247.09625	29.2
265.10681	100.0
266.11023	2.5
313.07004	3.9
320.99411	1.4
353.10083	2.1
370.69510	1.5
397.08340	1.4
427.10226	7.0
427.19202	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	427.1599
Annotation	Devenyoside B
Peak:m/z	Relative Intensity
53.03928	1.2
55.01863	2.3
55.05504	0.6
57.03416	1.3
60.04530	0.4
61.02898	1.4
67.05476	0.9
68.99778	0.9
69.03425	5.1
69.07050	0.7
70.06582	3.8
70.87921	1.2
71.01337	0.8
71.04955	0.9
72.08147	3.3
73.02915	0.4
79.05489	1.9
81.03416	2.4
81.03799	0.4
81.07056	2.7
83.01311	0.5
83.04991	1.9
83.05412	0.4
84.08124	0.6
85.02898	11.2
86.09689	4.2
87.04446	0.4
91.03926	0.5
91.05460	2.5
91.82922	0.4
93.03388	0.8
93.07024	1.7
95.04939	1.8
97.02884	3.3
97.90304	0.4
99.04424	1.2
99.43172	0.4
103.05434	0.8
105.07017	2.4
107.04922	1.9
107.08558	0.5
109.02870	3.8
109.06505	4.8
110.07086	0.4
111.04408	1.1
115.05404	0.8
116.07069	0.8
117.06992	2.1
119.04941	3.6
119.08596	0.8
120.08118	0.4
121.02856	1.1
121.06498	2.4
121.10107	0.5
123.04391	1.4
125.02300	1.0
127.03922	2.8
128.06158	1.2
129.06966	1.0
131.04912	0.7
131.08534	1.6
133.02887	0.6
133.06459	1.5
135.04408	3.8
135.08119	0.9
137.02313	0.6
137.05991	1.0
139.03893	2.6
141.06998	0.6
142.07793	0.9
143.08537	1.3
145.04942	1.1
145.06444	1.8
145.10078	2.1
147.04396	3.4
147.07991	1.3
149.02324	2.4
149.05930	1.5
149.09602	0.5
151.03934	2.9
153.05429	1.8
153.06900	0.5
155.03348	1.1
155.08578	2.4
157.06502	0.5
158.07281	1.1
159.04375	1.2
159.08032	1.9
161.05930	1.7
161.09543	0.8
163.03870	3.7
163.07513	1.8
164.04617	0.8
167.03337	2.5
171.08028	1.8
171.14867	0.7
173.05943	0.9
173.09605	2.5
175.03850	1.8
175.07512	1.7
177.05424	3.3
177.09048	2.0
179.03377	2.7
179.06955	1.0
183.08015	1.8
187.03899	1.6
187.07529	2.5
189.05394	1.1
189.09021	2.0
191.03340	1.4
191.06969	1.5
191.10667	0.5
193.04964	1.5
195.06516	2.3
197.04428	10.5
199.07521	2.5
199.14430	0.8
201.05441	1.7
201.09038	4.1
201.10536	0.5
203.03374	0.7
203.06982	1.5
203.10764	0.5
205.04958	2.5
205.08566	3.5
206.05832	0.6
207.06461	1.3
209.04338	0.6
211.05971	1.2
211.07669	0.8
213.08974	0.6
214.06204	0.9
215.06908	0.5
216.07849	0.7
217.08559	7.5
219.06503	1.5
219.10184	3.0
221.08066	0.6
222.04910	0.6
223.06020	1.7
229.08592	4.9
231.06587	0.5
235.09706	0.6
237.07564	0.9
237.11226	2.9
247.09645	10.9
257.04221	0.5
265.10675	100.0
266.11087	3.4
275.05429	0.6
287.05469	0.6
353.12228	0.4
409.08936	0.7
427.16858	1.5
427.18900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1019
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03933	1.2
55.01860	4.4
65.03925	1.0
67.01873	0.8
67.05485	1.9
68.93961	0.8
68.99448	0.7
68.99789	8.9
69.03415	1.0
69.20474	5.9
69.20888	1.6
70.06574	3.2
76.93153	0.6
77.03923	1.2
79.05490	1.2
81.03412	1.2
83.04974	0.8
84.08141	0.7
85.02899	2.1
91.05478	1.0
93.03412	1.2
95.04945	3.5
97.02834	0.8
99.70499	0.7
105.03398	2.4
107.01353	0.7
107.04944	3.5
109.02859	1.7
111.00786	4.6
111.04431	4.5
114.05512	1.2
115.05412	1.5
117.06960	0.8
119.04932	2.5
121.02865	3.7
121.06499	1.0
123.04418	54.8
124.04733	1.2
127.03897	2.7
131.04906	1.7
133.02858	2.1
134.42081	0.8
135.04401	17.2
137.02318	1.9
137.05940	2.1
139.03889	100.0
140.04205	0.7
145.06432	1.4
147.04361	5.3
149.02281	2.1
149.05997	1.9
150.07744	14.9
151.03891	8.8
153.01746	1.6
155.04927	1.3
157.06473	0.8
159.04364	2.2
161.05971	2.9
161.09659	0.7
163.03896	19.9
165.01840	1.1
165.05464	5.3
167.03394	15.1
169.06412	1.0
173.05981	2.1
175.03903	9.1
177.05463	6.3
179.03380	23.4
181.04973	1.5
181.06500	2.0
183.04433	1.2
185.05984	1.9
187.03841	5.1
187.07524	0.8
189.05469	5.7
191.03378	32.8
192.03845	1.0
193.04938	9.1
193.06520	0.9
197.05991	1.4
199.07617	1.1
201.05453	10.4
203.03375	21.8
203.07146	1.0
205.04929	5.5
207.06606	1.0
209.06007	1.0
213.01053	0.8
213.05394	3.8
215.03427	2.9
215.06995	1.0
217.04996	4.4
219.06627	1.2
220.07593	1.7
221.04466	1.1
223.02547	0.9
227.03319	0.9
227.06984	1.4
229.04939	17.5
231.06615	2.2
233.04430	16.1
238.08743	1.3
241.05028	3.2
243.06581	1.2
245.04453	11.7
247.06010	18.0
247.08669	1.0
247.09702	1.4
248.06432	1.0
249.03581	0.9
251.05482	3.6
255.06586	5.0
257.04422	29.2
258.05170	2.8
259.06024	10.6
265.10699	3.1
268.09769	1.1
269.04456	4.4
271.06018	4.6
275.05466	37.8
283.05981	14.8
287.05478	58.3
295.11465	5.0
299.05536	4.5
301.07050	11.2
312.08826	2.0
315.92203	0.8
324.02380	0.9
367.08264	0.9
391.08200	1.6
409.09137	26.0
427.10202	3.0
427.19620	1.1
443.04120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24009	0.1
53.03921	0.2
55.01860	0.6
57.04537	0.5
57.58305	0.1
65.03934	0.2
68.99786	0.8
69.03425	0.3
70.06576	0.7
70.16366	0.5
71.32150	0.2
72.08135	0.2
75.52543	0.1
81.03401	0.3
84.04504	0.2
84.08107	0.2
85.02885	0.4
86.09669	0.4
91.05458	0.3
93.72022	0.1
94.04037	1.5
94.06100	0.2
95.04977	0.4
98.21371	0.2
105.03400	0.2
107.04952	0.3
108.58458	0.2
109.05164	0.2
111.00775	0.4
111.04427	0.4
112.05077	0.2
119.03564	0.3
119.04913	0.3
121.02864	0.5
123.04417	5.4
123.06660	0.6
124.04775	0.2
125.02415	0.2
127.03879	0.4
133.02826	0.2
133.05064	0.3
135.04416	1.6
135.05338	0.3
137.02306	0.3
139.03888	9.5
147.04411	0.6
148.06120	0.3
149.02382	0.3
149.05946	0.2
150.07733	100.0
151.03929	1.0
151.08167	1.1
153.01794	0.2
153.07004	0.2
159.04411	0.3
159.67293	0.2
161.05942	0.4
163.03868	2.6
165.05453	0.6
167.03436	1.1
169.06488	0.2
173.05891	0.2
175.03862	0.9
176.05634	0.2
177.05460	0.7
179.03371	3.0
181.04936	0.3
181.06439	0.3
185.05988	0.3
187.03899	0.7
189.05476	0.5
191.03377	3.5
193.04951	0.9
195.06433	0.2
201.05437	0.9
203.03378	2.1
205.04985	0.7
213.05470	0.3
215.03342	0.2
217.04959	0.4
219.10080	0.2
220.07603	0.2
223.07603	0.3
229.04956	1.7
231.06506	0.3
233.04382	0.9
234.50818	0.2
238.08604	0.3
241.05025	0.6
245.04482	1.2
247.06047	2.1
251.05467	0.3
255.06531	0.4
257.04465	2.6
258.05087	0.4
259.06003	2.1
265.10703	0.4
266.07916	0.2
269.04446	0.3
271.05991	0.7
275.05475	3.6
282.12018	0.7
283.05991	1.4
287.02216	0.3
287.05469	5.7
288.06046	0.3
295.11462	18.8
296.11563	0.3
299.05731	0.4
301.07062	1.3
312.08582	0.3
391.08203	0.2
409.09143	2.7
427.10257	1.0
427.19119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.102
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02376	0.8
51.36298	0.7
53.03933	1.0
55.01865	4.9
60.04513	0.7
65.03930	1.3
67.05477	1.0
68.99775	9.3
69.03391	0.9
70.06591	4.4
71.15187	1.5
72.08143	4.6
77.03917	1.3
79.05481	1.5
79.25439	0.7
81.03397	0.9
83.04980	1.0
85.02890	0.6
88.03958	0.6
89.54056	0.7
91.05450	1.3
93.03377	1.0
95.04949	2.7
98.38193	0.6
103.05446	0.7
105.03384	1.8
106.70223	0.6
107.04910	3.7
109.02866	1.7
110.07185	0.8
111.00790	3.5
111.04424	4.1
117.03406	0.8
119.04919	2.3
121.02854	2.9
123.04412	54.6
127.03905	3.7
127.66711	0.6
131.04915	1.4
133.02864	1.5
135.03410	1.0
135.04404	16.2
136.07576	0.7
136.28401	0.7
137.02316	1.8
137.06015	1.3
139.03885	100.0
140.04207	1.2
141.06955	1.2
145.02812	1.4
145.06482	1.0
147.04384	6.8
149.02321	2.0
149.05989	1.8
150.07739	4.1
151.03882	10.5
153.01744	1.0
153.06987	2.4
155.04927	1.3
159.04468	1.5
161.02336	0.9
161.05983	2.6
163.03876	23.0
165.05482	5.6
167.03392	14.0
171.04396	1.1
173.05974	3.2
175.03886	10.6
177.05457	7.2
179.03375	18.0
181.04962	1.6
181.06477	1.8
185.06010	2.1
187.03909	5.0
189.05434	6.0
189.94038	0.7
191.03363	32.9
193.04947	8.7
195.06517	1.0
199.03836	0.9
199.07547	1.0
201.05437	9.1
203.03374	22.0
203.06998	1.2
205.04929	4.8
207.06471	0.9
209.05940	0.9
213.05466	4.2
213.08748	1.1
215.03389	2.2
217.04924	5.0
219.06569	0.9
225.05373	0.8
227.07043	0.8
229.02670	1.0
229.04924	16.0
230.05812	0.9
231.06557	2.3
233.04416	12.4
237.05463	1.1
241.04959	3.3
245.04428	12.1
247.05991	19.1
247.08461	1.2
251.05490	6.8
255.06516	5.0
257.04416	26.9
258.05154	2.6
259.05981	14.2
269.04520	4.0
269.07141	0.8
271.06015	5.0
273.07605	0.9
275.05460	36.5
277.35800	0.7
283.05981	14.7
287.05469	63.6
288.05826	1.5
299.05539	5.7
301.07022	10.7
379.08066	1.5
391.08029	1.9
409.09146	24.3
410.09656	1.1
427.10400	6.5
427.19418	3.4
435.58939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01853	0.7
57.03426	0.9
61.02899	0.5
68.99784	0.8
69.03429	3.2
69.07054	0.5
69.22535	1.2
69.22964	1.6
70.06587	1.5
70.75916	0.3
71.04984	0.5
72.08144	0.3
73.02901	0.9
77.03924	0.3
77.49055	0.3
79.05488	0.4
81.03409	3.3
83.88574	0.2
84.08115	0.5
85.02901	6.6
86.09707	1.4
87.00830	2.4
89.03904	0.7
95.04952	0.3
97.02876	2.1
99.04446	1.7
105.01849	2.0
105.03368	0.5
105.83514	0.3
107.04897	0.3
109.02863	4.1
116.07085	0.4
117.01810	0.4
121.02844	0.3
123.04418	11.0
127.03911	5.6
129.01865	0.5
133.02843	9.8
135.04414	1.8
139.03926	1.7
145.04973	1.4
147.04329	0.4
151.03886	4.2
159.02885	1.8
161.05992	0.3
163.03903	2.3
171.60808	0.3
178.02577	0.4
179.03377	100.0
180.03778	2.1
191.03340	0.9
191.06657	0.3
203.03459	0.7
205.04878	0.5
205.08553	0.3
207.07637	0.9
209.04451	1.3
215.07011	0.3
217.08562	0.3
219.10323	0.3
221.04282	0.3
229.04977	0.3
231.04927	0.5
238.95822	0.3
241.05205	0.3
242.91142	0.3
247.05766	0.4
247.09627	0.8
251.05302	0.3
257.04343	0.4
259.06033	0.4
263.09055	0.5
265.10672	3.1
275.05481	0.7
287.05569	1.0
312.19064	0.4
363.08661	0.3
409.08832	0.5
427.09543	0.7
427.25455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97371	4.5
57.73970	4.2
70.73962	5.0
70.74309	11.6
76.81332	4.7
81.03397	4.4
82.32486	4.6
84.45238	4.2
84.91196	5.3
91.43228	4.8
98.97581	5.0
103.00651	5.5
106.17243	4.2
109.46937	4.2
119.01890	6.5
121.01670	17.2
123.04422	6.2
133.01678	9.5
139.03963	8.3
145.01665	18.6
147.03255	6.1
150.07732	9.9
157.01677	11.5
161.02962	8.9
162.03062	5.9
163.02650	37.5
173.03029	5.7
175.02744	15.9
183.20378	4.2
185.03003	8.2
187.02731	27.9
199.02776	5.5
205.03857	15.6
217.03804	5.0
229.03871	5.2
245.04880	12.6
246.05246	6.7
247.04819	100.0
263.05740	4.2
265.05823	22.5
277.05927	6.7
298.04898	6.4
307.07312	7.6
367.09320	6.0
427.06372	26.8
427.15829	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	427.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.3
53.03938	1.2
55.01858	1.0
55.79322	0.2
57.03416	0.6
61.02902	0.7
66.15082	0.2
67.42495	0.3
68.99770	0.7
69.03420	3.5
69.07057	0.3
70.06586	1.2
70.64780	0.4
70.65122	0.5
71.04964	0.5
73.02896	0.7
77.03915	0.2
81.03411	3.9
85.02898	6.1
86.09691	0.6
87.00817	2.8
89.03892	0.4
91.03909	0.2
91.05467	0.2
95.04948	0.4
97.02878	2.5
99.04416	1.3
105.01871	2.1
105.03339	0.6
107.04926	0.3
109.02863	4.8
116.07085	0.3
117.01846	0.5
117.03342	0.6
121.02825	0.4
123.04413	11.8
127.03911	6.6
129.01819	0.6
133.02843	8.7
135.04416	2.5
136.06219	0.3
139.03877	1.1
145.04956	1.5
147.02802	0.3
147.04398	0.3
151.03880	4.1
159.02870	2.3
163.03879	1.5
179.03374	100.0
180.03706	1.6
181.05020	0.3
185.69286	0.2
191.03386	0.8
197.37706	0.2
201.05508	0.3
203.03313	0.3
205.05037	0.3
207.07759	0.4
209.04457	0.7
221.04245	0.3
229.05060	0.3
231.04857	1.4
245.04451	0.3
247.09674	0.5
257.04434	0.7
259.06021	0.3
263.09122	0.8
264.09540	0.5
265.10513	3.0
275.05463	0.8
287.05441	1.0
409.09204	0.8
427.09775	0.3
427.19632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1437
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
52.17918	1.4
53.03947	1.4
53.41853	1.3
55.01864	4.4
55.05507	2.9
57.03434	3.0
61.02903	1.8
67.05485	4.0
68.99780	1.5
69.03412	8.6
70.06595	7.8
71.52881	2.0
72.08131	2.5
72.53877	1.2
75.96370	1.3
79.05476	4.4
81.03410	6.3
81.07043	4.3
83.04968	2.5
84.08128	1.3
85.02892	17.7
86.09692	4.9
87.04452	1.9
91.05482	6.4
93.06976	1.7
95.04958	2.4
95.08599	2.1
97.02880	5.3
105.07023	4.6
107.04944	34.2
109.02873	4.2
109.06530	3.6
109.10146	1.6
110.07174	2.1
110.21035	1.6
110.84959	1.3
113.41557	1.3
115.05434	2.0
119.04952	4.7
120.08077	3.1
121.02863	2.2
121.06493	1.6
121.10141	1.6
123.04440	2.9
127.03918	5.7
128.06197	5.5
129.06966	2.2
129.10211	1.7
131.08575	1.8
133.06534	2.6
133.10155	1.6
135.04404	4.6
136.53906	1.3
137.02272	1.5
139.03854	2.9
143.04991	1.7
143.08554	6.1
145.06519	2.0
147.04401	43.1
147.08049	2.4
149.02299	2.4
149.05997	2.4
151.03888	2.4
153.01874	2.1
157.06458	1.9
159.04306	1.7
161.05974	5.9
161.09578	2.7
163.03935	6.8
165.05481	2.5
171.08003	8.8
174.06825	1.8
175.03891	29.0
175.07498	3.6
177.05518	1.6
179.03452	3.4
181.06598	1.5
184.05223	1.8
185.06024	1.6
187.03851	2.0
189.05458	6.2
189.09059	18.2
191.03383	18.6
191.08202	3.1
193.04878	1.7
199.07597	8.0
201.05434	6.5
201.09088	5.8
202.06238	2.7
203.03377	19.0
203.06955	7.9
205.05060	3.2
205.09737	4.4
217.05154	2.7
217.08565	53.7
227.07016	7.6
230.05614	2.7
235.09607	7.8
245.04384	4.1
245.08067	81.6
246.08400	3.8
253.05251	2.5
257.04440	5.0
263.09134	100.0
264.09457	3.4
271.05963	2.9
287.05496	4.6
299.05557	2.1
301.07043	5.4
319.08002	2.1
339.15549	5.6
407.11526	7.3
425.08511	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	426.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
56.05814	2.1
57.03427	5.0
57.07070	22.8
62.06076	22.6
67.05498	7.8
69.07053	5.3
69.67468	3.4
69.67879	14.1
71.08627	15.1
74.58759	2.1
81.07044	7.8
85.10176	7.9
93.07037	2.6
95.08599	9.9
98.21494	4.5
98.98452	6.7
104.17706	2.3
105.07051	4.6
107.08586	4.1
109.10147	4.4
121.99960	2.6
123.11663	2.8
140.70255	2.8
155.01018	6.3
168.15259	2.1
190.55157	2.0
198.05321	3.5
214.18019	22.7
218.97020	2.3
237.14885	2.3
254.24672	9.2
285.24210	100.0
365.20776	5.9
405.44846	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.49966	10.6
57.07067	16.9
67.05497	31.7
69.07044	40.0
70.95637	28.9
79.05466	15.9
81.07068	69.2
83.08593	25.9
89.05984	16.1
93.07026	27.8
94.25760	11.1
95.08615	73.7
97.10225	12.8
105.07024	40.3
107.08594	68.3
109.10142	67.6
119.08560	48.4
120.64702	12.2
121.10117	46.6
123.11716	14.5
133.10123	35.6
135.11658	32.9
140.29866	12.0
145.10077	21.0
147.11674	26.1
149.13226	34.0
157.10158	16.6
159.11707	20.4
161.13243	25.5
163.14827	15.1
175.14853	31.7
179.14226	16.5
185.13200	13.7
187.14793	25.0
191.17845	16.0
203.17880	24.3
210.40157	13.2
213.16470	12.9
224.77054	12.1
231.21118	16.0
407.36835	38.7
425.32520	15.5
425.37964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Glochidone
Peak:m/z	Relative Intensity
52.21557	1.7
54.30478	2.0
55.05503	8.8
57.03426	3.1
57.07064	5.0
57.56772	1.6
67.05499	20.1
69.07066	18.9
69.63618	8.8
71.04982	2.0
71.08614	2.6
79.05487	10.0
81.07045	32.3
83.04974	3.5
83.08618	6.1
85.06537	1.9
89.05997	2.5
91.05464	8.0
93.07034	17.8
95.04944	2.4
95.08598	39.9
97.06512	2.0
97.10138	4.6
105.07021	14.2
107.04881	1.7
107.08582	25.8
109.06520	8.0
109.10136	26.0
111.11739	2.8
117.06995	2.1
119.08575	16.2
121.06458	3.6
121.10133	24.7
123.08059	30.7
123.11709	13.7
126.22260	1.8
131.08549	5.1
133.10118	14.0
135.08064	6.7
135.11664	17.9
137.09613	3.4
137.13235	6.6
143.08554	4.0
145.10092	9.8
147.08014	2.3
147.11673	11.4
149.09608	3.9
149.13263	14.0
157.10132	5.2
159.11665	8.6
161.09584	2.6
161.13243	7.3
163.14824	3.6
171.11662	4.9
173.13242	6.4
175.14830	6.6
177.12747	1.7
177.16443	3.4
179.14301	33.7
183.11726	2.4
185.13206	2.9
187.11107	2.1
187.14827	3.9
189.16441	5.3
191.17935	5.6
193.15767	2.0
199.14813	4.0
203.17885	1.9
205.15874	2.8
213.16243	3.2
215.17979	4.6
217.15880	5.1
217.19537	2.5
219.17455	4.5
231.17516	2.3
233.19000	3.0
239.17976	3.3
241.19395	2.0
253.19551	1.9
259.20566	4.0
267.21194	2.6
285.22162	6.5
331.26382	16.9
349.27280	3.4
405.35049	6.3
423.30920	42.1
423.36191	100.0
424.31198	6.8
424.36533	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	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
57.03427	0.9
69.27714	7.8
82.99849	1.4
94.29868	0.8
97.02855	1.8
98.97549	1.2
101.00870	16.9
109.02905	1.0
109.56602	0.8
113.00857	2.4
119.01917	35.7
127.02364	2.3
128.08447	0.9
130.16560	0.8
131.01892	12.1
137.02948	3.7
139.02420	1.0
143.01883	36.0
144.01952	1.0
145.03447	13.6
147.01440	1.7
149.02916	2.1
153.04002	1.1
155.01889	17.6
157.03426	7.3
161.02948	70.9
162.03004	2.0
163.04538	1.0
167.01874	8.0
169.03494	4.1
171.05003	3.2
173.01427	1.4
173.02940	25.8
175.04532	1.4
179.01936	4.6
179.03946	1.8
181.03581	1.3
184.04514	1.8
185.02940	47.9
186.03087	1.3
187.04539	5.0
191.04005	6.5
193.11465	0.9
197.02945	20.2
203.03984	20.2
208.04482	1.2
209.03029	1.9
215.04039	9.3
221.05077	1.7
226.01183	0.9
227.03967	9.0
233.05209	1.0
236.84187	0.8
245.05058	100.0
246.05167	5.4
257.05011	4.4
263.06122	29.4
264.06244	1.3
275.06091	11.9
286.07578	1.3
293.07147	3.9
305.07071	7.9
365.09219	4.1
425.11005	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42932	1.1
56.96561	2.8
63.59938	1.2
70.06597	2.2
73.25087	1.1
82.99836	1.3
93.80447	1.1
98.97575	2.8
101.00876	8.7
117.05827	1.2
119.01911	21.7
127.02393	1.1
128.98573	1.6
131.01895	8.3
133.03426	1.4
137.02942	2.6
143.01895	24.2
145.03444	9.8
149.02951	1.6
155.01909	10.6
157.03423	5.6
161.01588	2.4
161.02948	48.8
167.01852	7.5
169.03487	3.7
171.05064	2.1
173.02953	19.7
175.04553	2.0
179.01826	2.8
179.03879	1.2
184.04538	1.5
185.02959	32.6
187.04491	4.1
191.03990	4.4
197.02951	14.1
203.04018	14.8
208.04512	1.3
215.03992	8.5
221.05029	2.3
227.04005	5.3
245.05055	100.0
246.05251	2.1
257.04929	5.5
263.06122	23.6
275.06088	13.1
281.01855	1.4
293.07086	4.7
305.01682	1.8
305.07126	10.0
323.03021	1.2
335.08130	2.5
349.18912	1.3
365.09192	5.2
425.05841	2.0
425.11478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.59035	1.1
55.01846	1.4
55.05508	24.4
57.03430	3.2
57.07068	7.4
57.40740	1.0
59.04985	3.1
65.03929	4.1
67.05497	100.0
68.05840	2.4
69.03417	2.6
69.07061	44.9
71.04980	6.0
77.03880	1.4
79.05482	29.4
80.50122	1.2
81.07045	83.6
82.07360	1.5
83.04974	20.6
83.08610	19.0
83.09071	2.0
85.06523	7.1
85.08528	1.1
91.05466	25.3
93.07034	47.2
94.07337	1.3
95.04970	7.4
95.08598	57.8
96.08939	1.5
97.06516	7.9
97.10161	7.7
99.08089	3.1
105.04514	1.3
105.07021	29.1
107.08584	46.9
109.06507	6.7
109.10146	79.3
110.10475	2.3
111.08062	5.0
111.11709	1.8
117.07010	6.3
117.28362	1.2
119.04914	1.6
119.08562	25.8
119.09364	1.8
121.06436	2.3
121.10131	40.8
123.08076	6.9
123.11697	23.3
125.09622	6.4
128.06212	1.1
129.06976	3.2
131.08545	14.4
133.10106	25.8
135.08044	2.9
135.11670	27.5
137.09622	4.1
137.13202	8.0
139.11172	9.5
143.08575	3.7
144.09306	1.9
145.10089	14.8
147.04347	7.0
147.11658	16.2
149.09605	1.9
149.12064	1.6
149.13239	24.9
150.13583	1.3
151.11147	3.4
151.14789	1.4
155.08549	1.4
155.10536	2.4
156.53062	1.1
157.10065	5.5
159.11679	15.4
160.12299	1.7
161.13232	14.4
163.11273	1.3
163.14789	6.8
165.11490	1.6
165.12720	8.4
165.16380	1.3
169.10141	2.5
171.11665	4.8
173.11728	13.4
173.13255	8.9
175.14801	13.2
177.12703	3.2
177.16388	5.1
179.14394	2.0
183.11787	2.0
185.13260	3.7
186.14098	1.9
187.14806	18.6
189.16341	11.8
191.14337	1.7
191.17931	15.6
193.15811	3.8
194.05359	1.3
195.13818	5.2
197.13242	2.1
199.14842	4.3
201.16292	7.1
203.17967	5.2
211.14850	1.6
213.16370	3.8
214.17108	1.7
215.17914	4.0
217.19534	4.7
227.17964	3.9
229.19466	17.7
231.21033	20.2
241.19539	3.4
243.20992	1.7
255.21005	2.7
257.22562	6.3
259.24164	3.8
267.21149	1.7
269.22549	2.0
281.22507	1.5
283.16904	1.6
293.22565	1.3
295.24286	1.7
297.25574	2.7
299.27271	1.9
309.26151	1.2
320.51920	1.3
325.29028	2.8
331.26483	1.8
349.28748	1.3
353.28790	1.4
395.36884	5.7
405.34940	4.8
423.27228	27.3
423.36172	33.1
424.27643	5.0
424.36560	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01853	0.7
55.05508	7.1
57.03423	2.8
57.07064	2.2
67.00983	0.8
67.05501	9.8
68.95966	0.7
69.03414	1.5
69.07058	9.3
69.39375	6.4
71.04972	2.0
71.08623	2.0
79.05482	6.8
81.03392	1.3
81.07048	13.6
81.07505	0.6
83.04967	1.1
83.08607	3.4
85.06531	1.2
91.05476	4.0
93.07037	9.0
95.04947	1.8
95.08590	12.5
97.02894	1.8
97.06517	2.4
97.10197	1.1
99.04441	2.6
99.08084	1.5
105.07036	4.3
107.08584	7.0
109.06523	11.2
109.10149	4.4
111.04525	0.9
111.08105	1.0
115.69195	0.7
117.07008	0.9
119.08585	6.4
121.06496	0.8
121.10150	5.6
122.07298	0.8
123.08057	45.0
123.11687	2.6
124.08429	0.8
127.03913	1.9
131.08551	3.0
133.10062	4.6
135.08031	9.1
135.11703	2.8
135.57573	0.7
137.09616	3.1
137.13116	1.0
145.10095	2.7
147.11693	2.2
149.09593	3.6
149.13255	2.5
151.59753	0.8
157.10138	1.2
159.11691	2.4
161.13246	2.2
167.14296	0.9
173.13248	1.2
175.14784	0.9
177.12753	3.6
179.14299	31.1
185.13033	0.9
193.15887	1.1
205.15924	1.2
233.19072	1.2
252.96780	0.8
261.22141	1.3
263.20071	1.2
275.20099	3.4
288.56757	0.8
293.21152	2.5
303.26785	4.2
313.25232	1.0
331.22330	1.8
331.26285	33.9
332.26563	1.7
349.27359	7.9
367.24869	2.4
374.21506	0.9
405.29932	2.9
423.31021	100.0
424.31366	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81815	1.4
55.01868	2.4
55.05513	10.9
57.03432	3.4
57.07058	4.6
59.05012	1.5
67.05136	2.2
67.05499	45.6
69.07062	16.9
71.05003	2.8
71.08623	2.0
71.52382	1.6
74.47397	1.4
79.05492	13.6
81.07050	31.9
83.04990	3.0
83.08614	8.7
84.01428	1.6
85.06556	3.8
91.05473	10.5
93.07038	18.7
95.04959	4.3
95.08597	17.8
97.06517	4.0
97.10175	2.2
99.08104	2.4
102.61494	1.4
105.07034	10.9
107.08582	16.8
107.82048	1.8
109.06516	12.7
109.10145	27.8
111.08087	4.0
117.07037	2.7
119.08578	8.9
121.06544	2.1
121.10142	10.1
123.08070	49.3
123.11718	2.9
125.09655	1.7
129.07031	1.9
131.08606	4.8
133.10130	6.8
135.08073	10.1
135.11679	5.0
137.09653	2.5
143.08607	2.3
145.10147	6.2
147.11696	3.6
149.09651	4.1
149.13235	7.5
150.17226	1.6
151.11295	2.4
157.10089	1.5
159.11717	6.3
161.13261	2.3
165.12825	2.2
173.11754	5.0
175.14827	2.0
177.12790	5.3
179.14294	32.9
187.14960	2.3
195.13684	2.6
201.16597	1.9
247.20345	1.8
247.87953	1.8
263.20203	2.1
275.20187	4.0
293.21082	3.9
303.26981	5.2
331.26276	38.2
349.27301	15.1
367.24951	2.3
405.29755	2.2
423.31213	100.0
424.31494	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	423.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52463	3.3
53.03932	11.5
55.01862	10.4
55.05503	37.2
55.90956	3.4
56.90356	3.7
56.96554	5.3
57.03425	10.4
57.07063	6.4
65.03923	5.8
67.05496	95.6
69.03420	37.3
69.07059	29.0
69.37753	3.4
69.38045	34.1
71.04972	11.7
79.05064	6.6
79.05482	72.0
81.03412	47.0
81.06589	6.6
81.07047	100.0
82.28927	3.3
83.04967	15.2
83.08604	13.7
85.02891	24.2
85.06511	4.7
85.45766	3.5
91.05458	51.9
93.07028	85.7
95.04946	15.5
95.08602	77.1
97.02898	27.1
97.06513	9.1
97.10130	5.1
98.97541	5.7
99.04447	10.0
103.03918	4.6
105.04446	3.3
105.07018	50.4
107.04973	6.5
107.08581	46.3
109.02892	7.2
109.06508	10.4
109.10143	46.5
111.08061	5.2
115.05441	4.5
117.07013	29.6
119.08583	35.3
121.06512	8.2
121.10119	38.5
123.08079	17.3
123.11694	15.2
125.09658	4.0
127.03921	8.2
129.05469	9.0
129.06992	15.1
131.00140	4.0
131.04849	3.5
131.08562	36.7
133.06500	4.2
133.10101	39.0
135.08060	8.0
135.11694	34.1
137.09616	4.6
137.13249	3.9
142.50336	3.7
143.08571	10.3
145.10110	26.7
147.08052	6.4
147.11647	18.7
149.01199	4.3
149.09644	5.9
149.13255	16.9
151.11255	5.5
155.08565	6.7
157.10094	12.9
159.07980	5.6
159.11697	24.4
160.55850	4.2
161.09595	6.1
161.13232	18.2
163.11299	4.3
163.14709	5.6
169.10085	5.3
171.08063	4.0
171.11667	8.9
173.09608	4.6
173.11922	4.2
173.13206	19.5
175.11172	4.9
175.14839	7.3
177.12793	4.3
179.14259	11.6
182.57666	3.7
183.11613	4.7
185.09631	3.4
185.13223	4.8
187.11087	4.6
187.14769	9.5
195.11710	4.7
197.13216	6.5
241.19385	5.7
243.21005	4.4
245.12244	4.3
259.20566	10.5
261.22095	26.4
267.21158	4.0
273.22119	5.5
275.20047	7.8
277.13882	3.7
277.21606	7.5
289.21768	4.8
293.21124	6.1
301.21338	6.4
303.23239	12.3
317.17703	8.3
319.22705	4.5
320.29541	3.8
327.23077	4.4
331.26154	5.7
335.19055	5.0
351.23218	5.9
357.24097	4.0
369.24362	18.1
387.25247	18.4
388.19464	3.8
405.26114	19.3
423.26901	15.3
423.31241	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29854	0.7
55.01845	1.4
55.05505	6.3
56.02996	0.6
57.03416	2.7
57.07064	1.9
67.05494	8.6
69.03403	0.7
69.07053	9.9
71.04988	1.6
71.08615	1.7
71.44147	0.9
71.44487	1.0
73.06557	0.7
75.04482	0.7
79.05487	4.9
81.07046	12.9
83.04971	1.0
83.08615	3.6
85.06535	2.1
91.05467	3.2
93.07032	7.9
95.04918	0.9
95.08591	11.7
95.54751	0.7
97.06519	2.6
97.10168	1.3
99.08083	0.9
105.06990	5.1
107.08578	8.8
109.06499	11.9
109.10131	5.1
111.08041	2.2
119.08562	6.2
121.10104	5.6
123.08048	51.9
123.11663	2.5
124.08389	1.0
129.07025	0.9
131.08536	1.1
133.10104	4.5
135.08023	9.1
135.11676	2.2
137.09579	4.1
137.13248	0.9
145.10101	2.7
147.11665	3.0
149.09604	2.5
149.13223	2.9
151.11192	0.9
152.61676	0.6
157.10106	1.3
159.11678	2.7
161.13260	1.1
163.11095	1.4
165.12827	0.7
167.14314	1.1
173.03935	0.7
173.13197	1.2
177.12773	3.3
179.14275	21.5
187.14832	1.0
193.15964	0.6
205.15948	1.6
233.19008	0.9
233.86668	0.7
247.20525	1.1
257.18787	0.7
263.20029	2.3
275.20108	3.3
277.21866	0.9
281.20987	1.0
289.25244	0.7
293.21106	3.5
303.26740	5.8
313.25391	1.2
331.26270	37.5
332.26718	1.9
349.27307	10.5
361.11359	0.7
367.24878	2.1
371.67505	0.7
405.29996	2.5
423.30981	100.0
424.31256	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
53.25493	2.0
54.27742	2.5
54.36428	2.1
55.01861	9.1
55.05503	33.7
57.03429	12.8
57.07057	3.8
65.03920	4.1
67.05132	4.8
67.05498	98.3
69.03421	31.2
69.07063	28.6
69.59623	16.6
71.01351	3.7
71.04982	10.2
73.02912	7.0
78.77796	2.2
79.05485	79.4
81.03408	40.2
81.07047	100.0
83.04977	11.3
83.08603	11.9
85.02898	22.5
85.06538	5.0
91.05470	65.7
93.07034	96.0
95.04958	16.7
95.08597	69.5
95.09067	1.2
97.02872	10.1
97.06515	11.9
97.10166	7.6
99.04447	7.8
99.08065	3.6
103.03931	4.7
103.05448	3.6
105.04504	2.4
105.07018	57.1
107.04935	7.5
107.08575	49.0
109.02877	5.8
109.06508	10.9
109.10137	35.3
111.04427	10.4
111.08067	5.6
113.09657	2.5
115.05450	3.4
117.07005	25.8
119.08572	51.4
120.81577	2.3
121.06505	8.8
121.10131	39.7
123.08089	10.8
123.11691	12.1
125.09603	3.7
127.03906	9.5
128.06224	5.4
129.05473	9.1
129.06981	17.4
131.08549	39.0
133.06496	5.0
133.10115	35.6
135.08040	5.9
135.11673	29.9
137.09613	5.5
137.13225	2.9
139.11160	4.2
141.06984	4.4
143.08549	16.1
144.09436	3.5
145.04886	2.6
145.06505	7.2
145.10097	30.8
147.08044	7.5
147.11673	28.9
149.09590	5.5
149.13231	18.6
151.11195	2.2
153.07043	2.6
155.08543	7.6
157.10135	10.5
159.08046	5.2
159.11649	28.2
161.09633	3.9
161.13254	14.4
163.11139	4.3
163.14777	5.7
167.08575	2.9
169.10133	5.8
171.08159	2.9
171.11678	12.1
172.42570	2.1
173.09653	2.6
173.11856	4.1
173.13225	17.4
175.11154	4.7
175.14807	9.6
177.12762	3.5
179.14268	6.9
181.10162	4.0
183.11696	6.6
185.09674	3.3
185.13232	11.2
187.11218	4.9
187.14787	7.6
189.12701	5.5
189.16335	2.9
191.14278	3.7
193.12300	2.9
195.11757	2.9
195.13695	2.3
197.13229	2.9
199.14832	9.1
201.12816	3.6
205.98158	2.1
207.11700	2.7
209.13304	3.3
213.12692	4.4
213.16559	2.6
215.14253	2.5
227.14459	2.7
235.13181	2.9
241.19550	4.8
243.21094	7.1
249.14717	3.6
259.20563	19.8
261.22116	31.5
273.22113	6.2
275.23712	2.5
277.21625	7.8
279.23260	3.4
285.22018	5.0
289.21631	5.0
291.23221	4.0
301.21622	4.6
303.23129	16.9
315.19620	2.9
315.23047	4.2
319.22635	3.1
327.23260	4.2
331.22696	3.8
341.24609	6.3
345.24084	3.7
351.23163	5.0
369.24194	24.6
387.25204	14.6
405.26294	24.8
423.26511	15.2
423.32159	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52516	0.7
53.03950	2.0
55.01867	1.3
55.05506	13.5
55.38065	0.7
57.03431	3.6
57.07058	1.9
59.05000	3.1
65.03937	2.1
67.05497	100.0
68.05822	1.3
69.07061	10.1
69.32226	6.8
71.04983	5.9
71.08632	1.2
79.05486	18.6
81.03425	1.0
81.07047	48.3
82.07373	0.8
83.04974	2.3
83.08611	12.1
85.06542	4.4
91.05470	14.7
93.07033	26.2
95.04955	3.8
95.08593	14.4
97.06512	4.9
97.10146	1.2
99.08047	1.8
105.04510	1.4
105.07018	4.7
107.08581	15.8
109.06502	2.6
109.10143	62.2
110.10447	1.4
111.08072	5.4
117.06983	4.8
119.08581	6.5
121.06487	1.0
121.10132	6.9
121.69313	0.6
123.08063	3.6
123.11733	1.4
125.09572	1.6
131.08514	4.7
133.10106	6.4
134.06740	0.6
135.08014	1.2
135.11685	4.7
137.09587	3.0
139.11188	0.8
145.10095	0.9
147.11725	1.1
149.13235	13.4
155.10628	3.5
157.10118	1.1
159.11670	6.0
173.11732	19.9
177.12695	2.0
179.14287	8.1
195.13780	9.2
213.14867	1.0
331.26093	3.1
383.28922	0.8
423.26990	40.4
424.27264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01869	2.3
55.05508	18.0
57.03443	6.3
57.07076	3.6
58.98814	1.1
59.04994	3.7
65.03923	2.8
67.05498	100.0
69.03432	9.6
69.07059	13.8
70.84383	3.1
71.04980	5.5
79.05484	26.9
81.03413	13.8
81.07049	51.4
82.02818	1.2
83.04965	5.1
83.08601	10.7
85.02900	4.0
85.06535	4.2
88.40964	1.2
89.97263	1.2
91.05463	26.1
93.07028	33.0
95.04941	6.4
95.08589	24.2
97.02901	3.9
97.06532	4.4
97.10149	2.8
99.04427	2.1
99.08083	1.9
101.39185	1.3
105.04501	1.6
105.06384	1.6
105.07029	11.5
107.08579	20.1
109.02905	1.9
109.06518	5.7
109.10144	49.4
110.10458	1.7
111.08086	4.9
117.06995	6.7
119.08550	14.6
121.06516	1.5
121.10126	13.9
123.08035	9.1
123.11720	4.2
125.06095	1.6
129.07013	3.0
131.08565	10.1
133.10115	9.7
135.08038	3.6
135.11670	8.5
137.09557	2.9
137.47237	1.4
143.08551	3.4
145.10155	5.9
147.11700	6.1
149.09657	2.6
149.13234	13.0
155.10693	2.3
157.10143	2.9
159.11656	8.4
161.13199	3.3
165.12778	1.5
171.11632	2.1
173.11739	12.8
173.13219	2.7
175.11148	1.6
175.14853	1.8
177.12738	2.3
179.14281	9.7
185.13266	2.9
195.13802	8.0
197.13188	1.5
211.14900	1.8
234.57292	1.8
259.20624	3.4
261.22150	5.8
303.23218	2.5
331.26288	4.9
341.24747	1.3
349.27133	1.4
369.24197	4.7
387.25211	3.3
397.14655	1.4
405.26407	2.0
423.26657	32.8
423.31476	7.9
424.27570	1.4
448.62827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
55.05504	23.6
57.03426	6.4
57.07068	6.0
59.04996	5.5
59.26550	3.7
62.25773	3.3
64.63898	2.9
65.03941	7.2
67.05497	100.0
69.03413	7.6
69.07067	22.3
71.04980	8.7
71.52619	4.7
73.02906	3.5
79.05481	32.6
80.06748	3.0
81.03407	6.0
81.07050	79.6
83.04978	9.8
83.08609	18.6
85.02903	6.2
85.06534	5.1
91.05468	27.4
93.07040	46.7
95.04956	9.7
95.08601	39.1
97.02903	5.9
97.06531	8.2
97.10127	4.3
99.08119	3.5
105.06990	22.5
107.08598	30.6
109.02847	5.4
109.06498	11.1
109.10152	59.1
111.08096	5.1
117.06995	11.1
119.08571	16.9
121.06539	4.0
121.10139	18.6
123.04487	4.2
123.08061	15.2
123.11752	8.6
131.08568	10.6
133.10095	17.1
135.08078	8.4
135.11690	10.3
137.09644	4.7
143.08539	4.6
145.10127	13.2
147.11670	9.8
149.09622	3.8
149.13232	17.0
151.07529	3.9
157.10022	5.8
158.39174	3.5
159.11679	17.8
161.13245	5.2
171.11700	4.5
173.11775	13.7
173.13185	3.9
175.14809	3.6
177.12654	5.1
179.14261	19.0
189.16309	3.7
195.11383	3.3
195.13829	6.2
199.14790	4.7
223.95671	3.1
261.60675	3.4
279.23849	3.5
303.23087	4.7
331.26312	16.6
377.20523	3.5
405.26315	8.4
423.26419	32.5
423.31372	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27253	2.6
53.03945	14.1
55.01859	10.2
55.05503	23.0
57.03426	5.9
57.07063	4.7
57.10397	2.5
59.04996	6.6
65.03924	4.6
67.05493	100.0
69.03423	24.8
69.07058	17.8
71.01344	2.3
71.04984	9.8
71.52789	3.7
73.02887	5.0
79.05482	64.4
79.05921	5.5
81.02988	3.2
81.03414	23.1
81.07044	88.3
83.04951	6.8
83.08624	14.8
85.02908	4.6
85.06553	4.0
88.22235	2.3
91.05465	42.8
93.07030	77.9
95.04950	9.7
95.08596	55.6
97.02882	58.4
97.06501	5.9
97.10159	5.7
99.04443	27.6
99.37082	2.4
101.02370	2.8
105.07024	26.7
107.08570	37.0
109.02863	13.0
109.06499	9.1
109.10142	45.8
111.08031	4.2
117.07018	10.5
119.08561	29.0
121.06487	5.6
121.10112	35.7
123.08061	8.0
123.11694	8.1
125.09575	3.6
127.03893	32.6
129.06946	4.3
131.04906	3.7
131.08560	20.7
133.10123	17.1
135.08098	4.9
135.11647	22.3
145.04921	4.0
145.10118	18.2
147.11691	16.7
149.13269	15.7
150.32634	2.6
155.10539	3.2
157.10114	6.0
159.08018	2.6
159.11708	18.1
160.40079	2.4
161.09410	2.5
161.13219	9.5
163.14830	3.5
171.11693	4.3
173.09514	2.8
173.11722	7.5
173.13272	10.9
175.11113	3.3
177.12759	3.3
179.14284	8.6
185.13222	3.6
187.14833	6.9
199.14940	2.8
243.21036	7.7
259.20486	5.4
261.22122	28.6
273.22083	3.1
331.26569	3.9
357.24301	5.3
369.23898	3.0
379.53464	2.7
423.16766	6.5
423.26733	21.6
423.32361	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
55.05513	1.7
56.01351	1.3
61.01139	8.4
70.06570	4.3
71.04060	2.2
71.04370	1.7
72.04510	13.8
72.08154	9.2
73.02921	1.7
75.49498	1.2
78.03365	1.6
78.03790	22.5
81.03401	3.2
83.04967	2.4
84.04492	3.5
84.08141	1.3
85.02899	9.8
85.06496	1.4
86.06078	2.1
86.09679	3.2
88.02208	8.7
95.04958	2.4
97.06501	1.6
98.20911	1.4
99.04437	6.2
99.05575	4.9
102.03756	31.2
103.02157	2.6
103.03288	2.3
103.03928	17.5
109.02871	5.3
113.06001	1.7
114.03748	4.1
115.02118	1.4
120.04766	5.1
120.08082	6.5
124.07623	1.4
126.05508	23.0
127.03887	6.6
127.05776	1.6
131.06389	14.3
132.04764	14.5
136.07535	4.9
139.03931	1.7
141.06590	2.6
142.08630	7.5
147.05820	2.2
149.07431	66.5
152.07028	1.9
154.08609	4.1
158.02654	1.6
159.05855	4.0
160.90616	1.4
162.30489	1.4
175.05276	3.8
180.06540	14.8
184.09686	3.1
198.07590	4.0
202.08798	1.6
216.08571	2.2
216.68660	1.2
229.05139	1.3
231.11603	4.5
243.06636	3.5
247.10777	1.3
261.07504	5.1
261.12585	5.4
275.10593	3.1
293.11636	100.0
294.11981	5.1
405.16885	37.5
406.17102	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	423.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01858	5.1
55.02090	1.0
55.05506	8.8
57.03435	2.4
57.07060	2.0
65.03923	2.1
67.05499	27.4
68.99781	1.3
69.03426	3.9
69.07066	13.2
70.06569	1.8
71.04988	3.6
71.52618	2.0
79.05486	33.2
80.81927	1.0
81.03407	4.0
81.07049	100.0
82.07370	1.3
83.04973	4.8
83.08607	5.5
85.02895	1.6
85.29682	1.2
87.00816	3.0
89.03899	3.1
91.05473	22.4
93.07033	23.3
95.04933	7.4
95.08598	17.4
96.50833	1.1
97.02857	2.0
97.06534	2.8
97.10157	4.0
99.04457	1.9
105.01858	1.7
105.04490	1.6
105.07014	20.4
107.04946	5.1
107.08583	80.6
108.08902	1.7
109.02875	5.1
109.06519	7.3
109.10149	19.5
111.04430	3.3
111.08041	5.7
115.05486	2.2
117.03379	7.5
117.07008	10.6
118.03707	1.5
119.06023	1.9
119.08572	9.0
119.16291	1.1
121.06505	1.7
121.10143	7.5
123.08029	2.8
123.11723	7.0
125.09617	38.5
127.03926	2.1
129.07028	1.7
131.08594	5.4
133.10103	4.5
135.08044	54.0
135.11668	2.8
137.05977	1.4
137.09602	3.3
137.13258	2.2
139.03958	1.3
143.08536	2.7
145.02818	15.7
145.10100	5.1
146.03188	3.7
147.08041	2.4
147.11626	4.2
149.02275	2.7
149.05939	1.7
149.13220	3.6
151.07503	2.3
151.11168	1.4
153.09088	53.8
157.10129	3.4
159.11740	3.2
161.09608	1.3
161.13225	1.9
163.07507	16.6
165.09119	1.3
165.12718	3.2
167.14313	1.6
169.08621	2.1
171.10161	56.6
171.11574	2.5
173.13309	1.6
177.05457	22.9
177.09114	1.9
178.05777	5.2
181.08582	15.1
185.13312	1.3
187.11154	1.2
193.15846	1.8
199.09657	5.4
203.17960	2.2
231.21252	1.2
255.21025	1.4
267.08643	2.2
273.22113	2.5
291.23193	10.2
301.21625	3.1
319.22705	6.7
405.22464	1.7
423.10947	1.3
423.17200	1.8
423.23334	19.8
424.24078	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	422.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.7
65.03912	0.7
67.05510	1.4
69.03421	1.9
70.06583	1.7
70.43321	1.5
70.43681	1.4
74.06080	8.6
79.05489	2.0
81.03399	2.3
81.07057	2.3
83.04986	1.2
84.04512	2.3
84.08122	1.0
85.02894	3.2
86.09699	100.0
87.10054	0.8
91.05485	2.1
95.04956	1.5
95.08604	1.8
97.02885	2.6
97.06506	1.1
98.06042	2.0
103.05422	1.1
105.07024	2.1
107.08608	1.6
109.02872	1.3
109.06541	1.0
109.10115	0.7
116.07104	1.1
119.08548	3.4
120.08094	17.6
121.10181	0.9
124.53735	0.7
126.05488	6.4
127.03907	1.2
127.70933	0.7
131.08592	1.6
133.10086	1.9
135.04260	0.6
135.11797	0.8
139.03937	0.9
143.08517	1.2
144.06563	1.7
151.03951	1.7
161.06000	0.8
166.08630	4.7
171.13431	0.6
173.13274	1.7
175.14893	0.9
177.05429	1.0
180.10263	0.9
195.11322	3.0
203.14378	0.8
211.14557	1.1
215.14075	1.7
239.13870	9.9
261.11124	0.8
279.17038	8.6
284.06424	0.9
286.07938	1.2
319.18829	0.8
423.20517	1.2
428.98303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01859	8.0
55.05501	5.3
57.06836	0.8
57.07067	10.0
57.62986	0.7
61.12604	0.6
65.22234	0.7
67.05505	3.2
69.07062	11.1
69.43929	4.9
71.08619	7.1
73.99010	0.6
79.05145	0.6
79.05495	6.6
81.07046	35.3
82.07383	0.7
83.04963	1.6
83.08611	7.7
85.10165	4.6
88.26526	0.6
89.06017	0.8
91.05450	1.3
93.07040	2.5
95.08586	6.2
97.06532	1.5
97.10169	6.1
98.21439	1.3
105.07024	2.4
107.08580	3.0
109.06513	13.1
109.10136	3.6
111.04436	3.0
111.08101	1.3
111.11680	4.6
119.08567	3.6
121.10120	2.6
123.08055	1.5
123.11703	1.9
125.05968	20.7
125.13260	2.4
127.03913	0.9
133.10098	3.6
135.08022	2.4
135.11653	1.9
137.05962	100.0
137.13197	1.1
138.06229	0.9
139.07477	1.2
143.08583	0.7
145.10133	1.7
147.11687	2.4
149.09578	2.1
149.13255	1.7
151.07524	1.2
155.07010	4.2
159.11717	1.2
161.09598	2.4
161.13249	5.0
163.11140	0.9
163.14760	1.3
165.09093	1.3
171.11702	1.0
173.13252	0.8
175.11209	2.4
175.14793	1.3
177.12767	3.0
179.14346	1.2
181.12329	0.7
184.07339	0.9
189.12761	2.7
193.12251	3.3
195.13785	1.6
203.14342	0.9
207.13785	2.5
209.15395	0.8
221.15340	1.6
231.17514	0.8
235.16986	0.9
245.19029	1.0
249.18394	0.8
251.20137	0.8
263.20047	1.2
277.21552	0.9
282.56937	0.7
319.26065	0.7
333.27615	0.9
347.25739	1.4
347.29422	0.9
379.35165	0.7
385.34747	2.1
403.35556	1.9
421.29456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13214	2.5
53.17062	2.2
55.01860	6.8
55.05504	24.6
57.03427	16.1
57.07059	12.8
60.64714	2.6
65.03928	3.2
67.05495	45.9
69.03421	6.7
69.07055	39.9
71.04971	5.0
79.05490	35.2
81.03383	4.5
81.07042	46.7
82.05080	2.9
83.04958	7.1
83.08591	10.9
85.06540	14.6
85.06968	2.7
91.05457	28.4
93.06488	3.6
93.07042	51.0
95.04955	42.2
95.08595	47.8
97.06508	12.5
97.10149	8.1
98.20805	7.1
105.07011	24.6
107.04961	11.2
107.08575	38.4
109.06495	30.4
109.10163	14.7
111.04396	7.9
111.08074	7.7
115.05380	3.8
117.07005	10.8
119.08569	22.8
121.06496	17.7
121.10113	14.8
123.08049	21.4
123.11726	3.9
125.05958	5.0
125.09629	8.9
129.06998	7.9
131.08568	12.1
133.06467	4.8
133.10121	13.8
135.08040	25.2
135.11678	19.0
137.05957	25.6
137.09575	6.0
143.08551	9.1
145.06430	3.3
145.10118	11.1
147.08037	4.5
147.11661	5.5
149.09608	10.2
149.13251	5.2
151.07535	7.6
153.12727	6.4
155.08476	3.1
157.10114	8.3
158.10818	3.0
159.08049	3.5
159.11722	5.1
161.09593	6.9
161.13240	7.6
163.11145	6.3
165.12717	5.2
167.08521	3.0
167.14297	3.2
169.10226	3.4
171.11702	5.0
173.13181	4.5
175.11121	4.8
177.12727	11.5
179.14307	7.1
181.12263	8.2
187.11115	3.8
193.12231	3.5
199.11237	3.8
203.10611	5.4
221.19069	6.6
231.13754	4.2
263.19962	3.6
301.21640	3.1
305.24707	88.2
311.20023	6.8
319.26254	32.6
329.21109	46.7
329.24643	5.7
337.27417	3.7
347.22113	5.6
347.25778	100.0
365.26743	9.0
393.29941	5.8
403.24487	15.8
421.25516	20.2
421.29590	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.6
55.01862	0.5
56.96557	4.1
57.03425	1.1
61.02903	0.9
69.03424	3.2
70.06566	0.8
71.51529	0.5
71.60524	0.4
73.02893	0.8
74.00636	1.0
77.10259	0.5
80.61450	0.5
81.03408	1.7
84.04476	0.8
84.08131	1.5
85.02895	7.4
86.09687	0.5
97.02869	3.1
98.97556	2.9
99.04408	0.5
100.02168	1.9
101.02539	0.8
103.37679	0.5
109.02891	0.7
110.07205	0.6
110.80892	0.4
110.97540	0.7
115.02133	2.1
116.98600	2.6
119.01865	0.7
120.01152	0.6
127.03867	1.1
128.98579	1.3
129.10297	0.5
132.20343	0.5
134.99660	1.2
137.06027	0.7
139.03894	1.4
143.01610	19.6
145.04930	1.2
146.02695	3.8
146.99663	0.9
147.03026	1.1
158.99709	0.6
161.01175	0.8
161.02917	0.7
163.03854	1.4
171.01093	100.0
172.01445	2.1
173.01163	0.5
174.04330	0.6
177.00746	0.9
181.05055	0.7
219.01825	0.6
237.02814	1.2
259.07407	0.6
260.05814	13.0
261.02603	0.6
261.06500	0.6
261.14670	0.6
339.15350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2944
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.05506	9.4
57.07063	4.1
65.03946	1.0
67.05497	17.1
69.07062	15.2
71.04974	2.6
71.52864	1.3
76.46062	1.0
79.05484	3.2
79.44424	1.0
81.07052	24.8
83.08614	15.4
85.06523	1.6
90.90345	1.0
91.05467	9.7
93.07027	2.0
95.04935	1.7
95.08596	23.9
97.06548	0.9
97.10161	9.1
105.06973	1.4
107.08587	1.5
109.10158	14.5
111.11713	4.2
117.07014	1.2
119.04922	22.2
119.08583	1.5
121.06500	1.4
121.10146	1.8
123.04447	1.0
123.08092	1.0
123.11678	7.0
125.13242	2.4
133.06514	1.1
133.10147	1.9
135.08034	1.2
137.13231	2.6
143.08569	1.1
147.04399	100.0
148.04730	2.1
151.14836	1.6
165.05449	13.6
165.16357	1.3
191.06886	1.1
195.43542	1.0
239.23717	2.7
257.24738	4.0
289.50790	1.0
329.21155	2.3
407.97214	1.0
421.30603	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09281	0.9
53.03932	3.2
54.13560	1.0
55.01868	6.8
55.05501	18.6
57.03431	13.0
57.07073	10.2
60.69141	1.1
65.03914	1.5
65.04662	1.0
67.05498	28.8
69.03418	2.5
69.07062	34.5
69.46868	9.2
71.04971	4.4
71.08627	2.9
79.05485	23.4
80.78543	1.0
81.03398	1.3
81.07046	39.5
83.04960	7.0
83.08599	10.7
85.06540	11.2
91.05473	14.3
93.07027	37.4
95.04941	7.0
95.08591	33.8
97.06519	15.9
97.10175	1.4
99.08075	2.6
104.34947	1.0
105.07020	13.4
107.04942	2.8
107.07871	2.1
107.08575	31.6
109.06501	26.1
109.10148	11.9
111.04418	7.0
111.08065	5.9
111.74467	1.0
117.07018	2.9
117.10790	0.9
119.08565	14.3
121.06487	3.6
121.10117	11.6
122.07274	1.5
123.08053	17.3
123.11687	4.2
125.05979	8.8
128.06131	1.1
129.07033	1.3
131.08563	4.6
133.06483	2.3
133.10121	7.9
135.08037	47.1
135.11671	18.6
137.05956	21.5
137.09605	4.0
137.13277	2.0
139.07510	2.5
142.07774	1.2
143.08542	2.1
145.10075	6.9
147.08035	2.7
147.11684	6.8
149.09569	6.1
149.13228	4.2
151.07555	9.9
151.11191	2.0
153.12714	5.7
157.10106	2.9
159.11662	3.4
161.09575	7.9
161.13255	3.0
163.11192	5.2
163.14767	1.4
165.09105	1.8
165.12706	6.1
167.14323	3.2
171.11681	1.5
173.13200	2.0
175.11182	4.0
175.14873	2.3
177.12697	16.8
179.14342	7.4
181.12209	9.5
187.14828	1.9
189.12740	2.4
191.14252	1.8
193.12177	2.5
195.13663	1.3
203.14352	2.2
205.15906	2.3
217.14328	2.8
217.16127	1.6
219.17482	1.4
221.19040	5.0
233.19087	1.3
235.20540	7.0
249.18442	2.4
263.20056	5.3
287.23587	2.7
303.19427	1.3
303.26846	2.3
305.21356	2.7
305.24689	82.1
306.25107	3.5
319.26254	29.1
319.29794	2.1
329.21033	3.5
329.24753	12.0
337.27289	2.4
347.25778	100.0
348.26187	4.6
365.26828	8.3
393.29990	8.0
403.23956	1.8
403.28519	4.7
421.29465	66.5
422.29962	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	421.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02941	0.3
53.42746	0.3
53.71849	0.3
69.03400	0.7
69.60181	0.6
69.60595	1.4
70.06561	1.4
71.04951	0.4
72.08125	0.8
81.03405	0.4
81.07042	0.6
84.04455	0.4
84.08120	0.6
85.02878	0.4
86.09685	0.8
88.03967	0.7
91.05446	0.8
93.07040	0.4
107.04897	0.5
119.04893	0.4
120.08109	0.8
123.04408	1.3
127.03853	0.4
127.49598	0.3
130.06482	0.5
135.09132	0.9
136.17648	0.3
139.03874	0.6
144.10143	0.4
145.07561	0.4
147.04355	0.4
159.07947	0.3
159.09143	0.4
161.07098	0.7
163.03929	0.7
170.07150	0.3
171.07886	2.1
172.05026	2.6
172.08685	5.3
173.09399	1.4
174.10207	0.4
175.08696	0.7
186.06676	0.5
186.10210	1.3
187.07391	12.3
188.08195	1.8
198.06664	0.6
199.07381	5.7
200.08218	1.7
201.09122	0.4
214.09688	0.6
216.07639	5.0
216.10043	4.3
221.00500	0.3
229.07147	0.7
231.06551	0.5
237.12402	0.4
243.08748	49.7
244.09518	100.0
245.09930	4.7
257.10345	2.3
259.11584	0.3
262.78275	0.3
270.33292	0.3
274.04684	0.6
291.13181	0.4
292.13831	0.4
299.05597	0.4
336.15775	0.4
361.14328	0.7
362.13422	1.7
375.23605	0.5
377.14517	1.2
378.15298	40.0
379.16049	43.3
380.16406	2.2
385.16183	0.6
393.24753	0.4
394.23196	0.5
403.08078	0.5
421.09131	1.4
421.17133	8.2
421.23999	1.3
422.17416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
57.03425	2.0
57.44119	0.4
70.06592	0.8
70.12038	2.1
72.08150	0.5
73.02905	0.8
75.04468	1.5
81.03393	0.5
84.04508	0.5
84.08116	0.6
85.02901	3.7
86.09705	0.5
87.00853	0.5
95.01321	2.1
95.04967	0.5
97.02840	1.0
103.03952	0.5
105.01841	0.7
107.04947	100.0
108.05267	1.1
111.04430	0.5
113.02364	0.8
118.80975	0.5
122.03603	0.5
123.04414	0.7
127.03892	1.0
137.05969	11.2
139.03897	1.6
140.04199	0.6
141.01781	3.6
145.04942	0.6
153.05432	4.9
159.02844	0.8
171.06491	0.8
172.06801	1.1
182.74525	0.5
209.08076	38.5
210.08366	0.5
227.09125	12.4
227.11368	0.7
245.90047	0.5
261.68207	0.5
269.04492	0.7
271.13867	0.5
299.05371	0.6
385.11237	1.8
396.42447	0.5
421.09027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13652	0.2
60.04525	0.2
60.20790	0.2
62.30243	0.2
65.03918	0.3
66.04707	0.4
67.36258	0.2
69.03414	0.3
70.06571	0.5
70.89045	0.2
70.89392	0.4
72.08136	0.2
79.05469	0.5
81.03421	0.5
81.07045	0.3
84.04478	0.3
84.08124	1.0
85.02908	1.0
86.09696	0.7
87.00829	0.4
91.05460	0.7
94.04179	2.5
97.02872	0.4
105.01807	0.9
107.04934	0.5
109.02861	0.3
109.06471	0.2
120.08109	0.2
122.03634	7.7
123.04397	0.3
126.59337	0.2
127.03928	1.3
129.10245	0.3
137.05960	100.0
138.06314	1.8
139.03886	0.4
145.04953	0.6
151.03804	0.2
155.46680	0.2
161.34268	0.2
163.03783	0.2
172.03737	0.4
204.08604	0.2
221.86197	0.2
231.04884	0.9
245.06325	0.8
248.07506	0.3
249.05949	0.4
252.05824	0.3
284.09769	0.8
320.12491	0.2
334.09195	0.4
376.10034	1.4
420.08917	5.6
421.09033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.8
55.01862	10.8
55.05491	2.5
57.03421	6.8
60.04513	1.9
61.02904	7.0
62.08147	1.6
63.98120	1.7
65.03925	11.1
68.99780	10.4
69.03419	22.7
70.06573	4.5
71.04967	4.8
71.16378	4.7
72.08160	11.8
73.02888	7.2
74.06048	3.0
79.05472	5.5
81.03410	26.7
83.04958	7.0
84.04485	2.4
84.08116	2.5
85.02897	60.8
86.09679	9.0
87.00815	23.0
91.03949	2.5
91.05447	2.4
93.03387	4.5
95.01295	2.2
97.02883	27.8
99.04440	13.6
103.03936	3.1
105.01839	17.2
107.04940	100.0
109.02866	20.8
111.04432	46.7
117.01825	2.3
121.03991	2.9
123.04385	4.6
125.06006	2.9
127.03890	33.4
129.01784	6.3
131.04866	2.0
135.04402	7.5
137.05942	9.4
139.03883	99.8
141.01849	3.5
144.79706	2.0
145.04938	15.0
147.02855	2.2
147.04375	2.3
149.02357	2.9
151.03896	3.8
153.05443	6.2
155.03406	2.4
159.02861	15.6
163.03865	22.0
171.06497	89.2
177.05341	2.3
181.04974	11.4
189.03801	2.5
195.06534	20.9
201.05394	2.4
205.05002	2.7
207.06516	5.4
209.08040	26.4
213.07579	14.6
222.05217	2.2
227.09128	9.0
231.04935	4.8
233.08057	3.8
235.05814	2.4
237.07463	12.5
261.07550	9.4
279.08670	13.3
375.98529	1.9
419.07574	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.6
55.01856	11.7
55.05505	4.7
57.03422	9.4
57.07071	20.3
59.04989	12.7
59.89202	2.5
61.02920	6.4
63.95068	2.6
67.05498	15.3
68.46772	2.9
68.99783	4.8
69.03424	39.9
69.07062	16.2
70.06577	4.6
70.49807	9.8
71.04986	8.7
72.08141	4.4
73.02892	11.3
79.05448	4.6
80.05035	2.8
81.03418	48.2
81.07048	8.8
83.08621	4.8
84.08128	3.4
85.02896	86.4
85.06525	10.7
86.09689	6.0
86.11632	2.6
87.00826	30.1
91.03889	2.6
91.05476	5.9
93.07043	8.0
95.04974	4.6
95.08601	70.9
97.02892	30.6
97.06523	6.1
99.04436	19.6
99.08076	17.3
105.01859	26.0
105.06990	4.4
107.04935	23.5
107.08572	9.6
109.02863	47.5
109.06501	8.5
109.10157	18.3
111.04405	3.0
111.08060	12.2
111.11716	3.0
113.09628	65.3
115.03878	3.1
117.01853	5.7
119.03381	3.5
119.04966	2.5
121.02826	3.4
121.06507	5.3
121.10219	2.8
123.04382	5.4
127.03916	59.8
127.11185	8.5
129.01801	7.3
135.11659	18.9
137.02312	10.7
137.13217	7.7
139.03893	5.1
145.04939	27.3
147.02843	6.1
149.06004	7.4
151.03905	4.6
153.11517	5.9
153.12733	100.0
154.13016	3.1
155.14285	28.8
156.05637	3.2
159.02864	26.1
163.03937	3.4
167.07076	3.5
171.13745	18.6
176.60802	2.7
177.05489	4.2
177.12794	4.3
181.05019	2.7
184.83066	3.1
209.08078	5.9
213.14830	3.6
231.04868	13.8
257.07986	2.6
267.10132	3.1
272.06891	3.9
277.32062	3.2
287.05417	7.9
299.05405	19.9
300.06219	11.2
301.06989	2.9
311.05524	5.7
313.07040	11.4
329.06601	27.8
341.06467	3.2
353.06491	7.8
359.07605	4.6
383.07474	19.3
383.15176	4.8
387.14203	12.2
391.17416	7.4
401.08444	16.1
419.09921	26.1
419.18024	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05800	1.0
55.05498	1.9
67.05494	9.6
69.07046	2.7
69.32748	10.1
69.33157	2.1
69.74334	1.2
79.05486	4.6
81.07047	19.0
83.08598	2.1
89.03889	6.7
91.05468	2.5
93.07045	4.8
95.08600	13.4
107.04946	2.8
107.08570	3.2
109.10162	3.9
117.03394	5.8
118.53210	1.2
119.08573	8.5
120.08910	3.8
121.09345	1.3
121.10133	4.3
123.04443	1.3
123.11697	5.3
135.04387	16.7
135.11699	3.9
137.13214	3.6
138.97995	1.3
145.02835	12.5
149.13243	1.3
163.03882	100.0
181.04883	6.6
273.17902	1.4
288.45108	1.3
410.75092	1.4
429.92535	1.5
432.25253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14044	1.0
55.05513	5.0
57.07067	7.7
60.31741	1.0
61.96012	0.8
65.03938	1.2
67.05495	9.7
69.03406	4.0
69.07053	3.4
70.83314	2.0
70.83649	1.5
71.08617	4.3
79.05482	7.8
81.07048	17.5
83.08600	1.3
85.10192	1.3
91.05460	7.6
93.07039	10.5
95.04932	1.4
95.08595	17.5
97.06508	1.9
97.10139	1.2
97.51682	0.8
105.07013	16.5
107.08578	26.3
109.06512	8.5
109.10152	8.3
111.08072	6.8
115.05400	1.7
117.07010	1.8
119.08569	14.6
121.06484	8.9
121.10110	6.1
123.08064	7.2
128.06218	4.3
129.06976	4.6
130.04428	0.9
131.08551	4.7
131.36655	0.9
133.06471	1.2
133.10115	18.8
135.08041	15.6
137.09641	3.0
142.07790	4.3
143.08553	22.0
144.09193	1.1
145.06468	2.6
145.10074	4.8
146.07253	2.3
147.08032	15.9
147.11670	7.2
148.08807	3.8
149.09605	7.7
157.10104	7.2
159.08022	1.1
159.11687	3.9
160.08821	8.8
161.09598	47.7
161.13260	1.9
162.10390	8.8
163.10910	1.1
171.11687	7.3
173.09659	1.5
173.13219	1.8
174.10393	1.9
175.11165	11.7
175.14809	3.6
184.12488	1.2
189.12726	29.4
189.16360	3.6
199.14786	3.3
217.15854	68.5
218.16183	3.7
233.20622	1.0
235.16760	0.9
388.93393	1.0
417.33585	100.0
418.33881	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	417.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07338	2.1
50.85670	2.1
55.01871	2.7
57.03422	4.2
61.02921	5.0
67.01855	4.3
67.05507	2.7
68.99776	12.7
69.03413	2.9
69.07048	8.4
70.06204	4.8
70.06585	73.8
70.32779	2.2
71.06931	2.1
71.51995	2.1
72.08147	20.1
73.02898	2.3
74.02427	3.0
79.05487	3.7
80.79783	2.2
81.03409	8.9
81.07070	2.7
83.04955	2.7
84.04479	2.1
84.08115	2.3
85.02894	28.3
86.09700	72.6
87.00827	8.7
87.05582	5.2
88.03995	3.2
91.05478	4.3
95.04953	7.3
103.03917	6.4
103.74301	2.0
105.03384	7.9
107.04910	2.4
109.02866	8.2
119.04938	8.4
119.08594	3.0
121.02835	4.4
123.04398	18.8
125.07063	2.4
127.03875	6.3
128.06226	2.3
129.01819	6.7
129.06940	4.4
129.10233	2.7
131.11810	3.4
133.06059	19.1
135.04398	2.3
137.05959	3.4
139.03891	6.3
143.04965	2.6
143.11816	5.1
147.02888	4.3
147.04375	17.3
147.11668	2.3
148.05951	2.9
151.03877	35.5
151.93887	2.3
153.01869	3.5
157.06491	4.1
161.05927	5.9
163.03873	10.0
163.11810	1.9
165.05458	16.2
165.06749	3.0
167.07043	3.0
167.96475	2.2
169.04961	8.6
171.02902	2.2
171.04391	4.0
171.11346	2.2
173.09154	2.2
175.03880	14.7
181.04929	16.9
185.05962	2.9
185.16386	2.7
187.03926	4.1
189.03978	3.1
189.05455	13.6
193.04945	100.0
193.12192	4.9
201.12361	2.5
203.06993	5.1
203.13811	2.9
205.05026	7.6
207.06566	15.3
210.02057	3.2
211.06001	73.9
213.05411	7.8
213.15984	4.2
217.04900	12.7
219.06529	2.3
223.07632	2.2
229.15466	22.3
230.15848	2.6
231.06448	21.6
235.05959	67.0
236.06203	2.4
241.05084	5.2
243.08791	3.3
249.07436	2.5
259.06009	43.0
267.16003	3.0
277.07010	47.7
278.07260	3.0
295.08499	3.6
319.09863	2.3
363.07025	4.7
368.10602	2.1
384.39520	2.7
417.09457	3.4
437.13666	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.6
57.07071	0.4
58.06593	100.0
59.06929	0.9
67.05502	1.0
69.07074	1.8
70.06590	0.5
71.52677	0.6
79.05489	0.8
81.03413	0.7
81.07070	1.5
83.08615	0.6
84.08141	0.6
85.02927	0.5
85.06544	0.8
86.09698	8.7
91.05467	10.1
93.07050	1.1
95.04981	0.4
95.08633	1.0
97.06516	1.1
97.22539	0.4
98.09737	0.6
105.07026	0.9
107.04964	1.0
107.08584	1.0
108.08256	0.4
109.06557	0.5
109.10192	0.5
113.07127	1.2
114.09163	1.5
115.05482	1.5
115.08701	2.3
117.05769	1.0
119.08592	0.6
119.42821	0.5
121.10147	0.6
126.07903	0.6
129.07034	1.6
130.06540	2.0
131.07379	0.5
131.08598	0.6
132.08080	20.9
133.08449	0.8
135.11707	0.5
142.08669	0.6
144.08112	1.1
145.10139	0.7
146.09663	3.5
147.04451	0.6
158.09679	0.5
159.11629	0.5
160.07617	1.8
167.07104	0.7
169.13298	0.6
171.09200	0.9
171.14905	14.2
171.16322	0.7
173.10820	0.5
181.05003	1.1
181.13483	0.8
188.07094	2.8
188.11916	1.1
189.10217	11.4
199.14409	9.2
200.11963	1.6
201.10191	0.6
210.16086	1.4
217.09735	6.8
228.11351	0.7
238.15466	5.4
239.15462	1.5
256.18060	15.3
257.18546	0.7
284.17801	1.4
293.59888	0.6
301.15515	1.4
302.14963	7.8
302.18280	0.5
312.17032	23.9
313.17490	1.0
327.17203	1.6
330.18069	8.0
346.16675	0.5
358.21182	7.4
359.21686	0.7
364.23050	0.5
383.11273	1.0
415.14221	1.0
415.23413	12.5
415.28586	0.9
416.23456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3562
Annotation	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05500	4.6
57.07062	5.3
59.38531	3.3
67.05520	3.4
69.07063	8.4
71.53658	5.7
71.54008	3.5
81.07046	16.5
83.08590	4.8
91.05453	3.9
93.07037	7.1
95.08579	12.4
97.10160	4.3
97.16338	3.1
105.07007	4.9
107.08585	6.1
109.10156	5.9
119.08563	6.6
121.06547	3.3
124.86488	3.1
131.08533	4.7
133.10107	3.2
145.10046	4.2
147.11632	4.7
159.11678	6.2
175.11217	8.1
202.31345	3.2
230.34734	4.8
379.33398	5.7
397.34625	11.7
415.35703	100.0
416.36023	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	415.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02640	1.3
50.11347	1.1
51.02411	1.2
53.03920	1.8
55.01870	6.6
55.05500	3.1
57.03415	1.8
57.68590	1.3
58.06577	2.2
65.03936	7.2
67.05495	6.8
68.99785	4.6
69.03418	2.9
69.07055	4.3
70.44311	5.4
75.62490	1.5
79.05470	5.9
81.03409	6.6
81.07041	4.7
83.01318	5.2
83.04977	9.5
85.02897	27.5
87.89244	1.3
91.05442	3.7
93.02831	2.0
93.03400	32.4
93.07035	3.9
95.04958	6.5
95.08559	3.4
97.02879	6.1
99.27436	1.2
105.03389	3.8
105.07008	4.7
107.04943	8.6
107.08545	1.5
108.39146	1.2
109.02890	7.4
109.10163	1.6
111.00782	3.4
111.04428	26.2
117.07011	1.8
119.04838	1.3
119.08544	1.7
121.02848	6.1
121.10133	2.3
123.04414	48.8
127.03879	1.9
133.02809	3.6
133.10089	3.3
135.04407	14.3
137.02322	16.0
139.03906	24.4
141.01823	1.7
145.06418	2.2
147.04401	3.9
149.02299	2.5
151.03889	9.8
153.01804	3.2
155.08524	1.8
160.07317	1.4
161.02316	4.6
161.05977	3.9
163.03848	11.4
165.01884	9.3
165.06944	1.4
167.03419	3.6
167.07054	7.8
169.06476	1.4
173.05928	1.8
175.03940	6.6
177.01804	3.5
179.03407	7.6
181.04951	39.3
181.06520	2.9
183.02829	2.4
183.07913	1.4
189.05399	1.7
191.03343	5.9
193.04895	2.3
193.06470	2.3
195.02879	6.1
201.05388	4.1
203.03323	8.7
205.01289	3.8
207.02863	73.3
208.03339	2.6
209.04364	1.6
211.07460	3.5
213.05403	1.8
217.40826	1.3
221.04366	15.6
221.06096	1.6
223.02397	9.4
225.03922	90.3
226.04338	1.7
229.04971	2.7
231.02715	1.6
233.08035	3.1
237.03896	14.0
239.07048	3.8
241.04976	2.9
249.03757	3.6
257.04337	2.2
261.07611	3.5
263.09125	92.5
264.09515	4.0
267.06500	9.1
269.04410	5.3
277.04831	2.3
279.08646	5.0
282.57620	1.7
283.05960	2.4
284.06497	3.1
285.07373	7.4
287.05563	1.9
295.06052	15.3
296.06253	1.7
305.04596	1.5
305.10156	5.7
311.05719	2.5
312.06085	3.1
313.07047	36.5
323.05441	13.9
331.07907	2.0
341.06525	34.3
341.13370	2.0
359.07578	100.0
360.07968	4.0
369.13358	14.1
385.12955	1.7
387.14380	3.1
397.12759	12.2
415.13956	23.6
438.90817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01868	0.4
55.05503	0.3
65.03931	0.3
67.05466	0.5
68.99761	0.4
69.03422	0.8
69.07028	0.4
71.52805	0.4
72.77055	0.3
72.83897	0.2
79.01841	0.4
79.05482	0.7
81.03400	0.6
81.07039	0.6
83.04957	0.3
85.02893	1.5
86.09713	0.4
93.03372	0.4
93.07039	0.7
95.04949	0.6
95.08601	0.4
97.02808	0.4
97.06560	0.3
98.41210	0.3
99.04490	0.3
105.01858	0.5
105.07024	0.8
107.04877	0.4
107.08570	0.3
109.02902	0.5
109.06559	0.3
109.10156	0.4
111.04452	0.6
113.02351	0.5
119.08612	0.5
122.41250	0.3
123.04430	0.5
123.08060	0.3
125.05936	0.3
127.03912	0.8
131.08536	0.3
133.10101	1.0
135.04402	0.3
139.03906	0.5
145.06349	0.4
147.04407	0.3
147.11620	0.3
151.03876	1.0
167.07034	0.6
172.16237	0.3
172.62750	0.3
175.03891	0.4
179.03375	100.0
180.03711	2.7
181.04941	1.1
191.07011	0.3
197.04437	61.8
198.04770	1.8
225.03941	0.3
225.19403	0.3
233.08034	0.3
235.09631	3.1
253.10693	15.1
254.11063	0.6
343.08066	0.7
355.11987	0.4
397.12912	0.7
415.14917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3571
Annotation	CHEBI:83244
Peak:m/z	Relative Intensity
54.03457	1.5
55.05503	13.1
56.05017	1.0
57.03432	5.0
57.07069	6.4
58.02950	2.3
59.04974	3.0
60.04510	3.1
67.05510	4.6
68.05026	4.6
69.07058	10.0
71.08614	3.1
72.04510	24.2
76.04001	4.4
79.05491	5.3
80.05012	1.0
81.07048	6.7
82.06587	5.7
83.04990	1.5
83.08613	8.0
85.10166	1.0
87.04469	1.1
89.61615	0.9
91.05427	1.4
93.07027	1.7
95.08587	4.2
96.08109	3.3
97.06511	1.5
97.08896	9.4
97.10167	3.0
98.21513	2.6
105.06996	0.9
107.08585	1.5
108.83239	0.8
109.10162	2.1
114.09156	55.5
119.08523	1.6
121.10104	1.5
123.11684	1.1
158.11731	2.4
160.01646	1.0
184.44427	0.9
280.26379	0.9
304.30804	1.1
384.55499	1.0
396.34732	13.3
414.35727	100.0
415.28082	1.4
415.36090	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	414.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.3
62.13952	0.4
62.36356	0.5
69.81088	2.9
71.22861	0.5
71.95261	1.6
81.44581	0.4
85.27825	0.4
87.31116	0.6
87.55870	0.6
98.20809	0.5
98.97569	67.5
99.97901	0.6
102.87528	0.5
116.98606	54.8
117.98923	0.8
130.93291	1.1
134.99640	25.1
140.00177	1.4
140.93523	0.6
145.75209	0.5
153.00714	3.2
158.01276	1.3
172.94360	3.4
190.95377	5.1
192.98738	0.7
208.96523	2.4
214.95436	2.8
230.93340	0.6
232.96451	8.7
234.99811	1.0
248.94333	0.8
250.97551	6.1
256.96402	14.5
258.99899	1.1
261.03036	0.6
272.94357	0.9
274.97473	100.0
275.97894	1.4
277.00845	1.2
287.70447	0.5
290.95459	2.4
292.98523	75.0
293.98825	1.5
297.99088	3.3
298.97839	2.0
310.99878	0.9
314.95477	2.3
316.00089	2.7
316.98749	3.8
332.96426	5.4
343.42700	0.5
372.95789	1.7
390.96960	3.3
414.95267	2.9
432.96338	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	415.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	20.5
68.96516	0.8
69.08347	0.7
70.06570	1.7
70.35899	0.8
71.43417	1.7
71.95242	1.2
84.08123	1.1
84.96022	8.5
85.02901	1.3
97.02885	1.7
98.97573	93.9
102.97041	1.5
107.04909	0.8
110.97565	14.2
112.99108	2.1
116.98608	57.8
126.97041	0.9
127.03922	0.9
128.98584	20.9
130.77040	0.7
131.00150	4.1
134.98651	1.2
134.99649	17.6
136.06229	1.1
137.05876	0.9
140.00157	2.3
140.35989	0.7
140.98601	1.4
143.00154	3.4
144.98045	1.8
145.69930	0.8
146.99644	12.1
149.01178	1.8
152.05641	3.4
152.98627	1.5
153.00705	1.9
158.01202	0.9
158.60628	0.8
158.99637	18.6
161.01259	4.5
161.02394	0.7
162.99127	2.3
163.03900	0.7
165.00708	1.7
170.01108	0.8
170.99619	4.4
177.00677	24.8
179.02203	1.6
181.98741	1.1
189.00677	5.1
193.01714	10.7
195.01770	2.7
199.99879	1.1
200.02286	0.9
201.00681	3.0
209.01187	1.1
211.02786	15.4
219.01732	22.9
227.02269	3.4
229.00128	0.8
229.03877	1.6
235.02739	14.9
237.02791	48.2
238.03157	1.1
239.02235	2.2
251.04460	1.4
253.03821	10.8
253.08202	2.0
255.03902	4.4
258.39389	0.7
260.04340	2.3
271.04813	1.9
277.03723	1.4
281.03564	0.8
289.03659	1.2
295.05002	3.1
313.05862	1.4
337.06207	1.8
355.03110	1.4
355.06949	31.4
356.07401	1.4
373.08035	100.0
374.08490	4.3
396.09521	5.1
415.09116	32.2
416.09595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66151	1.1
51.91392	1.0
53.03944	1.8
55.01859	4.0
57.03426	4.8
57.39145	1.0
59.04994	61.7
61.02909	2.0
67.05479	2.0
68.99792	2.9
69.03426	11.0
69.55634	8.1
70.06584	10.0
71.04992	1.6
71.06902	1.6
72.08142	4.6
73.02931	2.0
73.06549	100.0
79.05485	3.0
81.03405	8.5
81.07047	2.0
84.08125	3.1
85.02901	27.7
86.09702	5.6
87.00817	9.2
91.05412	1.9
93.07034	1.6
95.04955	2.2
97.02898	12.8
98.40157	1.2
99.04463	4.9
99.08056	1.6
105.01859	9.0
105.07033	1.3
106.14237	1.2
107.04945	1.9
109.02866	8.1
110.07131	1.9
114.05520	2.0
117.09126	17.8
119.04914	1.8
121.02847	12.0
123.04440	2.0
127.03909	12.4
129.10220	2.1
131.10680	12.6
135.04349	2.7
136.07562	1.7
137.02330	1.9
139.03857	2.3
145.04927	5.4
147.02869	1.0
147.04419	3.1
149.05939	1.3
149.11717	91.9
150.12117	1.8
153.01846	1.4
159.02884	3.1
161.02263	1.2
163.03842	7.8
164.82674	1.0
165.01820	11.3
167.03317	1.2
177.01939	1.2
177.05482	1.7
181.04968	2.0
183.02852	10.1
187.03888	1.2
189.01761	3.8
191.03395	4.4
193.04890	2.4
203.03415	3.0
205.04971	1.9
207.02898	2.3
209.04257	1.5
215.03331	2.1
217.05296	1.5
219.02934	2.1
225.62563	1.1
231.02870	16.6
231.04933	2.3
233.04440	1.5
243.02994	1.9
249.03958	8.7
261.03922	6.4
279.05011	3.3
301.07053	11.7
355.08240	2.4
367.08054	12.2
397.09277	2.8
410.70432	1.3
415.11676	2.8
432.60733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.7
56.05022	7.8
57.03419	3.7
57.07066	26.5
58.02955	55.2
60.04227	4.7
60.04519	78.1
61.84468	2.0
67.05486	28.0
68.05016	5.6
69.07060	26.4
70.06593	4.6
71.08620	17.8
72.04510	36.0
73.02924	2.6
74.11793	2.9
76.03999	68.1
79.05490	13.4
79.55936	2.6
80.05000	2.7
81.07045	42.8
82.06575	7.5
83.08617	26.4
85.10191	3.5
86.06039	2.0
88.04002	2.9
90.05541	8.5
91.05526	3.1
91.27403	2.0
93.07030	10.1
93.91932	1.9
94.06538	5.2
95.08598	31.9
96.08121	4.5
97.06545	4.1
97.10167	8.0
98.06036	10.0
98.20737	5.3
101.44092	2.3
101.47011	2.2
107.08589	6.2
109.10166	10.7
112.07597	5.3
114.09157	30.2
119.08579	3.6
121.10159	4.3
123.11676	4.4
135.11681	3.3
140.10680	5.2
140.94189	2.2
158.11790	6.8
182.24638	2.6
184.07346	3.1
232.07553	2.2
234.93134	2.6
239.23351	2.2
250.25441	3.7
265.25272	3.0
280.26376	9.5
298.27365	25.9
316.28421	59.3
317.28882	2.6
396.34598	13.3
414.35681	100.0
414.41306	5.1
415.35886	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	413.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	43.2
57.03441	17.1
57.07073	50.4
67.05491	22.0
69.07062	60.9
70.70877	8.9
71.08626	33.6
72.09841	2.5
79.05484	8.3
81.07052	25.3
82.65957	3.4
83.08611	41.7
85.10149	18.6
91.05478	3.0
91.71481	2.3
93.07045	14.6
95.08604	27.9
95.24507	2.5
97.06534	13.9
97.10165	30.4
107.08594	12.3
109.10154	17.4
111.08085	6.5
111.11733	9.8
121.10141	10.1
123.11702	10.4
125.09594	6.3
135.11693	12.2
139.02518	3.1
139.11154	9.1
147.11836	2.9
149.13261	7.2
153.12723	7.4
163.14833	4.2
167.14302	5.4
177.16299	6.8
181.15892	5.7
191.17952	3.0
247.02135	3.0
303.30157	5.4
313.46671	2.7
321.31387	15.6
395.01382	3.2
395.34915	15.8
411.62033	2.9
413.36261	100.0
414.36557	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3773
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
57.07078	26.8
59.51845	13.8
67.05499	21.9
69.07058	41.5
69.97742	13.1
70.72180	44.3
71.08615	17.8
79.05463	13.8
81.07037	47.2
91.05458	23.3
93.07048	33.2
95.08594	66.1
97.10149	22.3
105.07018	51.4
107.08588	34.6
109.10174	35.8
119.08570	27.1
121.10110	17.3
123.11728	14.4
131.08583	32.7
133.10104	46.5
135.11696	19.7
145.10080	31.8
146.43674	13.8
147.11630	33.6
157.10081	25.9
159.11682	80.7
161.13234	33.9
177.12727	19.9
213.16406	19.6
215.17924	18.0
234.31485	14.2
255.21075	16.8
395.36548	100.0
413.37613	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.7
55.05508	6.4
57.03436	1.0
57.07058	2.2
57.09167	0.6
67.05484	1.1
69.07060	8.2
70.06597	0.6
71.08615	1.7
71.53121	0.8
72.08146	76.5
73.06535	3.3
76.44814	0.6
79.05485	0.9
81.03417	0.6
81.07040	2.9
83.04950	1.0
83.35807	0.6
84.08155	0.9
86.09695	100.0
87.10027	1.6
91.05474	1.4
93.07041	2.2
95.08601	1.6
98.06091	0.7
99.08077	1.1
105.06987	1.5
107.08580	2.0
109.10115	1.5
111.33528	0.6
112.07626	1.4
119.08550	1.8
121.10141	1.3
123.11662	1.1
127.11204	0.6
131.08557	0.7
133.10133	1.4
135.11736	0.7
145.10083	1.3
147.11719	0.9
154.12241	1.3
159.11652	1.2
168.13811	1.0
172.13306	50.0
173.11932	0.7
173.13562	1.2
186.14868	72.4
187.15176	1.8
200.10918	0.8
200.12794	24.0
214.14355	27.7
215.14734	0.7
275.49188	0.6
285.21725	1.3
297.24261	0.7
300.18018	9.3
313.21036	1.1
314.19580	11.1
369.30063	1.1
385.26929	9.6
395.30469	0.7
413.30917	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	413.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05630	1.1
53.03941	2.6
55.05508	47.7
57.03432	21.9
57.06794	2.5
57.07072	43.9
59.04988	1.8
67.05497	20.2
69.03442	1.9
69.07066	72.6
69.88248	1.9
69.88657	4.8
71.04976	2.7
71.08626	28.6
75.04456	1.6
76.75198	1.2
79.05487	9.8
81.03407	1.9
81.07054	27.5
83.04979	3.3
83.08611	42.1
85.02861	1.3
85.06532	3.5
85.10175	19.0
86.90692	1.1
87.04474	1.3
91.05454	2.6
91.76316	1.2
93.07034	13.4
95.08597	28.5
97.06497	8.4
97.10163	28.3
97.15736	1.2
98.20753	1.5
99.11729	2.0
101.06030	1.9
103.47755	1.2
107.08598	9.4
109.02917	1.3
109.10160	13.7
111.08075	4.7
111.11713	9.7
115.07574	2.6
121.10130	11.2
123.11678	6.1
125.09644	7.6
125.13237	2.8
129.09077	2.4
135.11687	10.7
137.13268	1.8
139.11188	7.1
143.10660	1.6
149.13251	8.6
153.12740	6.2
157.12306	1.5
163.14798	5.9
167.14355	3.9
171.13792	1.6
177.16393	4.8
180.43663	1.2
181.15878	4.2
187.97981	1.3
191.17947	2.1
195.17444	2.0
205.19470	2.8
209.19023	2.6
219.21043	2.0
223.20549	2.2
237.22171	1.8
265.25290	1.5
303.30432	6.9
321.31512	14.4
351.91379	1.4
395.35342	9.6
413.21637	3.0
413.36230	100.0
414.36581	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	411.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.6
60.04507	2.6
70.06580	2.0
71.52568	1.6
72.08132	1.6
74.06068	4.6
81.94498	1.4
84.08119	3.2
85.02892	2.5
97.02871	3.7
99.05554	2.0
107.04948	3.6
120.08096	5.2
123.04423	3.4
136.07596	2.3
139.03874	1.8
147.04391	4.0
154.48822	1.5
161.06010	1.6
163.03880	6.0
166.08624	3.7
184.02223	2.0
221.04648	2.4
228.09744	1.5
229.11812	1.4
248.33449	1.5
249.12297	2.3
259.05966	4.5
265.62881	1.7
271.04202	3.8
275.05511	1.9
287.05338	2.2
325.08853	5.6
349.08725	1.5
367.09933	30.2
411.08899	100.0
412.09354	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	411.3253
Annotation	3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one
Peak:m/z	Relative Intensity
55.05491	6.2
57.07053	7.2
65.32996	1.6
67.05494	5.7
69.07062	48.0
69.50360	1.8
71.08626	2.1
71.52836	1.6
71.53307	2.5
78.83856	1.5
79.05473	3.0
81.07050	12.0
83.08610	13.8
91.05433	3.8
93.07022	4.9
95.08581	14.0
97.10143	3.5
105.07001	5.2
107.08573	7.1
109.10162	9.7
117.06952	2.4
119.08553	5.1
121.10114	6.6
123.11658	3.3
125.13237	3.9
130.07793	3.0
131.08536	2.5
133.10149	2.9
135.11673	4.1
137.13234	4.3
145.10114	12.8
147.08015	7.1
147.11636	5.3
149.09596	2.9
149.13197	3.7
153.06798	1.8
155.08524	4.2
157.10115	2.9
158.07280	9.0
161.09560	2.9
163.14735	1.8
171.07994	2.1
173.09610	100.0
174.10066	2.1
175.11153	24.8
187.11154	3.8
189.09105	2.3
189.12733	2.0
191.10645	95.8
191.17969	1.8
192.10966	2.0
199.11122	3.2
203.18057	3.0
213.12703	6.6
215.14311	9.5
227.14223	3.9
231.13707	6.4
240.10316	1.7
269.19000	2.7
323.23645	5.7
393.31378	38.8
393.36212	2.0
394.31601	3.3
411.32419	51.9
411.37317	4.1
412.32593	5.1
434.57623	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91902	10.8
55.05510	14.2
67.05503	27.4
69.07064	12.3
70.18317	41.8
81.03394	14.8
81.07059	21.1
87.05633	10.8
91.05466	19.4
93.07031	16.4
96.83549	8.9
98.20766	12.3
105.07022	17.0
107.08591	22.3
109.10190	10.6
117.07008	15.7
119.04964	9.7
119.08580	28.5
131.08566	28.4
143.08559	28.9
145.10091	58.1
155.08548	24.6
155.68562	10.4
157.10094	16.9
159.08078	22.7
159.11597	10.3
171.11600	13.3
173.13252	25.6
187.14792	31.2
215.14284	100.0
233.15462	17.9
257.15439	13.2
275.16333	28.2
317.17535	15.2
335.18283	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1803
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03928	2.1
55.01879	1.1
55.05500	2.3
57.03434	3.7
57.28921	0.7
61.02908	1.5
61.65550	0.7
63.54046	0.6
67.05510	5.3
69.03425	6.9
69.07048	2.0
70.06564	1.3
71.04982	1.9
73.02901	1.1
79.05492	4.2
81.03418	6.3
81.07047	7.3
83.04990	1.0
83.08593	1.3
85.02898	11.9
91.05482	4.6
93.07031	4.0
95.01891	0.7
95.04948	1.7
95.08611	3.8
97.02889	4.7
97.06519	2.5
98.21526	1.5
99.04444	1.7
99.92494	0.8
103.05484	0.8
105.07037	4.0
107.04912	1.4
107.08572	3.0
109.02866	2.4
109.06502	1.9
109.10136	1.4
115.05414	1.0
117.06998	2.4
119.08565	1.5
121.06493	1.1
121.10133	2.1
123.04420	0.8
123.08025	0.9
125.05950	1.2
127.03949	3.6
128.06200	0.8
129.06961	1.6
131.04898	1.2
131.08565	1.9
133.06483	2.1
133.10094	1.9
135.04416	0.8
135.08035	2.9
135.11674	0.9
137.05951	2.5
142.07782	1.0
145.04939	1.3
145.10078	1.8
147.04353	1.0
149.13223	2.6
151.07523	1.7
153.05487	2.0
155.08537	1.4
157.10094	1.1
159.08089	1.5
159.11633	2.1
161.06023	1.0
161.09615	1.0
163.07520	10.6
167.07097	0.8
172.69885	0.8
173.09602	1.7
175.07509	2.4
176.04669	1.5
177.09071	2.0
177.12740	1.0
179.07057	4.5
183.08003	1.1
187.11287	1.0
189.09039	0.9
190.06248	1.2
190.09880	1.0
191.07027	8.7
191.10660	3.9
195.13771	2.4
200.08255	1.1
201.09181	1.3
203.07034	5.2
205.08598	1.7
205.12198	4.6
211.92761	0.8
215.10646	5.4
218.09312	4.9
229.10272	0.8
233.11705	100.0
234.12025	3.0
251.12761	35.4
252.13309	1.3
269.17480	2.0
293.64014	0.7
333.26025	0.9
339.04126	0.7
413.21423	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01862	3.0
55.05503	18.7
57.03410	1.7
57.07062	7.4
59.04987	3.9
65.03928	2.4
67.05499	21.4
69.03424	7.7
69.07078	9.3
69.51979	1.8
69.52312	13.2
71.04958	2.1
77.03960	1.6
79.05489	22.6
81.07046	35.6
83.04972	4.9
83.08604	2.2
85.06512	4.0
91.05472	40.6
91.30083	1.6
93.07032	42.3
95.04958	46.1
95.08597	32.6
97.06522	6.5
103.05468	3.7
105.04577	1.8
105.07018	100.0
106.07294	2.1
107.04941	1.8
107.08582	24.7
109.06496	12.7
109.10133	12.0
111.08092	2.0
115.05421	2.6
116.06236	1.7
117.07018	12.2
119.04903	3.9
119.08566	63.6
121.06488	14.3
121.10139	12.1
123.08066	14.7
123.11746	2.4
125.06004	2.7
128.06224	5.2
129.06990	7.2
130.07773	3.9
131.08546	22.1
133.06535	3.2
133.10123	16.6
135.08047	14.5
135.11667	5.4
137.09616	7.5
137.13225	2.0
141.07007	5.6
142.07745	12.1
143.08572	14.4
144.09259	2.1
145.06436	1.9
145.10114	31.3
147.08018	17.0
147.11662	44.8
148.12067	1.9
149.09622	15.3
151.07516	19.2
153.09030	1.9
155.08554	5.3
156.09326	6.1
157.10112	19.2
158.07202	1.5
159.08049	4.8
159.11682	10.9
160.08829	2.4
161.09613	7.4
161.13260	7.1
163.11147	6.2
165.09100	37.0
167.08521	3.1
168.09338	2.2
169.10143	8.7
170.10840	2.5
171.11653	11.1
173.09618	7.8
173.13252	6.7
174.10402	2.0
175.11171	28.0
175.14735	1.9
177.09151	3.3
178.09764	2.2
181.10130	3.5
182.10822	2.2
183.11743	7.7
185.09645	2.3
185.13243	6.9
187.11160	4.3
187.14690	2.5
188.98010	1.6
189.12727	5.3
191.14366	2.9
193.10152	2.1
195.11798	2.6
196.12523	3.3
197.13243	3.3
199.11240	2.7
199.14850	2.1
201.12781	9.8
201.16374	3.9
203.14311	16.2
207.11868	2.3
207.13812	7.6
209.13383	2.1
209.15347	2.2
211.14729	4.4
213.12752	3.3
215.14279	1.8
219.13753	5.8
221.13374	2.4
221.15340	67.6
222.15657	2.1
223.14806	3.7
225.16298	2.3
227.14330	2.3
229.15866	4.4
231.13797	4.1
233.15382	2.8
234.16161	15.7
243.13867	2.4
286.19467	3.4
287.20029	6.7
299.20041	1.8
300.20923	4.3
329.21106	4.1
370.94180	2.2
377.36523	1.7
391.26263	6.7
408.26846	1.6
409.27255	36.6
409.35028	3.5
410.27527	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	411.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	60.6
68.03806	5.1
69.25082	61.6
74.97604	6.3
77.67467	5.1
84.96027	29.4
85.02916	8.0
98.97578	88.5
102.97024	6.7
110.60988	5.3
110.97547	14.6
116.98608	65.8
124.99122	20.0
128.98608	28.5
134.99638	25.1
138.05461	6.1
140.98619	6.8
143.00156	69.9
144.98166	8.2
146.99623	16.2
149.01189	7.3
157.01622	5.9
158.99594	19.8
161.01195	100.0
162.99094	14.1
163.03906	8.4
170.99635	10.0
174.99083	7.9
177.00682	29.9
179.02213	16.2
185.01271	8.3
186.99142	17.0
189.00687	16.8
191.01823	5.5
195.01810	6.6
203.02258	14.6
205.00211	42.2
219.01691	7.8
223.01210	40.7
229.00192	7.7
230.98129	10.2
233.03114	6.0
237.00771	13.4
237.02878	8.6
245.03346	8.2
247.01328	8.8
248.99196	26.6
249.02553	8.4
255.01588	11.9
255.03970	6.0
267.00272	40.7
272.99069	10.3
273.02649	15.5
291.00217	93.1
291.03433	6.9
303.00357	11.7
309.01257	66.3
309.04593	10.4
321.01370	15.1
321.04919	6.9
337.86993	6.1
367.09775	21.4
393.03299	10.4
411.04373	8.2
411.09000	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
54.25261	3.7
55.01844	3.9
55.05500	21.0
57.07062	9.5
65.03927	4.0
67.05501	20.8
69.03405	9.0
69.07066	8.9
71.53011	6.3
79.05478	26.9
81.07040	37.3
83.04962	4.6
83.08575	2.8
85.06527	5.5
91.05458	40.8
93.07037	50.9
95.04959	51.1
95.08603	32.9
97.06503	9.1
97.50201	3.7
103.05441	3.7
105.07018	100.0
107.08584	35.7
109.06487	10.8
109.10139	12.3
115.05442	3.9
117.06983	12.2
119.08572	69.0
121.06500	19.6
121.10127	17.3
123.08043	14.0
125.07211	3.4
128.06184	5.0
129.06989	11.5
130.07716	3.5
131.08546	19.3
133.06436	3.6
133.10097	21.9
135.08072	18.0
135.11597	4.4
137.09599	11.0
142.07758	13.7
143.08546	14.0
144.09334	4.4
145.10123	40.1
147.08054	20.6
147.11668	44.6
149.09596	14.0
151.07524	21.3
155.08522	7.5
156.09377	4.8
157.10130	23.3
159.08066	7.0
159.11678	13.4
161.09590	10.8
161.13214	6.3
163.11176	6.8
165.09105	33.1
169.10106	6.7
171.11687	11.8
173.09558	6.9
173.13332	6.5
175.11182	26.9
177.09105	5.2
181.10152	4.7
183.11679	11.8
185.09570	3.7
185.13213	4.7
187.14713	4.1
189.12689	7.8
195.11726	5.4
199.11115	5.9
199.14775	3.6
201.12823	5.1
203.14313	14.8
207.13690	6.8
211.14722	7.4
213.12721	6.3
219.13751	4.3
221.13164	4.9
221.15327	85.5
229.15823	6.2
231.13786	5.1
234.16142	13.5
286.19281	6.5
287.19925	4.9
329.20966	5.8
335.20135	3.3
391.26163	5.8
409.27243	51.0
410.27734	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28919	1.9
51.98066	1.8
52.37890	2.0
53.03927	6.1
55.01841	2.1
55.05510	19.0
57.07059	7.6
59.04990	3.2
67.05499	21.2
69.03407	7.5
69.07054	7.0
69.21790	18.7
69.22197	4.0
71.61943	1.8
79.05488	21.9
81.03380	2.8
81.07049	32.5
83.04967	6.9
83.08598	2.4
85.06523	6.0
91.05472	40.8
92.05794	2.4
93.06482	3.9
93.07036	49.4
94.66008	2.0
95.04958	53.8
95.05560	3.0
95.08592	27.3
97.06508	6.9
98.12524	2.0
103.05440	5.5
105.07021	100.0
107.08585	26.7
109.06517	14.0
109.10172	10.3
109.28855	2.1
111.08087	5.6
115.05449	4.2
117.06982	16.2
119.07720	3.6
119.08572	70.3
121.06502	19.9
121.10122	16.4
123.08044	19.5
123.11668	3.0
128.06198	5.0
129.07019	10.2
130.07776	3.7
131.08578	20.6
133.06508	4.4
133.10124	20.8
135.08020	13.4
135.11681	4.3
137.05927	2.0
137.09613	6.9
141.07008	3.4
142.07765	10.5
143.08556	14.3
144.09293	2.6
145.06511	3.1
145.10098	39.4
147.08012	22.5
147.11674	44.2
149.09583	12.0
151.07544	19.1
153.09167	1.8
155.08557	9.5
156.09294	4.1
157.10138	16.8
159.08066	6.0
159.11668	13.9
161.09613	9.0
161.13216	3.6
163.11191	3.8
165.09085	35.5
167.08578	3.2
168.09332	2.3
168.43642	1.8
169.10126	10.4
170.10898	2.5
171.11659	9.5
173.09592	3.6
173.13260	6.4
174.10339	2.8
175.11157	26.0
177.09085	4.2
178.09833	2.5
181.10039	4.7
181.12230	2.4
183.11685	10.6
185.13237	6.5
187.11133	4.8
187.14789	2.1
189.12724	6.5
194.10855	2.6
195.11597	3.2
197.13248	2.9
199.14781	2.2
201.12721	9.9
203.14262	17.4
207.13768	7.8
209.13318	3.3
211.14848	5.6
213.12735	2.5
215.14366	2.8
219.13629	4.7
221.15344	68.6
227.14157	2.7
229.15900	5.1
231.13794	2.6
234.16060	20.5
243.13814	2.6
286.19223	4.3
287.19968	10.9
300.20752	5.6
310.11816	2.9
329.21060	7.7
391.26050	5.4
409.27231	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2193
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.05502	0.6
60.99420	0.5
67.05493	1.9
69.07056	0.8
79.05475	0.7
79.06828	0.5
81.07027	0.7
83.04965	0.6
84.30258	0.4
91.05472	1.0
93.07018	1.2
93.27889	0.5
95.08599	1.1
98.21589	0.5
105.07009	0.6
107.08572	0.8
109.10143	1.6
119.08546	1.0
123.04383	0.6
133.10092	0.5
135.11647	0.7
145.10088	0.5
173.11710	0.6
257.04373	0.7
327.19952	0.5
327.64978	0.4
335.17877	0.8
353.17999	1.1
409.21915	100.0
410.09906	0.5
410.22269	6.4
432.16699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33998	0.2
53.03918	0.3
58.36244	0.3
59.91930	0.2
66.69941	0.3
67.05471	0.3
69.03413	0.3
69.39885	1.3
69.40321	1.2
70.06585	0.7
70.55277	0.2
72.08132	0.5
79.05468	0.3
81.07021	0.4
84.04484	1.3
84.08133	0.5
85.02902	0.4
86.09691	3.5
87.10028	0.9
95.04933	0.3
102.05537	0.5
105.06996	0.4
107.04932	0.4
107.08554	0.5
119.04917	0.4
120.05242	0.3
120.08089	2.6
121.08394	1.1
123.04410	0.8
127.03920	0.5
131.04904	0.3
131.08485	0.5
133.10124	0.4
135.04347	0.4
136.07553	0.9
137.07867	0.3
153.01805	4.4
166.08632	1.2
167.08929	0.9
179.03384	0.6
193.05089	0.3
198.13167	0.3
203.03427	0.3
215.13936	0.9
216.14255	1.2
217.08540	0.4
229.12173	0.5
245.04427	0.6
247.09692	1.3
247.13017	0.9
257.04486	0.9
271.06076	0.3
287.05469	0.8
391.08203	0.6
409.09290	2.6
409.18265	100.0
410.18579	2.8
421.61273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.9
61.02886	0.6
69.03414	3.1
70.06562	1.6
70.32493	1.7
72.08109	1.0
73.02886	0.8
81.03405	1.3
83.04962	0.7
84.08140	0.8
85.02893	7.1
85.78945	0.6
86.09653	1.9
91.05441	1.2
97.02845	1.7
105.06970	0.5
106.38320	0.5
107.04879	0.9
107.08599	0.5
109.02829	1.3
111.04446	0.6
119.04939	1.2
120.08055	1.3
123.04378	1.7
127.03854	2.1
128.06192	0.6
133.06421	0.6
135.04260	0.7
139.03786	0.7
142.36668	0.5
145.04910	1.4
145.10028	1.5
147.04335	0.9
155.08496	1.2
158.07216	0.8
159.08015	0.7
161.05847	0.5
163.00029	0.6
163.03839	0.8
173.09581	1.8
177.05406	1.3
189.05447	0.8
193.04942	1.1
194.46004	0.6
201.05450	0.7
201.09023	2.0
203.03354	0.7
204.04221	0.6
206.05688	0.9
214.06317	0.6
217.04910	0.8
219.06474	1.9
219.10074	1.8
229.04828	0.6
229.08591	0.8
232.07297	7.6
233.07811	7.3
245.04486	1.9
247.09628	100.0
248.09895	1.9
257.04413	1.7
271.05823	0.7
275.08807	1.3
287.05402	2.5
299.05322	0.7
326.83246	0.6
363.08377	0.6
391.08240	0.8
409.10989	73.7
410.11411	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01854	1.7
55.05511	0.7
56.05017	0.6
57.03420	2.0
57.18120	0.6
57.49123	0.6
59.67187	0.6
61.02910	3.9
63.08674	0.6
63.91180	0.7
67.00689	0.6
68.99782	1.5
69.03416	8.8
69.07050	1.2
70.06573	3.3
71.04986	1.0
71.16254	1.0
71.16582	0.8
72.04488	0.8
72.08138	1.8
73.02881	1.0
74.02434	1.6
77.03917	0.6
81.03403	3.3
81.07024	0.7
83.06095	2.9
84.04491	1.8
84.08131	2.0
85.02893	20.6
85.07658	2.3
85.34332	0.5
86.09687	5.3
86.16563	0.5
87.04451	2.0
91.03944	1.4
91.05477	1.5
97.02873	9.2
99.04438	1.4
99.08070	1.5
107.04948	1.7
109.02849	2.9
110.07219	0.8
111.00800	0.9
115.05437	0.7
117.09100	2.5
118.06503	1.5
119.04929	2.1
120.08065	1.3
120.90601	0.6
121.02818	1.0
122.73701	0.6
123.04412	9.6
127.03925	4.9
127.07523	1.7
128.06250	1.5
129.06973	11.3
129.10254	1.3
130.04977	0.9
130.06502	7.0
131.04898	1.2
131.07329	0.8
132.08063	7.8
135.04379	1.6
136.07538	2.0
139.03883	1.9
142.06526	0.7
143.07280	1.0
144.08064	11.1
145.04910	3.3
146.06004	6.9
146.09599	0.9
147.04391	2.0
151.03859	1.4
154.06479	0.7
156.08066	100.0
157.08415	3.0
158.05995	1.2
158.09589	2.9
159.04404	0.8
160.07529	4.4
161.05997	0.8
163.03844	3.7
163.09752	0.8
165.05397	0.7
168.08084	4.5
170.05977	9.3
172.07468	1.4
174.09123	21.8
175.03871	3.4
177.05421	2.8
181.04945	2.3
183.06802	1.4
183.09116	2.9
184.07547	8.6
187.03851	1.4
188.07039	10.1
189.05432	1.4
191.06882	0.7
192.99998	0.6
193.04938	5.5
200.13939	0.9
201.05412	2.4
201.10199	2.4
202.08580	6.1
203.03345	4.4
205.05014	0.9
212.07031	3.2
215.03392	1.4
217.04819	1.4
219.06473	2.0
228.13370	0.9
229.04909	2.9
229.09691	11.1
230.08083	23.1
231.06444	1.1
233.02499	0.9
234.99033	1.3
241.04959	1.6
245.04349	4.0
247.04106	2.0
247.06029	5.7
247.10744	82.8
248.11105	2.2
257.04495	5.5
259.05930	3.6
271.05930	2.4
277.07068	1.3
283.06006	3.9
287.05438	12.3
289.06949	2.0
299.05484	1.6
325.09146	7.3
349.07550	1.0
363.08667	0.8
367.08429	1.4
391.08176	1.4
409.08878	14.2
409.15784	3.6
409.20706	0.7
410.09305	1.4
410.14737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03938	1.0
55.01859	3.4
55.05505	18.3
56.05031	0.7
56.05840	4.7
57.03430	0.8
58.99578	10.5
59.99913	1.5
60.04510	0.7
60.99163	1.3
61.01159	1.1
67.05491	1.9
68.99780	7.7
69.69028	1.5
69.69431	3.5
70.06576	2.7
72.08149	2.2
73.01138	0.7
76.02225	4.1
76.04007	2.6
77.03912	1.5
78.01801	1.9
79.05479	1.4
81.07048	3.0
82.07352	0.8
83.01347	0.9
83.06094	1.3
83.08610	20.6
84.03988	1.0
84.04492	14.1
84.04973	1.1
84.08144	1.5
84.08942	9.6
85.02895	0.9
85.04237	0.8
85.04840	3.5
86.09676	3.3
86.99044	7.5
87.99398	1.1
88.02209	1.3
89.03926	0.8
91.05476	2.8
95.04958	3.1
97.02889	1.1
98.09673	0.8
99.05540	0.8
99.08080	1.0
101.09652	1.4
102.05546	0.7
102.09962	1.0
105.03387	2.1
105.07036	1.2
107.04945	2.0
107.08602	0.9
107.99902	0.7
108.52948	0.7
111.00769	3.2
112.03932	0.9
116.01662	30.5
117.02055	8.7
118.01276	3.0
119.04899	3.3
120.08091	1.3
121.02843	1.3
121.06470	0.8
123.04414	77.4
124.04755	1.6
128.06221	1.1
129.06633	2.1
129.10234	1.0
130.04990	2.9
131.04987	1.5
135.04356	0.9
136.07579	3.2
137.02362	1.6
139.03900	6.0
141.01836	0.8
141.07034	1.0
142.03224	2.2
143.03474	0.7
144.01129	12.7
145.01486	5.9
145.06464	1.5
146.00705	0.8
146.06235	0.8
147.04390	7.9
149.02306	3.1
149.05991	2.5
151.03889	9.5
152.06174	1.0
153.01813	1.3
153.07019	2.1
155.04881	1.3
156.10182	1.0
157.06505	1.3
158.07990	0.8
159.04420	2.2
159.08382	11.8
160.08728	10.0
161.05968	2.7
162.02187	47.3
163.02496	20.0
163.03903	4.3
164.01759	2.5
167.04951	0.8
169.06509	1.9
173.05965	3.9
175.03894	16.2
176.04213	1.1
177.05450	6.0
179.03418	1.3
181.06407	2.0
183.04379	1.6
185.06007	2.6
187.03877	7.5
189.05444	8.9
191.03392	4.4
193.04933	21.6
194.05328	0.7
195.07945	0.9
197.05989	2.8
199.07350	1.3
201.05467	8.0
202.06184	2.4
203.03374	28.6
203.07098	1.1
204.03798	1.5
209.05974	2.8
213.05475	6.4
214.05814	0.7
215.03336	10.5
215.06799	0.7
216.04079	1.1
217.04930	7.6
219.06558	1.6
223.07552	0.9
225.05516	1.8
227.03398	0.9
227.06982	2.2
228.04265	0.8
229.04933	20.4
230.05609	3.0
231.06496	3.0
237.05482	3.6
241.04932	4.8
243.06422	1.2
245.04431	31.2
245.10156	0.9
246.04732	1.4
247.05992	1.7
251.07112	1.0
253.04916	2.3
255.06461	6.8
257.04425	42.9
258.05084	8.1
259.05991	11.0
260.06509	0.7
260.11353	0.8
261.10825	1.9
262.11035	14.6
263.11380	25.6
264.10696	1.5
265.05099	3.3
269.04358	2.3
271.06033	18.1
272.06284	0.9
278.29749	0.7
279.06421	1.5
279.13760	4.3
280.13956	6.8
281.04285	0.7
283.05975	34.7
284.06348	2.9
287.05469	98.1
288.05743	3.4
290.04337	0.8
297.07474	5.5
299.05484	15.3
307.06116	0.8
321.07056	0.7
323.08554	0.7
325.06934	2.0
333.14694	1.5
334.15155	9.9
349.07388	0.9
365.08084	1.5
365.12036	2.6
367.08017	2.0
379.07904	0.7
391.08066	5.4
409.09103	100.0
409.18082	2.6
410.09567	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	409.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05490	2.8
56.05017	1.9
56.96297	2.7
56.96556	36.1
57.03410	4.2
58.99852	2.6
60.04510	3.1
61.02915	2.9
62.52319	1.5
67.27620	1.4
68.95087	1.2
69.03417	10.0
70.06577	14.0
70.98101	2.5
71.51975	2.3
72.08154	12.9
73.02917	2.3
77.00894	3.7
81.03392	6.7
81.80481	1.4
82.99796	1.7
84.04497	4.4
84.08135	33.2
84.96008	8.7
85.02887	12.7
86.06030	2.4
86.09685	3.2
86.99330	3.0
87.04469	1.5
88.99120	2.9
91.05464	3.8
94.99826	2.4
97.02868	22.3
98.97566	35.3
99.04447	2.9
101.00856	15.5
102.97031	2.5
103.02417	2.4
105.00374	5.7
109.01444	2.7
109.02838	5.0
110.07101	2.5
110.97531	11.5
112.05059	1.7
112.08746	3.2
112.99141	3.2
113.00864	5.4
115.00636	1.8
115.02420	8.6
115.08626	1.8
116.98606	26.4
116.99368	3.2
117.02125	1.7
117.04000	3.9
119.01902	55.6
119.04910	3.5
120.01969	3.9
120.08046	1.8
121.01677	9.6
121.03438	1.8
124.95535	2.5
127.00694	2.6
127.02406	9.2
127.03889	4.3
128.98578	20.4
129.03941	4.9
129.10219	10.5
130.08640	12.1
130.12338	1.7
131.00156	6.4
131.01892	35.4
132.01979	1.7
133.01646	6.6
133.03444	21.8
134.99651	13.4
135.03212	5.7
135.04996	5.0
136.06168	10.3
136.07552	36.6
137.02934	9.9
137.04712	1.8
139.02563	5.1
140.98544	4.2
140.99553	2.3
142.03471	2.3
142.96503	3.4
143.00117	4.9
143.01894	33.7
144.98077	2.3
144.99825	3.1
145.01614	4.9
145.03447	100.0
146.03548	4.5
146.99606	24.8
147.01364	8.3
147.03148	2.7
147.05054	7.4
147.11263	19.9
149.01183	7.0
149.02898	7.7
150.03009	1.9
150.99097	2.9
151.02690	3.2
151.04526	3.1
152.05646	2.1
155.01875	25.4
157.01602	2.7
157.02142	2.0
157.03452	23.6
158.99628	12.3
159.01372	1.6
159.04979	8.0
160.97543	3.7
161.01228	8.5
161.02925	53.8
162.99127	4.2
163.02739	2.6
163.04552	29.9
164.04698	1.7
165.00740	9.1
165.01921	1.3
167.01915	7.2
168.04993	3.5
168.99818	2.4
169.03432	10.8
170.96046	3.5
170.99605	7.2
171.01364	6.7
171.04979	7.5
173.01382	3.5
173.02940	46.2
173.04581	3.5
173.06459	2.6
174.99142	9.7
175.02693	6.0
175.04478	10.3
176.01871	1.7
177.00668	14.7
177.02264	3.3
177.04005	2.2
177.05981	2.3
179.02168	6.4
179.05588	2.0
181.03354	3.8
182.99562	2.4
183.05054	14.3
185.02927	34.9
186.99146	3.3
187.00856	4.5
187.02798	2.7
187.04471	19.8
188.97061	8.3
188.99110	2.5
189.00821	12.4
189.02405	11.3
189.05998	7.6
190.98607	2.8
191.02213	4.1
191.03970	13.4
193.00186	11.4
193.03564	6.7
195.01579	4.3
195.05046	5.1
195.99684	2.2
197.02931	5.4
197.04799	1.7
197.06581	5.9
199.00793	3.6
199.02588	1.8
199.04460	7.0
201.00705	18.5
201.02379	3.0
201.06015	10.4
202.98633	3.7
203.02237	3.0
203.03949	17.5
203.05739	2.0
205.00203	4.3
205.03674	5.4
206.02806	3.5
206.98195	7.7
207.01701	7.0
207.03436	2.6
207.05096	1.6
209.02943	3.5
211.01276	3.7
211.04485	64.0
212.04668	2.4
213.02493	11.7
213.06030	13.6
215.00281	4.1
215.03940	2.5
217.00089	3.5
217.01915	6.5
217.05518	2.6
219.01752	18.4
220.99640	4.0
221.03133	3.2
221.05060	21.9
222.05307	2.3
223.04482	18.7
225.02518	6.0
225.06020	3.1
227.03934	4.1
229.01923	2.1
229.05531	15.2
231.03534	11.4
232.99580	3.2
233.03313	2.2
234.06108	3.1
234.90591	2.1
235.04550	3.0
235.06615	5.2
235.14403	8.8
237.02769	27.2
239.04152	2.4
241.05569	7.3
242.98167	2.3
243.03569	3.0
243.07050	5.5
244.99728	2.8
245.04984	11.7
246.00197	1.8
247.01302	4.0
247.06734	1.8
249.02478	2.5
249.04843	1.8
250.02588	2.5
251.04419	9.7
252.91873	5.2
253.05527	3.6
253.07767	2.3
255.03613	8.3
256.01932	1.9
256.99445	1.8
259.02872	2.4
260.04309	2.3
260.99075	1.9
261.08167	11.7
263.06143	2.3
267.00134	1.7
267.03333	2.7
269.05264	7.7
271.03745	1.4
271.06616	40.9
271.09570	1.9
272.06509	2.1
273.04459	3.5
275.00412	3.1
275.09607	2.6
277.02350	3.0
277.07639	5.5
279.03836	4.3
279.09146	10.1
281.02341	2.6
281.05386	11.6
281.09128	5.6
288.98566	4.1
289.04343	7.9
290.03152	6.0
291.09180	2.8
293.05231	11.7
295.06946	1.8
297.04471	4.6
301.03922	4.0
303.00165	6.0
303.09204	75.1
304.09366	3.8
305.07159	13.8
305.10434	3.2
307.05289	10.4
309.04901	3.6
315.05484	8.9
316.98257	3.1
317.02008	6.6
319.05075	2.7
319.08765	2.3
321.01419	2.4
321.04773	2.1
321.10394	3.0
329.07108	6.4
330.99823	3.4
333.06607	5.9
335.02905	7.9
341.03455	2.1
347.08151	19.5
349.00671	2.3
349.04425	2.8
349.08292	1.7
361.06186	1.6
365.09372	2.2
373.06152	22.2
374.06250	1.7
377.04602	3.4
391.07138	24.4
393.00949	2.1
409.08200	16.2
409.24072	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
55.01870	1.6
55.05503	1.6
57.03442	1.1
59.04983	1.0
63.68232	0.6
65.03941	0.8
65.86243	0.7
66.50148	0.7
67.05508	4.4
68.99786	1.1
69.03433	4.0
70.06580	2.7
71.05008	0.9
72.08142	2.0
73.02895	1.5
75.53589	0.7
79.05488	3.4
81.03400	3.7
81.07054	4.5
81.68704	0.7
83.04969	4.0
83.08581	1.6
84.04498	1.5
84.08128	2.0
85.02898	7.3
86.09702	9.0
87.00835	3.7
91.05480	1.9
91.63432	0.6
93.07043	0.6
95.04970	0.9
95.08597	0.9
97.02885	3.5
97.06522	0.8
98.20735	1.5
99.04437	1.7
105.01855	3.2
105.07033	1.7
107.08585	43.5
109.02856	3.1
109.06488	1.3
110.07153	0.9
117.01794	0.8
119.04945	1.4
120.08125	3.7
121.02846	1.1
123.04414	7.5
124.03957	1.2
125.09620	100.0
127.03918	5.2
129.10263	1.4
145.04942	2.6
147.04419	1.7
159.02887	2.3
161.05963	0.8
162.07680	0.9
177.05469	0.9
177.68826	0.7
187.03857	0.9
189.05479	1.2
193.04955	1.6
199.18089	2.4
200.52927	0.7
201.05516	0.8
203.03442	1.6
227.17598	1.2
229.04895	2.1
229.34981	0.9
231.04887	0.9
245.04460	5.3
246.04713	1.5
257.04401	7.2
258.05319	1.4
259.06033	0.7
271.06082	1.3
274.07285	0.7
283.06100	0.8
287.05414	6.0
299.05444	1.0
307.06018	1.1
321.07642	0.7
325.07050	1.4
391.08136	2.3
408.07913	1.6
409.09128	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	408.2125
Annotation	Glu Leu Phe
Peak:m/z	Relative Intensity
50.67007	0.6
53.72032	0.7
54.80855	0.6
56.05022	3.4
63.74451	0.6
65.13702	0.7
65.51572	0.6
66.04888	0.6
67.01849	1.3
67.64201	0.8
68.99789	0.9
69.03433	0.8
69.07051	2.0
69.27605	7.7
70.06561	1.3
73.44053	0.7
74.21020	0.6
76.25068	0.6
79.05507	0.7
84.04492	47.4
84.08134	0.7
85.02883	2.3
85.04826	0.7
86.09695	100.0
91.05447	1.4
93.07034	1.1
96.04493	1.6
98.21454	1.6
99.66270	0.6
101.79267	0.7
102.05530	21.5
103.05415	3.4
107.04957	1.8
110.06011	0.8
113.07120	2.6
114.05528	1.3
120.08086	90.4
121.08440	3.2
123.04423	1.2
129.06581	6.6
131.04913	1.9
132.10191	3.0
136.07565	3.9
141.06541	5.6
142.04950	0.9
143.08157	1.5
149.05975	1.8
152.10733	3.6
153.01811	34.7
166.08620	64.5
167.08858	1.1
170.11739	7.1
171.02892	3.5
179.03416	3.1
197.12843	26.6
198.13187	1.2
203.98656	0.7
209.04553	0.7
215.13882	59.9
216.14265	1.9
219.01140	1.0
225.12296	10.6
231.11227	2.0
243.13402	13.5
245.04576	0.9
249.12408	1.7
249.15938	2.3
257.04474	2.1
259.10867	1.1
279.17068	4.1
391.08133	0.8
408.22507	3.5
409.09244	1.8
409.18112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45589	3.0
55.01870	5.0
55.05490	9.4
56.05023	4.8
57.03424	7.6
58.99576	15.7
68.99810	3.1
69.07056	7.8
70.06579	18.1
71.11819	8.4
72.08145	6.8
73.65099	3.0
76.02213	21.5
79.05483	6.9
81.07050	27.9
84.04488	29.6
84.08151	11.5
85.02911	5.9
85.04215	3.0
86.00678	3.6
86.09695	12.6
86.99055	5.1
91.05451	5.7
95.08569	6.4
97.02885	5.1
97.06522	4.3
98.09679	12.0
99.08092	6.8
102.05547	6.5
105.07009	11.9
107.08585	13.6
109.06545	3.5
110.07146	4.9
113.04166	5.4
116.01659	25.3
119.08586	7.6
121.10123	7.6
123.04434	6.4
129.06639	4.1
129.10240	7.4
130.05022	10.0
130.06776	3.8
130.08681	4.3
131.08542	7.0
133.10110	23.4
135.04384	3.9
135.07999	3.1
136.07570	4.1
142.03268	3.9
144.01151	8.9
147.04367	4.8
147.11652	5.0
147.72301	3.7
156.08443	21.9
156.10205	12.8
157.06866	8.6
162.02180	20.8
163.03845	4.8
173.13248	27.1
174.09445	18.5
175.14821	27.4
179.04866	11.9
191.14307	11.6
201.05310	3.8
209.15358	13.2
216.06839	3.5
237.60362	3.1
245.04439	30.7
255.52361	3.0
257.04523	4.4
257.09198	3.3
259.11108	100.0
285.12573	3.8
313.12033	4.3
331.13138	3.9
379.08035	5.4
389.06592	4.2
407.07455	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
59.04992	2.3
65.65466	1.3
66.94144	1.3
67.05488	1.6
67.06837	1.4
69.07069	2.4
69.52679	4.0
69.53088	7.8
71.22544	1.5
78.88384	1.5
79.05492	3.0
81.07046	4.8
83.82676	1.6
89.06017	2.1
91.05451	9.6
93.07022	15.4
95.04970	1.8
95.08589	3.4
98.21497	2.8
105.07014	18.1
107.08575	28.4
109.10167	2.8
116.74732	1.8
119.08571	3.1
121.06414	3.7
123.11574	1.6
133.10115	39.3
135.11681	8.3
138.30142	1.5
146.07137	1.4
151.11217	1.8
161.09607	20.1
163.15030	1.6
179.10652	100.0
197.11731	3.6
325.86404	1.4
327.03333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82972	0.7
55.05501	1.8
57.03417	4.6
57.07069	7.4
67.05491	2.9
69.07050	1.8
69.22685	7.4
71.08630	4.3
75.31443	0.7
81.07042	4.5
82.23851	0.7
83.08598	3.1
84.88418	0.7
85.10166	2.1
93.07031	1.1
95.08588	4.8
97.10107	0.7
105.76573	0.6
109.10153	2.3
113.00004	100.0
123.11674	1.0
133.10100	0.7
134.10812	0.8
145.10158	0.8
151.01547	0.8
153.80916	0.6
154.02664	1.2
169.02592	88.4
364.49582	0.8
384.19891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
55.01867	9.4
55.05510	1.5
57.03419	5.1
61.02905	5.6
68.99778	3.9
69.03426	30.4
69.44397	1.3
69.44744	12.6
70.20310	1.4
71.04977	4.6
73.02911	11.3
75.59289	2.0
81.03409	31.9
81.59153	1.3
85.02898	100.0
87.00818	30.2
91.03955	2.7
97.02882	38.3
99.04447	17.0
103.03923	6.5
105.01321	0.9
105.01853	38.0
108.04470	6.5
109.02872	80.2
115.03950	1.8
117.01813	4.8
123.04424	5.7
126.05502	3.2
127.03907	77.8
129.01797	7.1
133.02831	6.5
137.05968	1.7
141.05460	40.7
145.03773	2.3
145.04936	44.2
147.02867	4.8
147.04413	3.6
150.68121	1.4
159.02875	24.0
163.03871	2.6
165.05478	16.6
177.03983	2.2
177.05487	3.9
183.06512	3.5
189.03952	15.8
189.05537	2.3
191.07033	2.5
203.06989	3.3
207.06526	14.7
213.03790	2.1
230.06807	2.2
231.04578	12.3
231.06622	7.1
248.07629	3.5
249.07611	18.7
259.11087	2.1
407.07748	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	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02366	2.9
52.03149	1.7
53.03929	5.2
55.01869	13.5
55.05505	38.1
57.03429	10.0
57.07058	4.9
59.91203	1.9
65.03916	5.8
67.05499	81.2
69.03427	30.1
69.06734	2.4
69.07064	32.2
69.29440	17.3
69.80106	1.7
71.04984	10.1
73.02902	3.1
79.05484	67.1
80.20788	1.8
81.03412	29.6
81.07048	89.9
83.04968	17.5
83.08604	17.8
85.02892	11.5
85.06542	3.8
87.04465	1.9
91.05473	72.8
93.07034	80.3
95.04967	21.0
95.08601	58.0
97.02879	10.9
97.06519	11.5
97.10162	8.2
99.04446	7.8
99.08070	3.2
103.03951	2.0
103.05466	3.7
105.06307	3.8
105.07021	77.9
107.04942	11.6
107.08588	49.1
109.02885	5.4
109.06503	18.3
109.10150	29.3
111.04398	13.8
111.08045	3.5
115.03963	1.9
115.05475	4.5
116.06284	2.4
117.07001	40.0
119.04922	2.6
119.08575	53.2
121.06498	11.1
121.10130	28.7
123.04401	4.6
123.08073	9.5
123.11679	7.2
125.09621	3.5
127.03867	4.2
128.06203	8.2
129.05458	5.6
129.06995	28.3
130.07777	2.8
131.04903	2.9
131.08557	56.1
133.06482	10.1
133.10114	47.0
135.04376	3.2
135.08031	6.8
135.11661	22.6
137.09590	5.0
137.13188	2.8
141.06992	8.1
142.07768	6.4
143.08531	23.4
144.09274	2.1
145.06441	12.0
145.10107	44.9
147.08017	12.1
147.11688	28.5
149.05949	3.5
149.09607	11.7
149.13254	9.4
151.07544	5.0
151.11211	4.4
155.08542	11.4
156.09348	2.7
157.06487	6.7
157.10112	21.6
159.08064	9.0
159.10464	2.9
159.11682	35.4
161.05959	3.3
161.09599	13.4
161.13228	14.1
163.07521	2.2
163.11206	5.6
163.14815	5.4
165.09129	2.2
167.08536	4.0
168.09341	2.2
169.10143	13.9
171.08083	7.0
171.11694	19.5
173.09598	8.0
173.13255	23.2
175.07513	3.9
175.11168	9.6
175.14865	5.6
177.09056	3.5
177.12766	5.7
179.08540	2.7
181.10130	5.4
183.07933	4.4
183.11639	8.7
185.09552	4.7
185.13258	16.8
187.07581	2.5
187.11150	5.3
187.14792	11.4
189.12688	5.4
189.16348	2.8
191.14214	3.6
193.10086	3.1
193.12196	2.2
195.11676	6.0
197.09674	3.0
197.13246	7.8
199.11159	5.7
199.14801	10.8
201.12711	4.7
201.16400	2.9
203.10701	2.2
203.14394	4.0
207.11623	2.3
209.13269	3.8
211.14801	6.9
213.12683	5.1
213.16354	3.9
215.14368	2.7
215.17924	2.1
217.15842	2.6
223.14861	5.0
225.12839	3.6
225.16414	2.7
227.14371	2.4
231.13794	2.8
233.15288	2.2
239.14328	3.2
241.15843	3.0
241.19484	2.4
243.20956	1.8
245.15334	2.6
247.16959	2.8
253.15849	2.4
255.21060	2.3
259.20572	5.8
261.22177	3.0
267.21036	1.9
271.20581	5.5
273.22076	11.5
275.20035	3.2
275.23593	2.2
276.80710	1.8
277.21555	7.8
283.20627	2.5
285.18896	1.9
285.22098	4.6
287.23706	2.9
289.21661	10.9
291.23111	7.0
297.22049	3.4
299.20071	2.9
299.23547	2.3
301.18521	3.0
301.21500	14.5
303.23166	8.8
313.21600	6.9
315.23184	15.4
317.24643	3.4
319.22726	9.1
323.23444	3.3
327.23187	8.2
331.22678	7.7
333.21896	2.6
341.24796	11.6
345.24228	10.4
351.23273	16.2
359.25861	5.2
369.24271	56.8
370.24472	3.2
387.25220	47.9
387.29941	2.7
388.25345	2.5
405.26346	100.0
406.26587	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	405.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
55.05507	9.5
55.84155	0.9
57.03426	4.8
57.07063	3.5
65.25443	1.0
65.53283	0.9
67.05499	5.9
69.07058	11.6
69.32491	0.9
70.87129	1.0
71.04788	2.0
71.08624	2.1
77.71095	0.9
78.54131	0.8
79.05480	4.5
81.07054	7.5
83.08617	10.5
86.49295	1.0
90.84934	0.9
93.07034	4.9
95.01578	0.9
95.08595	5.7
96.82457	0.9
96.85837	0.9
97.06493	1.2
97.10175	7.0
105.07026	1.0
106.92014	1.0
107.08571	2.9
109.10137	2.4
111.08060	1.3
111.11742	1.5
113.00008	100.0
115.00286	1.0
119.08596	1.0
121.10115	3.4
122.34206	0.8
135.11673	3.8
139.01549	1.2
147.11658	0.9
149.13246	1.5
152.09024	0.8
169.02599	90.8
170.02930	1.1
185.13350	1.0
185.32339	1.0
219.20934	1.4
237.22067	6.2
334.83539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01859	5.0
55.05508	5.3
57.03439	6.5
58.20846	3.6
66.14634	3.3
67.05502	10.8
69.03427	29.5
69.07050	4.0
70.06590	13.3
71.52546	3.8
72.08163	4.6
73.02914	4.6
79.05487	10.8
81.03406	26.9
81.07046	12.6
84.08141	6.3
85.02895	59.7
86.09680	8.1
87.00822	17.7
91.05430	5.9
95.04947	8.1
97.02885	13.8
99.04472	8.9
103.03915	6.1
105.01862	20.7
105.07013	3.9
107.04983	10.5
108.08109	7.3
109.02880	16.5
125.06027	4.8
126.05529	8.9
126.09122	7.4
127.03912	30.7
129.10260	5.3
133.00940	3.3
136.07568	17.1
137.05959	6.3
140.07068	12.2
147.02885	4.6
150.09102	6.4
151.03935	4.3
152.07062	63.4
154.08644	5.4
163.03874	4.1
164.07072	17.7
167.07063	8.5
171.02863	4.3
178.08658	10.1
181.04961	9.7
182.08121	100.0
189.03944	14.9
192.10188	6.2
206.08105	22.6
220.09749	10.4
231.05025	7.8
248.09158	99.1
299.05551	5.2
308.10938	4.7
315.60406	3.6
334.09125	12.9
352.10291	7.3
405.10095	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	405.1542
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.00287	1.4
53.03941	1.2
55.01863	2.4
55.05497	1.7
57.03431	1.2
62.39579	0.6
65.03922	1.6
67.05482	3.1
68.99773	1.0
69.03418	2.3
69.51539	0.7
69.51867	5.4
70.06589	1.4
72.08144	0.7
75.00918	0.7
79.05470	2.7
81.03403	3.0
81.07043	2.7
83.04992	0.9
84.08157	1.1
85.02885	2.1
86.09711	1.2
91.05470	1.8
91.27689	0.7
93.07027	1.6
95.04969	3.1
95.08602	1.8
97.02876	2.2
97.06520	2.1
99.04436	1.0
103.05453	1.1
105.03423	0.8
105.07024	1.0
107.04953	5.6
107.08620	0.9
109.02853	3.2
111.04421	1.1
115.05399	1.1
117.06995	1.2
119.04935	1.6
119.08592	0.9
121.02821	0.8
121.06467	1.6
123.04440	4.4
125.05955	0.7
127.03902	2.5
129.06972	1.0
131.04901	2.6
131.08522	1.0
133.02776	0.8
133.06451	1.1
135.04436	7.2
135.08057	0.8
136.10995	0.7
137.05954	7.8
139.03888	100.0
143.04953	0.9
145.06494	0.8
145.10164	0.7
147.04407	2.3
149.05983	2.7
149.09578	0.7
151.03888	34.9
153.01826	1.1
153.05411	2.3
157.06503	1.2
159.04385	3.7
161.05986	2.5
163.03886	24.1
165.05501	1.5
165.09109	0.8
167.07016	4.8
169.04968	3.9
171.04393	1.1
171.06541	0.8
172.05164	1.2
173.05988	1.0
175.03951	1.7
175.07565	1.5
176.04674	3.5
177.05446	13.7
177.09114	0.7
179.03371	1.0
179.07013	1.1
181.04944	22.9
181.08603	2.9
187.07483	0.9
189.05432	17.8
189.09193	1.0
191.07047	2.2
193.04915	1.5
193.08598	34.1
195.06505	5.1
203.06944	1.6
205.04991	2.2
205.08617	2.5
207.06512	2.6
207.10135	0.9
215.07060	0.8
218.05850	0.8
218.90865	0.7
219.06714	0.8
219.10126	19.1
221.08057	1.7
223.05971	2.1
229.08595	2.9
231.06509	0.9
231.09961	4.4
233.04402	0.8
233.08080	7.0
237.11176	5.8
247.06029	0.9
249.11217	1.1
261.08032	0.7
263.09195	1.1
283.06284	0.9
301.07047	2.6
307.08292	1.0
319.08099	2.7
327.08701	2.1
343.11633	4.2
345.09769	5.0
357.13010	1.2
361.12695	9.1
369.13303	5.2
386.30588	0.8
387.14355	10.0
405.15442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.4
64.43497	1.2
70.92555	1.3
70.92887	1.7
75.04442	1.9
85.02899	2.5
85.99845	1.3
91.05468	100.0
95.01306	3.5
109.35327	1.0
130.72929	1.0
137.05933	8.7
141.01816	5.0
149.39964	1.1
150.36868	1.2
193.08580	46.7
196.31131	1.4
211.09605	15.5
216.34547	1.1
272.02417	1.2
273.64224	1.0
369.11676	1.9
402.13022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57212	2.0
56.12897	2.3
61.02909	4.0
69.03425	15.2
71.52413	2.9
72.08151	3.6
81.07053	3.0
85.02899	15.0
86.09691	5.5
91.05451	11.1
93.07024	2.5
95.08590	3.6
97.02856	4.2
105.07014	4.4
107.08611	2.5
108.83574	2.0
109.06509	18.0
119.08558	11.4
121.06475	4.0
121.10100	2.9
122.09641	7.5
123.04401	2.8
123.08037	7.8
127.03864	6.1
131.08551	25.9
133.06450	7.6
136.11250	2.7
137.06004	2.8
145.04916	2.3
147.08047	18.6
147.38815	2.3
149.09586	3.2
151.07533	100.0
156.09334	3.9
163.11176	8.9
166.08588	2.0
171.11713	9.6
177.05441	3.6
178.05719	3.0
189.12724	47.5
191.23637	2.0
198.14842	2.8
207.13789	86.3
207.15749	4.6
231.13884	4.5
242.13928	2.9
352.09976	2.4
369.19019	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	16.0
54.04412	3.9
55.01856	17.3
55.05509	22.4
57.03415	15.4
57.07063	6.8
60.04485	3.9
60.36811	3.8
61.02907	16.2
65.44167	4.5
67.05480	18.5
68.99765	18.6
69.03419	62.6
69.07053	37.5
69.73241	26.1
70.06573	6.8
71.04971	9.3
72.08131	6.9
73.02885	11.3
79.05486	29.2
81.03413	61.2
81.07042	66.9
83.04971	5.1
83.08615	22.0
84.83044	4.1
85.02895	100.0
86.09688	25.8
87.00809	41.4
87.04485	5.3
91.05455	24.5
93.07032	41.9
95.04953	14.9
95.08590	41.1
97.02888	48.6
97.06532	38.8
99.04428	16.8
103.05409	8.1
105.01834	32.8
105.07027	29.8
107.04921	15.7
107.08575	47.4
107.99738	4.2
109.02865	45.4
109.06507	19.4
109.10110	22.3
111.04396	6.7
111.07992	4.6
115.03880	5.5
117.01810	5.2
117.06985	9.6
119.08600	23.7
120.08068	4.8
121.06496	12.1
121.10099	13.1
123.04424	25.4
123.08064	9.7
123.11685	7.4
125.13267	5.2
127.03902	83.3
128.06215	4.4
129.01810	22.2
129.07002	4.4
131.08524	16.7
133.10106	9.3
135.08057	7.9
135.11678	43.9
137.05972	4.9
137.09540	8.0
137.13216	5.2
141.06938	3.9
142.07750	5.2
143.08514	9.8
145.04922	19.9
145.06442	4.6
145.10121	9.8
147.02852	10.0
147.11676	13.5
149.05936	4.1
151.11133	12.3
153.12706	29.4
156.05669	4.2
157.10092	9.2
159.02843	18.6
159.08072	8.1
159.11649	10.4
161.09564	4.9
163.03954	5.1
163.07466	5.6
163.11160	11.9
165.12775	8.0
167.07030	47.7
171.11636	6.7
173.09570	3.6
175.11256	6.2
177.05461	5.0
177.12679	6.6
181.20844	5.3
187.07410	5.0
188.40077	4.6
193.08562	5.5
195.13702	4.2
197.13286	6.2
201.12685	4.1
205.08556	9.6
208.05167	9.5
209.06062	4.7
217.08580	11.8
219.07994	8.5
221.05975	9.1
225.12654	9.6
231.04997	6.2
231.08043	6.6
243.13786	19.5
245.09735	5.5
247.07535	8.1
248.08226	9.9
261.14798	24.6
264.07581	6.0
265.08197	5.2
267.06372	8.1
269.08075	8.2
271.09808	4.6
275.06821	6.5
276.07782	7.2
279.15948	3.8
282.08859	5.9
291.10065	10.2
293.08115	6.1
298.15814	3.8
302.94562	4.7
305.07724	4.2
307.09503	9.0
308.10434	5.0
310.08160	5.4
315.08575	28.6
319.09467	6.0
323.12628	8.3
330.10953	30.6
337.10666	7.6
339.12125	5.6
341.10239	6.8
343.11737	12.0
347.14850	6.5
351.12271	12.0
365.15530	4.3
371.14767	5.7
383.14737	51.2
389.43085	4.8
401.16248	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	403.1384
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
53.03945	0.6
55.05490	1.8
67.05499	2.8
69.07066	1.1
71.52526	0.7
79.05473	1.9
81.03400	0.8
81.07040	2.4
83.01325	1.2
83.08588	0.9
85.02873	0.6
91.05452	1.4
93.07034	1.4
95.04953	1.5
95.08591	1.5
97.06510	0.5
97.10123	0.8
105.07038	1.1
107.04919	0.7
107.08587	1.2
109.10141	0.6
117.06998	1.2
119.08512	0.9
121.06473	0.8
123.04456	0.7
123.08079	0.6
131.08458	0.5
133.06453	0.6
133.10075	0.8
135.04384	1.5
137.02324	4.7
141.01842	1.7
145.10063	0.8
147.04398	0.6
147.08008	0.8
151.03862	1.4
155.03297	0.9
163.03908	0.5
165.09039	0.6
169.04979	0.7
179.03377	17.5
179.04933	1.1
181.04944	0.6
197.04433	8.8
203.03384	0.8
283.06100	0.9
301.07040	5.4
313.07022	100.0
314.07404	4.1
325.07111	1.2
327.08740	1.4
337.06998	0.6
352.09244	0.7
367.11774	5.8
367.22552	0.8
385.12772	28.1
385.23553	1.5
386.12906	1.1
395.36871	0.6
403.13666	1.8
403.24786	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	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.2
55.01868	21.7
55.02083	3.0
55.05505	9.8
57.03424	11.5
57.07067	5.2
58.23725	3.0
61.02922	6.8
67.05506	29.6
68.99780	11.3
69.03426	45.8
69.07056	13.7
69.48148	3.2
70.06585	15.4
71.04999	6.9
71.52577	4.7
72.08150	11.8
73.02901	4.9
79.05489	37.9
81.03415	47.5
81.07053	76.4
81.76300	3.1
83.01326	3.6
83.04965	16.0
84.08133	3.3
85.02901	46.2
85.06514	8.2
86.09695	28.5
87.00825	23.3
91.05480	29.1
93.07040	43.9
95.01328	4.8
95.04961	41.2
95.08595	16.6
97.02898	20.3
97.06514	9.2
99.04453	15.0
101.06005	3.8
103.03938	13.8
105.01863	10.2
105.07032	41.9
107.04964	26.1
107.08579	35.6
109.02876	14.7
109.06501	40.1
109.10150	17.3
111.04437	13.2
111.08090	5.9
113.06042	6.3
115.03935	6.4
115.05450	6.9
117.07034	19.9
118.47164	3.3
119.03378	6.3
119.08573	81.2
120.08068	4.9
121.06502	10.1
121.10126	22.4
123.04425	100.0
123.08073	12.0
123.11707	3.3
125.05978	9.9
127.03911	15.1
128.06242	7.8
129.01819	12.6
129.05498	4.8
129.06973	7.8
130.07767	5.1
131.08531	18.6
133.06491	7.4
133.10120	19.3
135.04456	3.9
135.08051	9.6
135.11700	18.9
137.05974	6.3
137.09618	9.1
139.03896	7.4
141.05461	11.7
141.07037	6.9
142.07753	7.6
143.08531	14.5
144.05702	3.7
145.06451	6.4
145.10089	35.2
147.02840	7.6
147.08037	9.4
147.11679	13.1
149.05978	9.8
149.09631	5.1
151.07520	23.7
151.11171	9.8
153.09203	3.9
153.12807	5.9
155.08527	8.1
156.05688	6.7
157.06490	3.8
157.10136	23.1
159.02899	6.6
159.08049	10.3
159.11624	23.6
161.09616	6.2
163.03880	3.8
163.07503	4.1
163.11177	9.3
167.07045	57.2
167.08481	6.0
169.10114	7.7
171.02870	5.0
171.11668	8.0
173.06004	6.0
173.09663	7.5
173.13271	5.5
175.11201	13.8
177.05492	4.6
177.12724	6.3
179.07050	14.2
183.02869	4.1
183.11699	12.4
187.07515	5.1
187.11209	4.0
189.03902	10.3
191.07108	6.1
192.09361	5.0
197.08064	9.8
197.13229	6.2
199.11041	3.3
201.12759	9.2
205.08559	4.9
208.05212	10.4
210.06752	3.7
215.09248	3.2
215.14217	4.5
217.08589	13.0
219.07986	4.7
219.13751	7.0
220.08748	3.9
221.05875	3.4
225.12785	13.4
231.07944	6.7
243.13808	13.7
247.07513	9.8
247.09804	5.9
248.08307	6.6
254.05771	5.4
261.14935	11.2
263.07059	5.7
263.10681	7.4
264.07712	5.3
267.06543	4.6
269.08029	9.0
277.08798	3.6
279.10498	6.5
282.08896	9.5
291.10141	9.4
293.07928	7.3
307.09607	7.7
310.08426	4.3
315.08548	28.1
321.07788	5.2
323.12604	8.6
328.09525	4.5
330.11008	34.0
331.11545	5.2
339.12393	5.5
343.11685	13.8
351.12158	10.1
353.10101	6.5
365.15710	4.3
368.12585	9.1
368.72107	3.9
383.14804	33.3
401.16956	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69785	1.6
52.84320	1.8
53.64171	1.6
55.05489	3.1
66.54118	1.5
67.05489	3.6
69.03404	2.4
69.07043	2.6
70.06594	3.3
71.04977	2.3
71.52643	2.7
72.08167	2.5
73.71863	1.5
78.04725	2.3
79.05495	17.5
81.03436	2.3
81.07042	9.1
89.03891	3.1
90.65321	1.7
91.05470	9.7
93.07037	5.9
95.04963	6.4
95.08599	2.2
97.06529	3.0
99.04412	1.9
99.93510	1.7
103.05446	3.5
105.07001	4.5
107.04947	34.5
107.08533	2.1
109.02854	3.0
109.06548	1.9
109.10118	2.9
115.05396	2.6
117.03328	1.9
117.07012	5.0
119.08559	3.9
119.39123	1.8
121.06458	3.2
123.04443	6.5
124.05223	6.6
125.05978	4.5
129.06981	7.6
131.08577	11.8
132.05699	2.3
133.06490	1.8
134.03638	2.5
135.04373	3.7
135.07967	2.0
135.11688	2.0
137.05882	2.4
137.09599	1.9
141.06987	4.3
141.44930	1.6
144.05693	7.7
145.02866	5.3
145.06490	5.3
147.04401	3.3
149.05933	2.6
151.03885	2.8
152.04654	4.0
153.01837	6.1
156.05652	8.9
157.06468	4.3
158.07236	2.5
159.08049	13.1
163.03931	10.4
165.05568	1.6
165.06992	2.8
166.75543	1.8
167.07027	100.0
169.06476	2.9
173.05952	2.0
174.06836	2.2
175.07445	2.1
176.04709	2.3
177.05455	14.3
179.06985	2.5
181.04933	3.7
181.08603	4.5
183.06538	2.2
186.06715	3.5
187.07571	10.7
189.05460	2.7
189.09122	2.3
190.06247	4.8
190.07886	2.0
191.07051	3.3
191.08578	3.1
193.08601	2.2
195.06534	4.0
201.07211	2.2
201.09076	3.9
202.06224	3.2
202.07805	3.3
203.08583	4.3
205.06691	2.5
205.08543	24.1
205.10315	1.9
206.07388	1.9
207.06404	11.1
207.08263	2.4
207.10217	4.7
208.05139	3.4
208.08772	2.6
209.08066	2.9
210.06816	3.6
211.07529	2.9
217.08539	19.1
218.07262	6.2
219.08049	14.2
219.10109	5.4
220.08835	3.8
221.06024	4.8
222.10878	1.9
222.74887	2.0
225.09174	2.0
229.08653	7.1
231.08051	8.2
231.10085	2.6
233.06087	2.7
233.09546	6.6
234.06766	4.1
235.07457	5.2
236.08212	4.8
238.06142	2.3
245.09677	3.5
246.06706	2.6
247.07619	15.1
247.09558	15.6
248.08246	13.0
249.05511	2.9
249.09001	3.2
251.10675	4.0
254.05690	2.1
255.06477	4.2
259.07513	3.9
261.09122	5.7
262.06299	2.7
262.09937	5.2
263.07108	3.4
263.10657	9.3
264.07721	10.0
265.08630	6.1
266.05701	2.9
267.06622	2.6
269.08102	3.4
271.09720	12.9
275.06949	7.2
276.07776	8.4
277.08441	3.7
278.05710	2.1
279.10059	8.2
280.10910	2.2
281.08032	2.9
282.08972	3.8
285.07523	2.8
290.09369	6.5
291.10046	18.0
292.07361	8.5
292.10608	2.6
293.07999	10.2
294.09045	2.4
295.09613	2.4
296.10287	3.5
299.09119	7.0
301.06943	3.7
305.08005	4.2
307.09567	17.1
308.10370	5.9
309.07562	2.0
309.11301	2.7
310.08374	4.7
311.13065	2.5
315.08591	9.3
316.09460	2.9
318.08905	2.5
319.09601	7.5
321.07578	5.6
322.08395	3.0
323.09171	3.5
323.12787	10.8
325.07111	3.5
325.10727	3.2
330.11005	12.0
331.11749	20.5
336.09891	5.1
337.10638	5.5
339.12122	11.7
341.10333	2.3
343.11682	6.0
350.11407	2.2
351.12238	25.6
352.12903	4.1
353.10046	11.1
356.12576	3.4
368.12527	14.5
371.14914	7.5
383.14941	71.5
384.15326	3.1
401.12054	6.3
401.15970	19.8
401.21460	2.8
401.23187	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28554	1.5
53.03933	3.2
58.29959	1.8
58.79990	1.5
64.31984	1.6
66.00709	1.6
67.05474	2.2
67.77031	1.6
69.03397	2.1
70.06573	3.5
72.08123	2.9
72.45440	1.7
75.97958	1.9
79.05482	16.9
81.03399	3.8
81.07050	3.6
84.08095	2.4
85.02866	4.4
86.09700	5.4
91.05475	9.7
93.07013	6.7
95.04966	4.5
95.08549	1.8
97.06389	1.9
103.05444	2.6
105.07018	5.7
107.04944	29.0
107.08588	4.6
109.02882	2.3
109.06505	3.3
115.05471	4.0
116.06247	2.3
117.06989	5.1
119.04884	2.4
120.08139	2.1
121.06454	2.5
123.04385	7.0
123.08140	2.6
124.05171	4.9
125.05946	2.3
128.06169	4.0
129.06969	6.5
131.04895	2.0
131.08583	9.5
135.04346	2.2
135.11688	9.7
137.59142	1.6
139.03854	2.3
141.07018	4.4
142.36259	1.9
144.05682	5.7
145.06494	5.5
147.04399	3.7
151.03874	2.7
153.01836	3.6
153.05438	5.7
156.05658	13.1
157.06462	5.3
158.07297	2.8
159.08052	15.7
161.05923	4.8
163.03900	4.6
167.07027	100.0
169.06400	2.4
173.05966	5.4
174.06821	2.3
175.07503	2.0
177.05423	2.2
179.07031	3.3
181.04922	3.7
181.08545	3.8
182.07216	2.9
184.05182	4.0
186.06721	4.1
187.07529	10.6
190.06154	2.8
190.07703	2.9
191.06946	3.2
191.08514	3.4
193.06509	1.8
193.08563	3.8
195.06503	4.5
202.06184	6.2
202.07835	3.1
203.06856	2.4
203.08495	4.6
205.06709	3.3
205.08507	14.6
207.06505	6.9
207.08194	2.3
208.05183	19.5
209.06053	2.0
209.07967	3.8
210.06662	2.4
211.03934	1.8
211.07620	2.7
214.06088	1.8
215.08611	3.0
217.08530	29.5
218.07220	5.3
219.08011	14.7
219.10150	5.5
220.08807	5.1
221.05923	7.0
222.06639	2.7
224.04697	1.9
229.08562	6.9
231.08008	7.0
231.10074	3.8
233.09656	3.8
234.06633	3.6
236.04671	8.0
236.08359	2.2
238.06161	5.0
239.07169	3.3
240.04042	3.3
245.09555	3.5
246.06563	2.4
247.07439	11.4
247.09647	20.9
248.08313	10.6
249.05444	2.6
249.09251	4.3
254.05692	10.1
257.04398	3.1
259.07568	2.9
261.09073	5.8
262.09860	4.1
263.06979	2.7
263.10754	9.1
264.07718	10.6
265.08560	6.6
266.05624	2.3
267.06488	8.1
268.03677	2.0
269.08075	21.7
271.05896	2.7
271.09595	7.0
272.06683	4.4
274.06259	2.8
275.07007	6.8
276.07721	8.1
277.08560	5.9
279.10175	10.3
282.05661	2.8
282.08780	13.9
290.09372	5.1
291.10129	17.0
292.07263	5.6
293.08011	11.4
294.08780	3.8
295.06180	2.9
297.07516	2.5
299.09085	5.9
300.06189	2.5
301.06998	3.2
305.08060	3.6
307.09622	11.2
308.10391	8.7
309.07690	2.6
310.08282	7.0
311.12830	2.8
315.08578	63.2
316.08923	2.4
319.09641	9.0
321.07590	4.2
323.12704	15.6
325.06989	3.2
325.10510	2.9
328.09341	6.9
330.10938	79.9
330.14914	4.0
331.11490	14.1
336.09808	6.8
337.10556	9.0
339.12253	8.6
343.11755	19.3
351.12250	28.6
352.12875	3.8
353.10190	3.4
356.12582	4.8
367.11786	2.2
368.12393	9.6
369.13184	4.9
371.14746	4.2
383.14896	64.6
384.15216	2.8
389.81509	2.0
391.16394	2.2
401.15909	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01852	1.5
57.01480	1.3
57.01814	1.6
67.05491	2.6
69.03403	1.5
69.55083	1.2
69.65438	8.4
70.06587	1.5
78.04734	1.4
78.30812	1.2
79.05479	16.0
81.07035	3.1
91.05446	8.1
93.07051	1.6
95.04936	6.3
95.08591	1.8
97.06496	3.4
101.02354	1.5
103.05473	2.2
105.07021	3.8
107.04948	27.8
109.06494	3.0
115.05403	4.4
115.60268	1.5
116.06176	2.5
117.07001	2.7
121.06472	2.2
122.03542	2.0
123.04421	3.2
124.05164	6.6
125.05967	3.2
128.06201	2.9
129.06985	5.7
131.04881	2.9
131.08539	8.4
133.02870	1.5
133.06563	2.4
135.04405	2.4
137.05965	2.0
141.06949	4.0
144.05684	8.5
145.06485	6.5
149.05916	2.3
151.07455	1.7
152.04617	3.9
153.05464	1.9
156.05646	11.8
157.06410	3.4
158.07196	3.7
159.04352	1.7
159.08000	12.3
160.08315	1.6
161.05968	3.3
163.03903	4.7
167.07021	100.0
169.06371	1.9
169.07646	1.7
170.07196	2.1
173.05965	5.0
177.05490	2.6
179.03412	1.6
179.07036	3.0
181.04941	3.2
181.08591	3.0
182.07304	1.3
183.06329	1.7
184.05164	3.0
186.06702	3.2
187.07527	9.4
189.06981	2.2
189.09163	1.6
190.06219	2.5
190.07758	3.2
191.06953	4.4
191.08568	3.3
192.55724	1.7
193.06442	1.8
193.08568	1.5
195.06491	4.7
201.09033	2.3
202.06166	6.2
202.07826	3.6
203.08517	3.4
205.06604	3.0
205.08527	15.6
207.04845	1.7
207.06448	6.7
207.08212	2.4
207.09972	2.0
208.05174	21.5
208.08739	2.8
210.06776	2.5
211.07564	1.7
217.08553	27.4
218.07275	6.0
219.08034	11.0
219.10201	5.7
220.08678	4.3
221.05957	6.4
222.06898	1.6
225.05383	2.7
226.06233	2.3
229.08519	6.9
231.08005	12.1
231.10153	3.4
232.08786	2.5
233.05791	2.0
233.09567	5.1
234.06696	3.7
235.07480	3.5
236.04707	9.0
236.08232	4.7
237.09146	1.5
238.06374	2.5
239.07042	3.5
240.04060	1.7
241.08612	2.1
245.09587	4.1
246.06561	2.2
247.07454	12.4
247.09651	18.5
248.08286	14.1
249.05548	3.4
249.08977	3.3
251.06961	2.1
251.10651	3.8
253.08667	2.5
254.05690	11.6
255.06404	2.2
256.07196	2.6
257.04388	2.0
259.07513	4.9
260.08344	1.7
261.09036	6.9
262.06119	3.1
262.09818	3.2
263.06915	3.8
263.10626	10.8
264.07834	8.6
265.08652	6.5
266.05762	1.8
267.06522	9.5
268.03799	3.4
268.06888	2.0
269.08020	27.1
271.09604	8.4
272.06763	4.8
275.06982	6.5
276.07712	7.6
277.08563	6.5
277.15613	1.6
278.09149	2.0
279.10068	9.0
281.08029	3.0
282.05518	2.7
282.08810	16.0
285.07516	3.0
287.09213	2.3
289.08362	2.9
290.09262	5.3
291.10165	17.7
292.07175	5.4
292.10400	3.1
293.08142	9.9
295.09720	2.4
297.07626	2.7
299.09143	5.5
300.06265	2.4
301.07025	5.1
304.07050	1.9
305.08044	3.0
307.09686	11.5
308.10434	7.4
309.07474	3.2
309.11075	2.6
310.08289	9.8
311.12823	3.0
313.10577	1.9
315.08569	67.3
316.08969	2.6
319.09564	10.0
320.10120	2.8
321.07486	4.0
321.11063	2.5
322.12012	2.3
323.09290	2.6
323.12689	15.3
324.09854	2.2
325.07050	5.5
325.10645	2.0
327.08414	2.1
328.09406	6.9
330.10928	88.0
331.11536	12.7
336.09885	5.4
337.10602	8.3
338.07574	2.2
339.12189	10.3
343.11768	25.8
351.12231	27.3
352.12863	5.1
353.10114	7.8
356.12436	4.8
368.12378	12.2
369.13300	4.5
371.14847	5.1
383.14905	68.9
384.15335	3.3
401.16190	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
58.77135	2.0
60.07477	2.2
60.41089	2.0
70.06578	2.4
71.25913	5.5
79.05492	15.7
91.05475	6.9
95.04964	5.4
107.04954	33.1
109.06493	4.0
115.05451	6.5
116.06226	3.7
118.82778	2.4
121.06530	2.6
123.04417	6.0
124.05202	6.9
125.05949	3.2
128.06229	3.7
129.07031	6.1
131.08563	4.9
141.06941	3.6
144.05688	5.3
145.06453	7.1
149.05913	2.6
152.04665	4.9
156.05663	6.9
157.06488	4.1
159.08049	7.2
165.06979	4.3
167.07022	100.0
169.06438	4.9
173.06017	6.7
179.07042	3.8
181.08575	4.1
187.07503	3.9
190.06252	4.7
190.07811	3.8
191.07018	3.7
191.08569	7.4
195.06522	2.8
201.09081	3.3
202.07765	6.4
203.08635	4.2
205.06700	4.6
205.08571	15.9
205.10243	3.8
207.06380	4.1
207.08121	4.1
208.05122	21.5
208.08731	4.6
210.06691	5.2
211.07529	2.9
215.08566	3.5
217.06635	3.6
217.08539	13.8
218.07248	7.8
219.08035	24.3
219.10109	5.1
220.08759	8.1
221.05940	14.1
221.09497	4.3
227.06857	2.6
229.08554	8.5
231.08061	8.8
232.08928	4.1
233.09547	8.6
234.06743	3.9
235.07507	5.8
236.04701	10.0
236.08284	5.5
237.09087	2.5
239.07025	6.6
240.04175	3.6
244.08728	3.6
245.09567	5.2
247.07495	28.8
247.09700	3.4
248.08324	16.9
249.09032	6.1
250.06046	3.0
254.05685	6.7
258.06873	3.1
259.07553	6.2
260.08389	4.9
261.09103	7.7
262.06256	4.4
262.09711	5.8
263.07040	6.8
263.10632	10.3
264.07724	13.8
265.08603	9.3
267.06451	12.4
268.03705	3.2
269.08026	19.7
271.09586	6.0
272.06732	3.4
275.07016	9.5
276.07800	11.6
277.08517	4.4
279.10052	12.7
280.10791	2.6
281.08163	5.3
282.05496	4.6
282.08826	26.5
289.08475	2.8
290.09225	5.7
291.10010	20.3
292.07388	8.1
292.10672	4.0
293.08054	13.4
293.11148	3.1
296.10553	4.4
299.09085	5.1
304.07355	5.1
305.08121	5.7
305.11609	5.0
307.09662	18.6
308.10291	6.7
309.07581	3.8
309.11084	3.4
310.08331	9.4
311.12814	7.1
315.08597	69.3
319.09540	10.5
321.07504	8.9
321.11127	3.5
323.09320	2.6
323.12869	15.8
325.10614	4.2
328.09375	6.9
330.10965	67.3
330.14911	3.8
331.11603	8.2
335.09073	3.4
336.09900	5.7
337.10614	8.1
339.12167	16.5
343.11710	30.9
351.12238	29.6
352.12808	7.4
353.10046	11.7
356.12585	5.0
367.58365	2.4
368.12720	13.4
369.13254	3.6
371.14975	6.7
383.14856	96.7
384.14883	3.2
401.11099	2.7
401.15375	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	401.123
Annotation	Lisetin hydrate
Peak:m/z	Relative Intensity
53.03929	0.1
59.04995	8.0
60.05315	0.2
65.03953	0.1
67.05495	0.4
68.09827	0.1
68.99789	0.2
70.05810	0.5
70.06223	0.3
71.15670	0.1
72.08130	0.2
79.05485	0.4
81.07049	0.2
85.47881	0.1
89.03919	0.3
91.05472	0.3
95.04957	0.7
95.08558	0.2
107.04929	0.5
109.10174	0.2
111.40964	0.1
117.03355	0.4
121.02880	0.2
121.10152	0.3
123.04418	0.2
125.07249	0.1
127.03871	0.2
135.04395	3.2
137.02313	0.3
139.03871	0.2
149.02016	0.1
153.01834	0.2
153.05405	0.2
161.02322	0.6
163.03882	1.6
165.48036	0.2
167.07010	0.7
177.05467	0.2
177.07121	0.2
181.04935	1.8
181.06375	0.3
183.06728	0.1
191.03368	5.1
192.03891	0.2
195.08128	0.3
205.08549	0.2
219.08099	0.2
219.10118	0.2
251.07080	0.3
269.08044	0.4
273.50894	0.2
279.06421	0.4
297.07538	2.2
307.06070	0.4
310.04785	1.1
315.08411	0.2
323.13199	0.2
324.06216	0.2
325.07025	100.0
326.07361	6.0
330.10776	0.2
383.14883	0.6
401.12241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1228
Annotation	Lespedezacoumestan
Peak:m/z	Relative Intensity
51.70904	0.6
55.01863	0.8
55.05492	1.2
59.04992	3.1
67.05476	2.5
69.03405	0.7
69.07059	1.1
70.06564	0.7
71.30066	1.5
71.91995	0.6
79.05489	1.9
81.07041	2.5
82.76324	0.6
91.05451	1.9
93.07056	1.0
95.04957	1.2
95.08570	1.6
105.07000	1.8
106.97035	0.7
107.04931	2.0
107.08563	1.2
109.02853	1.4
109.06470	0.9
109.10149	1.2
119.08575	1.6
123.04450	0.9
129.06990	0.8
131.08580	0.9
133.10104	0.7
135.04382	2.3
137.02347	3.6
145.10135	1.0
147.04489	0.9
148.07579	0.7
149.02161	0.7
151.03902	1.1
153.01810	1.0
155.03400	0.9
161.02496	1.1
161.09631	0.7
167.07014	3.1
175.07497	1.3
175.11136	0.8
177.05508	0.8
179.03438	7.8
181.04927	1.1
191.03302	1.0
197.04375	3.5
205.08624	1.1
231.06575	2.2
249.07578	2.2
255.06627	0.7
257.12799	0.9
275.06744	0.7
285.07684	0.8
297.07550	1.0
299.05371	1.1
300.06219	3.3
301.06790	1.2
313.07034	35.6
314.07516	3.0
322.08279	1.1
323.09039	1.0
325.07062	9.0
327.05075	1.0
327.08636	0.9
329.06592	1.6
337.10635	1.5
341.10181	38.1
342.10538	2.6
351.12338	0.8
353.10242	6.4
355.11765	7.4
358.53152	0.7
365.10190	11.6
365.20984	0.7
383.11200	100.0
384.11472	5.1
401.08334	0.6
401.12259	5.3
401.23654	0.8
422.44269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.123
Annotation	Piscidanol
Peak:m/z	Relative Intensity
53.03928	0.5
53.59411	0.3
55.05477	0.5
55.93433	0.4
59.04945	1.7
67.05466	1.0
68.99734	0.6
69.07018	0.9
70.06535	1.0
70.10363	1.8
72.08105	0.5
79.05431	1.3
81.03380	0.7
81.07014	0.7
83.01290	1.2
83.04901	0.4
84.08101	0.5
86.09670	0.5
91.05425	0.9
93.07008	0.7
95.04938	0.9
95.08592	0.6
97.02840	0.8
97.06480	0.6
105.06948	0.9
107.04922	1.0
107.08573	0.4
107.70231	0.3
108.61865	0.3
109.02815	0.8
110.07166	0.6
118.93745	0.4
119.08504	0.6
121.06438	0.5
123.04434	0.5
129.06952	0.5
131.08492	0.7
133.10081	0.4
135.04340	1.4
137.02328	4.1
137.05945	0.4
139.00259	0.4
139.03847	0.9
147.04379	0.7
151.03851	1.2
153.01779	0.9
161.02263	0.4
163.03848	0.6
165.01836	0.5
167.03302	0.5
167.07039	1.8
171.11537	0.5
177.05392	0.5
179.02045	0.6
179.03387	4.5
181.04855	0.9
183.02811	0.7
187.07422	0.6
190.73859	0.4
191.03342	1.5
193.01328	4.8
195.02847	8.8
197.04401	2.7
203.03410	0.5
203.06862	0.4
203.08578	0.4
207.06337	0.5
208.06911	0.5
209.04312	0.4
211.02356	8.3
217.08510	0.8
221.04266	0.4
231.06355	0.7
236.08241	0.4
246.12102	0.7
253.13150	0.4
256.07504	0.4
264.07816	0.6
269.08115	0.5
272.06931	0.4
279.10242	0.4
283.05872	0.7
285.31635	0.4
291.10098	0.6
293.07919	0.6
297.07462	0.9
299.05493	1.6
300.06174	2.2
301.07040	1.8
307.06110	0.8
308.10278	0.4
313.07022	26.5
314.07486	2.1
319.02640	0.4
319.09576	0.5
321.07425	0.6
322.08316	0.6
325.07028	20.1
326.07486	1.3
327.04971	34.9
328.05219	1.7
329.06509	100.0
330.06955	4.7
330.10620	0.7
337.10739	2.0
339.08588	0.6
340.05414	0.5
341.06741	0.8
341.10242	1.4
345.06110	1.6
351.12460	0.5
353.10104	1.4
355.11719	14.1
356.12289	0.5
365.10095	4.9
383.11145	38.6
384.11438	1.8
401.12271	44.5
402.12714	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	401.1228
Annotation	Piscidanol
Peak:m/z	Relative Intensity
53.43156	0.3
55.05494	0.4
59.04997	1.7
60.22370	0.4
64.63641	0.3
68.99806	0.3
69.03422	0.3
70.00808	1.6
79.05469	0.6
81.03408	0.4
83.01335	0.6
90.93262	0.3
91.05460	0.7
98.21514	0.5
105.07024	0.5
107.01289	0.4
107.04939	1.0
107.08511	0.4
107.25118	0.3
115.38002	0.4
123.04411	0.5
127.03879	0.4
135.04425	1.6
137.02312	3.1
139.03792	0.4
141.01805	0.4
141.07019	0.4
144.96257	0.3
151.03839	1.0
153.01805	0.3
156.05661	0.4
161.02278	0.8
163.03854	0.6
167.03360	0.5
167.07027	1.7
177.05362	0.4
179.03362	5.0
181.04964	0.7
191.03339	1.3
191.06871	0.3
193.01291	5.4
193.04890	0.4
195.02873	7.7
197.04414	2.1
211.02347	7.6
217.08524	0.5
218.12128	0.4
219.08032	0.4
247.07388	0.5
248.08409	0.5
276.07877	0.4
279.10004	0.4
283.06024	0.4
285.07382	0.6
291.10181	0.7
297.07388	0.8
299.05536	1.7
300.06400	1.5
301.07028	2.2
307.06003	0.4
313.07025	24.4
314.07523	1.8
315.08557	0.8
322.08212	0.6
323.09076	0.4
325.07025	18.1
326.07346	1.0
327.04959	32.5
328.05420	1.4
329.06509	100.0
330.06812	3.9
330.10446	0.5
337.10730	1.7
341.06433	0.5
341.10068	1.3
345.06116	1.0
351.12405	0.7
353.10178	1.1
355.11734	10.8
355.16125	0.6
356.12177	0.9
365.10162	3.9
368.12650	0.4
383.11154	36.6
384.11554	1.9
401.12247	34.9
402.12708	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	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80233	3.6
55.05504	21.6
55.05734	3.1
57.07061	10.7
67.05500	27.3
69.07061	22.4
69.30930	17.2
69.31354	17.8
71.08638	6.2
79.05486	19.9
81.07054	59.8
81.58881	3.6
83.04959	6.0
83.08590	11.8
85.06510	4.8
91.05494	17.7
93.07038	52.4
95.04953	5.3
95.08602	100.0
97.10179	7.6
99.04459	5.0
101.05988	13.1
105.07019	40.9
107.08583	65.6
108.13268	4.1
109.06464	4.9
109.10144	49.6
119.08569	32.9
121.06491	4.5
121.10142	60.0
123.11702	17.5
127.11168	4.9
131.08516	9.5
133.10117	28.2
135.07962	6.4
135.11682	59.0
136.92842	4.5
137.13191	5.5
145.10085	12.7
147.11668	38.3
149.13237	29.2
157.10114	6.5
159.11667	17.3
161.13264	21.9
163.11156	5.0
163.14806	9.2
173.13228	10.2
175.14810	13.6
177.12724	14.1
177.16339	6.0
181.12221	10.9
189.16360	16.0
191.14302	8.3
191.17909	64.4
195.13803	17.7
203.17944	22.1
205.19528	6.4
207.13763	9.5
209.15276	19.7
217.19453	22.8
229.19514	4.3
256.28058	3.8
381.31522	12.9
399.32526	52.8
400.37872	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	399.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.8
56.05020	2.1
56.89090	1.6
56.96560	32.4
57.03420	2.0
59.77795	1.7
69.03400	7.6
70.06567	5.8
71.08627	2.0
71.51736	2.5
72.08146	2.2
73.11258	2.0
74.25233	1.8
77.00897	2.6
79.04207	1.6
79.29974	1.6
81.03381	4.2
82.99854	2.9
83.04969	2.0
84.08144	2.1
84.96004	6.8
85.02917	13.9
85.03693	1.5
86.99296	2.2
91.05461	6.9
97.02883	18.9
97.06440	1.7
98.97573	36.0
101.00876	13.6
102.05494	3.4
105.00331	3.4
107.04939	4.5
109.02869	3.3
110.07156	4.6
110.97543	7.7
112.99139	2.1
113.00820	8.2
115.02400	4.4
116.98612	27.0
119.01910	69.3
119.04900	4.6
120.01987	2.2
123.04366	3.3
124.99115	1.8
127.02393	3.4
127.03895	4.2
128.98613	8.8
131.00165	2.9
131.01897	41.8
133.03482	9.9
133.62924	1.9
134.99638	13.4
135.04381	2.7
136.06187	14.3
136.07675	1.7
137.02962	12.8
137.05943	4.0
139.03877	5.1
142.03477	2.1
143.00172	4.5
143.00768	1.9
143.01888	37.7
144.98091	2.0
145.03467	31.1
146.05986	7.3
146.99641	14.6
147.01291	4.3
147.04338	2.4
147.06418	2.7
148.03914	1.9
149.01212	2.8
149.02916	7.6
153.00725	2.5
155.01872	25.0
156.02663	15.4
157.01675	2.5
157.03488	12.8
158.99651	4.9
160.07581	2.9
161.01219	14.4
161.02914	88.5
162.03056	3.3
162.99100	2.4
163.04533	5.3
167.01874	3.1
170.99591	2.0
173.02950	44.2
173.07101	4.3
174.03679	2.0
174.05499	2.8
175.02641	2.4
175.04524	4.0
177.00723	8.6
177.05457	3.0
179.02248	5.9
179.03900	2.4
181.03416	2.0
182.99632	6.6
184.02881	2.1
184.04515	5.2
185.01424	3.0
185.02827	10.1
187.02852	2.1
189.00653	4.7
191.03899	5.2
191.08157	3.9
195.04993	20.0
196.04596	1.8
197.02928	3.8
199.04582	2.0
199.10872	2.0
201.00681	15.9
203.03981	28.1
207.01611	2.0
210.99178	2.3
213.00699	8.3
213.02390	2.5
213.06042	5.2
219.01738	18.5
219.04999	16.4
219.07559	6.2
220.05724	4.3
221.05034	100.0
222.05240	5.4
223.04482	3.7
226.05487	2.2
229.00136	10.0
231.01660	5.3
231.05005	17.2
232.05811	1.9
233.06512	6.0
237.02744	25.4
237.06044	21.8
237.08627	5.4
237.12492	2.1
239.05937	2.5
243.01564	1.9
244.06635	5.1
244.99619	4.4
245.05020	4.5
247.01062	2.2
249.06137	18.5
250.09331	13.9
254.98100	36.9
255.03868	2.9
257.04349	2.1
261.06036	6.2
263.05804	2.1
267.07059	1.9
272.99142	30.2
273.05988	12.5
273.14960	2.1
279.04068	2.9
279.07040	7.5
279.09821	3.3
291.07022	6.3
296.99213	5.5
298.10007	1.9
321.08160	52.9
322.08258	3.3
323.01160	2.4
339.04794	4.3
339.09210	48.5
340.09546	3.0
357.06393	5.5
357.10272	92.1
358.10428	4.8
362.10962	4.0
362.99792	3.2
380.11758	4.8
381.01260	23.2
381.10104	15.6
399.02332	15.1
399.11700	68.6
400.11725	2.9
417.03098	11.0
422.03696	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	400.106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05490	1.3
56.05019	4.1
57.03414	1.4
69.03427	1.9
69.07069	1.4
70.06571	3.7
70.99142	3.0
71.08617	1.3
72.08125	1.7
74.42625	1.2
77.03892	1.5
79.05490	4.1
81.07056	3.0
83.07139	1.1
84.04498	2.2
84.08143	1.8
84.42599	1.2
86.02406	2.4
86.09696	3.5
91.05487	3.5
95.08585	1.9
97.01089	2.2
97.02886	1.5
97.06521	1.2
100.03958	2.6
101.06042	1.7
103.05440	2.4
105.07018	26.4
107.04906	3.0
110.07198	1.6
114.03715	3.7
115.05463	4.3
118.04088	1.9
119.04926	2.7
119.08531	1.3
120.08095	1.2
123.04422	3.0
124.95218	1.2
128.03410	6.8
129.05475	1.4
133.06493	22.7
143.06032	1.9
147.04384	14.0
147.06334	1.6
149.06041	1.8
157.94064	1.2
160.04190	1.5
161.05962	18.1
162.06354	1.6
165.01884	2.3
167.07014	13.8
174.03966	22.8
178.06174	1.5
181.05019	1.5
182.02873	1.1
183.02895	1.3
191.03421	4.0
193.08585	100.0
194.08983	1.9
219.06570	1.4
228.03210	1.7
237.07539	3.7
241.06123	1.4
246.04404	2.5
280.08035	6.2
329.06641	1.4
339.12283	1.4
369.09741	1.7
382.12820	1.9
400.13940	9.0
400.24374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05019	0.3
56.96557	0.2
57.05815	0.2
57.07065	1.4
58.06585	0.4
61.02895	0.2
67.05496	0.6
69.07059	9.8
69.46085	0.9
70.06582	0.5
70.07384	0.2
73.06536	2.3
73.06921	0.2
79.05479	0.1
81.07046	0.4
83.04971	0.6
83.08608	0.2
84.08147	0.8
86.09695	100.0
87.10011	0.9
88.07624	0.7
88.08105	0.1
93.07043	0.2
102.09164	0.4
107.08559	0.1
109.10116	0.2
112.07597	1.1
118.08673	0.2
121.10182	0.1
125.09579	0.1
131.47105	0.1
132.10039	0.2
137.65871	0.1
158.15353	0.1
168.13829	1.3
186.14868	66.5
187.15231	2.0
214.14349	13.6
215.14648	0.3
232.15236	0.2
257.10495	0.2
299.23132	0.5
301.09457	0.2
313.70340	0.1
314.19601	1.8
338.34082	0.5
370.79663	0.2
399.24023	0.2
399.28540	2.2
400.33173	0.1
400.37830	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	16.4
56.96565	15.8
61.01136	5.6
61.26630	3.2
69.03415	13.2
70.06581	7.4
70.34488	7.1
70.34875	6.9
74.02417	3.9
74.06060	5.7
85.02882	9.3
97.02302	5.7
97.02888	79.6
98.97574	62.7
101.00829	4.2
102.05533	33.7
110.07171	4.9
110.97556	11.1
112.89612	3.3
116.98608	35.0
119.01876	12.9
123.04420	8.9
127.03905	15.5
128.98581	15.0
131.01898	7.2
134.99620	15.9
135.04425	4.9
136.05162	6.2
136.06177	100.0
139.03847	15.7
143.01912	7.1
145.03407	3.8
146.99652	12.2
149.01192	5.2
155.01942	3.5
156.03619	9.9
157.03601	3.7
158.99649	34.5
161.01172	4.1
161.02946	13.6
163.03937	10.7
170.99670	12.3
173.02946	10.8
177.00716	41.3
186.51779	3.8
189.00771	20.1
193.00189	4.2
197.01248	5.9
201.00676	6.6
203.03888	4.6
207.01799	5.5
213.44334	3.4
219.01770	34.7
221.05072	14.1
228.05678	14.8
231.01659	4.6
237.00633	5.3
237.02795	8.2
237.06235	5.9
247.03676	4.0
249.02745	21.9
249.06346	3.2
249.44583	3.6
250.09329	80.3
257.04404	14.1
261.02817	7.4
279.03812	25.6
297.04788	3.4
298.09683	14.9
309.04938	9.3
321.08142	10.1
325.04141	16.3
339.05652	6.5
339.09421	11.0
357.06378	8.1
357.10257	13.5
381.11313	4.3
399.06836	15.1
399.12222	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34329	0.4
54.41265	0.3
56.96560	9.8
57.97346	0.4
69.59219	0.3
70.50393	1.0
71.95248	2.1
94.19611	0.3
96.85251	0.3
98.97567	63.7
99.97912	0.5
107.94008	0.3
116.98605	61.2
130.93234	0.8
134.99638	39.5
140.00175	1.5
147.96481	0.3
153.00676	6.6
158.01266	1.8
172.94327	2.7
174.97667	0.8
177.00836	0.6
190.95381	4.9
192.98694	1.3
197.95232	0.6
208.96454	2.1
214.95384	1.9
216.98691	1.0
219.01945	0.7
230.98474	0.4
232.96443	9.1
233.96947	0.4
234.99840	2.2
250.97522	7.5
256.96408	13.9
258.99759	3.7
259.99844	0.7
261.00009	0.7
261.03009	1.6
274.97479	100.0
275.97794	2.6
276.97882	0.8
277.00818	6.4
278.01010	1.1
279.00800	0.8
282.99991	1.6
284.00168	0.7
285.44550	0.4
292.98520	78.7
293.98895	1.7
294.99112	0.7
297.99036	5.2
298.97681	5.9
299.97787	0.8
301.01028	3.2
302.01022	0.8
303.00937	0.5
310.99521	0.7
316.00085	3.3
316.98779	13.3
317.98837	1.9
334.99872	0.7
356.98404	1.2
374.99222	7.0
375.99249	0.5
393.00272	0.4
398.97610	1.1
416.98508	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.1
56.53760	1.4
56.96559	72.4
59.54528	1.4
59.67452	1.4
61.24982	1.7
69.03424	2.1
70.06586	6.1
71.08611	1.8
71.51912	2.7
71.95245	3.4
72.08156	1.7
74.97602	3.1
76.92379	1.3
80.04105	1.4
81.03374	2.1
83.04976	2.9
84.08130	2.8
84.96024	21.0
85.02892	3.7
85.10180	1.7
89.03928	2.0
97.02880	12.4
97.06512	2.2
98.97573	100.0
99.04578	1.4
102.05555	2.8
102.97053	4.6
107.04942	2.4
110.07156	5.3
110.97557	12.4
112.99104	4.2
116.98607	83.3
117.03329	2.0
124.99014	1.9
127.03862	2.6
128.98589	35.8
131.00157	9.1
134.99640	48.7
136.06157	8.6
139.03889	3.1
140.00206	3.7
140.98578	3.3
143.00145	11.8
144.98064	4.7
145.02849	4.3
146.99641	34.2
147.06413	1.5
149.01176	9.3
153.00688	6.7
158.01241	3.1
158.99623	10.8
161.01195	45.7
162.99152	4.5
163.03894	12.0
165.00726	5.7
169.01735	3.8
170.99641	7.1
173.01234	2.2
176.98593	1.7
176.99054	2.0
177.00720	23.9
177.05446	4.0
179.02271	18.0
182.99664	3.4
184.02823	1.9
187.02757	6.3
189.00635	10.2
194.99696	6.7
195.01569	2.8
200.00012	2.0
201.00661	15.5
207.01811	3.9
212.02657	1.8
213.00685	80.6
218.99774	1.9
219.01730	52.0
231.01743	66.5
236.02257	3.5
237.02786	86.1
242.03297	3.8
250.09326	7.9
255.01613	8.1
255.03999	7.2
256.01776	1.9
260.04492	4.4
261.02835	2.1
267.01883	3.2
269.03391	2.3
273.02820	6.4
279.01630	4.0
279.04224	2.5
281.03256	4.6
285.02792	2.6
291.01611	10.6
297.02805	4.0
299.04370	2.8
300.07007	1.7
309.02655	3.4
321.02808	4.7
327.03860	2.3
339.03815	24.5
357.04849	39.7
375.05969	9.5
380.06403	4.4
381.00632	1.7
396.90137	1.7
399.05975	62.6
417.07098	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	397.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39678	2.8
53.03935	5.6
55.01867	15.1
55.05492	14.0
55.75569	2.9
56.96547	3.0
57.03424	10.3
57.07074	3.8
61.02906	6.5
66.94856	3.0
67.05511	21.6
68.99774	9.4
69.03424	45.5
69.07043	14.2
70.06595	6.1
71.01347	3.7
71.04974	6.4
71.52471	4.9
73.02900	8.1
79.05486	26.7
81.03410	41.4
81.07049	43.3
83.04963	9.4
83.08611	4.9
84.08113	4.4
85.02445	3.7
85.02903	43.4
87.00823	34.5
91.05468	36.2
93.07043	55.8
95.04968	18.3
95.08601	32.7
97.02880	26.0
97.06512	6.9
98.09621	3.1
99.04441	11.1
103.03921	11.8
103.05401	3.7
105.01847	12.1
105.07015	63.4
107.04931	10.6
107.08585	100.0
108.08855	4.1
109.02863	22.4
109.06535	17.9
109.10142	28.2
111.04430	10.5
111.08076	4.3
115.03909	6.3
117.07000	9.3
119.08574	50.9
121.06485	12.4
121.10141	41.5
123.04409	18.5
123.08031	8.1
123.11706	11.1
125.06018	6.5
125.09592	4.3
127.03903	24.1
128.06252	4.1
129.01822	7.0
129.05487	3.4
129.06990	10.4
131.08559	22.1
133.06499	5.6
133.10118	33.6
135.04425	5.9
135.08025	8.6
135.10692	5.6
135.11685	71.6
137.05963	8.8
137.09552	3.4
137.13255	3.9
141.06941	4.3
142.07758	5.0
143.08559	14.6
144.09340	4.6
145.04935	8.4
145.06493	3.7
145.10130	21.2
147.02841	4.8
147.08090	3.8
147.11676	44.8
149.09613	4.5
149.13255	30.5
151.11218	4.3
155.08522	6.7
157.10110	11.8
159.02849	9.6
159.08037	6.7
159.11676	29.2
161.09576	3.9
161.13249	27.8
163.07556	4.9
163.14795	6.6
169.10101	6.9
171.11684	10.1
173.09657	5.2
173.13341	15.0
175.07545	4.0
175.14851	4.8
177.12729	12.4
179.14267	7.0
183.11713	7.3
185.13287	5.7
187.11107	4.1
187.14754	3.9
189.03932	8.9
189.12704	8.2
191.14261	12.8
197.09523	4.2
197.13226	5.7
199.11159	3.8
201.09274	4.0
203.14313	9.7
207.13689	5.2
211.14838	5.3
215.10580	3.6
215.14297	4.1
229.15840	6.4
233.15385	6.1
239.14328	8.7
257.15335	23.5
261.07617	9.6
275.16379	26.9
293.17365	4.7
311.18472	3.7
361.16354	12.8
379.17377	12.7
397.08813	3.5
397.13974	7.4
397.18515	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	395.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.2
57.07075	16.3
60.32365	1.9
67.05487	18.1
69.07059	25.6
69.88371	4.8
69.88775	8.7
71.08620	14.2
76.08252	2.1
79.05483	13.3
81.07043	52.2
83.08611	12.6
84.22103	1.9
85.10171	9.2
91.05471	17.3
91.97012	2.2
93.07039	15.8
95.04902	2.5
95.08597	39.5
97.10152	13.6
100.21432	1.9
105.07014	32.9
105.38366	2.3
107.08595	18.0
109.10155	14.9
111.11690	8.4
117.07009	15.5
119.08583	13.3
121.10109	10.6
123.11688	10.2
125.13232	4.7
129.07022	3.8
131.08522	16.7
133.10106	29.1
135.11656	5.2
137.13280	3.8
143.08536	6.6
144.09344	2.7
145.10115	49.4
147.11664	26.1
147.78351	2.2
149.13208	3.6
151.14824	3.8
157.10046	9.9
159.11670	40.2
161.13252	11.0
163.14781	3.4
171.11678	4.2
173.13211	11.4
175.14816	3.7
185.13231	6.6
187.14796	6.3
199.14833	7.9
201.16380	3.0
203.17764	2.5
213.16360	8.7
227.17731	2.9
241.19450	5.4
247.24184	3.8
255.21027	6.4
297.25577	2.4
395.36664	100.0
396.37167	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	397.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61454	0.9
55.01846	1.1
56.96556	16.4
56.96823	1.8
57.03419	2.7
61.02924	1.9
61.23751	1.1
69.03419	3.6
69.71895	1.0
69.84865	1.9
69.85281	4.0
70.06591	3.3
73.02913	1.3
81.03413	1.4
84.04512	1.8
84.08139	3.1
84.96024	4.5
85.02905	5.0
86.09711	2.2
97.02889	2.9
98.97578	39.9
110.07143	8.7
110.97552	9.7
112.99125	45.7
116.08035	1.1
116.98612	19.2
116.99366	1.8
119.01842	3.5
127.03883	1.7
128.98592	13.1
129.10208	1.8
131.00160	72.7
134.99657	4.0
142.96591	1.1
143.00174	2.6
145.01747	2.5
146.99635	8.4
149.01210	42.2
152.98593	1.1
154.01735	1.9
158.99644	6.9
161.01196	4.8
162.98946	1.1
163.02698	2.4
163.03883	1.6
165.00838	1.3
167.02246	3.4
170.99680	4.7
172.02832	1.4
173.01225	10.2
175.02728	6.5
176.71671	1.0
177.00726	7.5
179.02269	1.2
181.04982	1.9
187.00348	1.5
187.02800	2.6
189.00694	4.5
191.02293	8.8
191.03918	1.7
193.03822	13.7
201.00656	5.4
205.01465	1.9
205.03816	2.9
209.01295	3.1
211.04842	10.8
213.03439	2.4
219.01749	36.1
221.97829	1.1
223.15497	1.7
226.02103	1.3
227.02255	2.2
227.33492	1.1
233.03384	2.8
235.02759	2.3
235.04858	3.0
237.02792	76.8
238.03197	1.3
247.04811	1.8
249.06418	2.0
251.14987	2.0
253.05762	1.2
255.03914	4.5
257.03006	1.2
260.04651	1.8
263.04346	2.9
271.62128	1.3
275.04318	15.5
277.05991	2.5
279.03928	1.8
281.05350	4.5
293.05423	25.3
307.04916	2.2
316.05515	2.8
337.08032	86.1
338.08435	3.9
355.09073	100.0
356.09457	2.8
373.09616	2.0
378.10699	3.1
397.10104	22.4
409.77567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
56.05016	1.4
57.03432	1.6
61.02900	2.0
69.03403	5.6
70.06580	6.6
70.12360	5.5
72.08128	4.3
81.03392	5.5
84.04478	2.6
84.08118	3.6
85.02890	16.4
86.09691	8.5
87.00830	7.8
91.05474	1.5
97.02883	7.5
99.04449	2.6
104.04919	3.4
105.01832	4.6
109.02876	6.7
109.07610	1.8
110.07135	4.4
118.06521	4.1
120.08099	2.3
124.04699	1.3
124.99985	2.5
126.10283	2.6
127.03895	12.3
129.10260	1.8
132.04437	100.0
133.04768	2.5
136.07588	1.5
145.04970	2.1
150.05441	8.6
174.05495	1.6
184.07335	11.8
203.11700	2.0
210.44212	1.4
215.89029	1.3
231.04904	2.0
345.49481	1.5
398.14236	1.8
398.23074	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	395.058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86305	1.3
56.96547	2.5
63.17694	1.5
69.56755	3.2
69.57156	7.8
70.06578	3.4
78.81569	1.4
81.03419	1.5
84.04500	2.5
84.08120	3.2
85.02861	1.4
86.09689	1.9
88.39870	1.3
89.03890	5.5
107.04910	1.8
117.03324	5.8
120.08061	3.6
130.04990	3.1
135.04381	10.7
136.06189	1.4
137.05914	1.4
145.02815	7.6
147.07643	2.7
162.04134	11.1
163.03879	45.8
185.02061	16.5
186.02521	1.7
196.66458	1.7
213.41263	1.4
215.01665	3.5
221.02859	3.4
233.02644	100.0
234.02910	1.7
263.08893	7.7
377.04465	1.7
395.05762	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	395.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21046	3.9
53.03936	4.5
55.05500	13.2
57.03426	32.9
57.07073	6.2
61.02917	7.4
67.05500	81.4
69.07056	13.6
70.12470	10.4
70.12878	16.2
79.05477	47.6
81.07046	78.7
83.08617	6.5
88.50182	4.1
91.05483	26.9
93.07034	64.9
95.08588	54.1
105.07022	22.2
107.08588	43.2
109.10157	23.2
117.05481	100.0
117.06963	8.2
119.08588	15.1
121.10115	25.6
123.11703	19.2
131.08536	14.7
133.10112	12.9
135.11693	23.9
145.10103	20.8
147.11674	10.9
149.13226	14.5
159.11716	12.9
161.13243	9.2
163.14803	7.0
173.13257	14.7
177.16295	5.9
187.14934	7.0
206.51534	4.8
208.52144	5.3
231.36559	5.5
231.66501	4.8
243.21042	13.6
261.22104	87.3
317.24622	11.7
335.25787	18.8
377.26740	14.7
395.27939	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	395.3305
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05505	11.3
57.07066	18.8
67.05482	9.7
68.04759	2.3
69.07063	100.0
69.68290	13.3
70.07321	2.0
71.08617	2.5
79.05449	3.8
81.07042	16.2
82.65557	2.2
83.08609	28.4
85.10218	2.1
91.05468	6.5
93.07035	5.9
95.08616	12.7
98.20737	2.2
105.07006	8.4
107.08595	10.5
109.10141	6.0
119.08542	5.2
121.10125	5.9
123.11654	3.6
125.13254	9.0
129.06960	2.5
131.08582	6.5
133.10088	4.2
135.11636	3.5
137.13260	2.2
143.08588	4.4
145.10100	4.3
147.11693	3.6
155.08487	3.7
157.10095	8.6
159.11641	9.2
169.10107	2.6
171.11626	5.0
173.13229	3.8
183.11723	6.8
185.13245	4.8
187.14854	2.4
195.11711	2.2
197.13220	7.0
199.14764	8.8
201.16292	3.4
209.13197	4.7
211.14789	9.0
213.16270	10.2
223.14716	2.8
225.16400	5.6
227.17802	3.2
231.17691	2.3
237.16406	3.8
251.17891	12.9
253.19522	4.3
255.21249	3.9
269.18988	5.1
293.22595	8.5
307.24130	6.9
311.23553	5.8
354.20844	3.2
377.32043	11.5
395.32596	23.0
395.36926	9.4
396.33066	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	394.2334
Annotation	Tyr Leu Val
Peak:m/z	Relative Intensity
55.05502	1.3
57.03403	0.5
58.06556	0.5
59.61164	0.5
67.05494	0.7
69.03417	1.2
69.07041	0.5
70.06598	3.2
71.52520	0.9
72.08143	7.1
81.03384	0.6
81.07044	0.8
84.04482	1.4
84.08115	1.1
85.02889	1.4
86.09698	45.4
91.05476	8.8
92.61673	0.5
95.04944	0.8
97.02898	0.8
99.96169	0.5
102.05527	1.1
107.04949	1.0
107.08617	0.5
108.85316	0.5
109.02888	0.6
109.06519	0.6
110.07131	0.6
116.07088	0.9
118.08633	1.7
119.04935	10.0
120.08096	7.2
121.06509	1.3
127.03926	1.1
136.07565	100.0
137.07915	1.3
146.11757	0.9
147.04370	1.2
183.11211	0.6
187.07863	0.5
217.09029	0.6
233.16512	0.6
235.14415	1.9
243.06548	0.6
243.81451	0.5
249.15970	39.6
250.16235	0.6
263.13797	0.6
277.00748	0.5
277.15445	9.4
281.14951	10.2
295.16409	0.5
322.23682	0.6
324.27988	0.6
395.07492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05494	1.2
60.04520	6.5
62.75025	0.8
67.05480	1.5
69.03410	1.3
69.07058	1.6
70.02941	1.6
70.06585	2.6
70.42947	2.6
71.04979	0.9
72.08140	1.0
73.02901	3.7
79.05492	1.5
80.05013	1.0
81.03417	1.0
81.07048	1.7
84.08121	2.1
85.02911	1.1
85.04007	1.5
86.09696	67.5
88.03983	11.5
91.05476	2.3
93.07025	1.6
95.06113	1.2
95.08599	1.4
96.04487	1.3
96.08115	4.8
98.02411	3.5
100.03969	4.2
103.05466	2.5
105.07016	1.4
107.04951	3.6
109.06501	1.0
109.10161	1.0
110.07147	1.9
111.15693	0.9
113.10777	2.7
120.08093	42.5
121.08443	1.3
123.04389	1.9
127.04951	0.8
130.06508	1.9
138.09163	5.4
141.10210	11.8
142.08578	1.3
147.04427	2.3
148.09535	1.0
149.05960	0.9
150.60738	0.8
155.11696	1.5
156.10187	11.5
156.11346	1.2
166.08620	17.9
172.07442	1.0
183.11276	7.0
184.09666	3.1
185.10770	1.0
191.08246	2.0
192.08447	1.5
197.05972	0.9
201.12321	100.0
202.12534	2.2
229.11845	15.7
235.10760	2.7
243.06575	2.9
279.17004	1.2
288.05740	1.0
302.45682	0.9
358.29593	1.3
372.22034	1.9
372.72241	0.9
376.30667	1.8
381.35104	0.9
394.14511	4.9
394.31259	5.7
395.11154	2.2
419.27386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.4
67.05490	18.4
68.19077	8.4
69.03419	12.7
69.07044	11.9
69.38612	86.5
70.06567	24.6
72.08145	10.3
77.75832	9.0
81.03411	17.2
81.07046	35.8
84.08128	14.6
85.02930	13.3
86.09704	30.3
87.55489	8.7
91.05463	27.2
93.07065	11.0
95.04923	11.3
95.08593	16.3
97.02863	13.5
97.06519	13.4
98.21535	19.3
99.04440	15.1
107.04921	8.4
107.08545	10.2
109.06519	14.0
118.53894	10.1
119.04919	15.1
120.08081	23.8
123.00811	13.5
123.11690	53.5
124.01102	11.7
143.08495	8.7
144.24837	9.5
151.11182	16.5
169.01308	24.8
169.12199	11.9
170.01634	17.6
175.03899	10.9
176.04413	12.0
179.10623	19.9
180.10091	10.4
197.11707	33.6
207.06525	15.6
208.06920	20.7
215.12721	100.0
394.34995	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	393.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	37.0
56.05834	3.8
57.07064	24.4
67.05495	18.8
69.07058	39.2
69.14944	3.2
69.60495	25.2
71.08627	18.2
79.05477	15.2
81.07042	64.7
83.08609	100.0
85.10181	7.6
91.05470	16.8
93.07029	19.9
95.08603	23.1
97.10155	13.8
105.07010	23.2
107.08590	22.0
109.10142	11.7
111.18433	4.3
117.06998	6.0
119.08560	13.7
123.11698	7.2
129.07004	4.3
131.08546	11.7
133.10109	14.3
135.11684	3.9
143.08528	4.4
145.10135	26.8
147.11668	15.1
149.13239	7.8
155.08504	3.7
157.10088	28.5
159.11649	19.0
161.13208	7.6
163.14816	6.0
169.10104	6.3
171.11655	6.2
173.13246	8.9
183.11710	9.5
185.13228	9.1
187.14864	4.0
189.16521	3.8
197.13239	4.7
198.22639	3.2
199.14825	9.5
199.82127	3.4
201.16365	9.1
211.14719	8.1
213.16476	5.6
225.16412	5.1
239.17926	11.6
253.19437	10.4
295.24280	18.8
298.50247	3.9
309.25775	8.7
393.35098	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24420	4.1
55.05515	23.5
57.07066	19.5
62.78145	4.5
67.05488	18.2
69.07058	36.2
71.08632	8.0
71.53589	7.6
71.53970	5.8
77.25143	5.7
79.05479	14.3
80.42246	3.8
81.07047	65.8
83.08613	34.4
85.10148	4.8
91.05487	19.1
93.07036	19.7
95.08595	29.5
97.10136	8.5
103.85642	4.4
105.07015	21.9
107.08604	21.7
109.10136	23.2
111.11687	10.2
117.06985	9.6
119.08566	17.1
121.10120	10.4
123.11739	11.2
129.06960	5.3
131.08556	11.8
133.10135	19.9
135.11726	9.4
137.13226	10.6
142.07703	5.1
143.08578	15.6
145.10098	31.8
147.11688	18.5
148.48782	4.8
149.13268	9.1
155.08533	6.3
155.81123	4.3
155.96455	4.8
157.10126	46.3
159.11688	32.6
161.13283	11.0
169.10138	4.3
171.11656	6.5
173.13251	14.7
185.13211	7.2
199.14752	7.4
211.14694	6.3
227.17746	5.1
253.19588	5.7
255.21121	6.2
393.30634	7.7
393.35184	100.0
394.35361	6.1
402.43225	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.05500	26.6
57.07069	43.7
66.28126	4.0
66.91958	4.0
67.05500	38.5
69.03407	4.7
69.07059	33.0
71.08616	22.4
71.26350	8.0
71.26738	8.9
72.81187	3.5
79.05487	42.1
81.03387	5.5
81.07043	60.6
83.08604	18.3
85.06532	6.7
85.10146	13.9
91.05472	56.2
93.06478	7.6
93.07034	92.4
93.66934	4.3
95.04962	60.9
95.08595	82.9
97.06525	8.4
97.10123	7.6
98.98446	53.9
103.05433	5.7
105.07021	100.0
107.08584	62.2
109.06516	23.1
109.10138	37.9
117.06989	29.1
119.08567	92.3
121.06495	28.7
121.10114	30.6
123.08075	6.8
123.11691	15.1
123.97272	4.5
125.09531	4.1
128.06184	13.2
129.06987	20.3
130.07755	10.1
131.08562	43.1
133.10130	56.1
135.08058	11.2
135.11670	23.6
141.07004	6.1
142.07750	26.8
143.08545	37.9
144.09280	13.3
145.06439	5.7
145.10106	65.9
147.11696	26.1
149.09625	7.4
153.06993	4.6
154.07724	4.9
155.01019	88.3
155.08543	9.6
156.09268	7.2
157.10126	55.3
158.10863	5.2
159.08028	6.0
159.11674	51.3
161.09602	15.9
167.08554	8.5
168.09253	5.9
169.10126	19.1
170.10847	8.8
171.11670	23.7
173.09613	6.4
173.13249	18.3
175.11151	12.7
175.14775	21.1
179.64366	4.3
181.10065	16.2
182.10846	5.3
183.11650	22.3
185.13217	16.6
187.11206	7.8
187.14769	8.2
193.10030	8.2
194.10895	6.5
195.11646	14.0
197.13208	16.5
199.14838	9.1
201.12700	4.7
201.16354	8.3
207.11708	4.9
209.13214	14.7
211.14769	11.3
221.13147	7.1
223.14725	5.6
225.16301	10.8
239.23582	6.0
251.17929	4.3
253.15889	5.5
265.19623	4.8
361.27252	13.3
375.26450	5.4
393.27457	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	394.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	16.0
56.05028	6.1
57.07032	3.6
58.99569	9.9
61.13841	3.6
62.99061	13.5
67.05493	7.2
68.58323	3.2
69.07065	78.5
70.06597	6.7
72.08118	3.9
74.00674	19.5
76.04025	3.8
83.04932	4.4
83.06086	8.1
84.04504	65.4
84.08144	6.1
86.99068	9.3
88.02182	10.2
91.05458	4.7
93.07053	8.3
98.20672	6.5
101.04247	21.6
107.04854	4.3
107.66508	3.9
109.02886	4.5
111.04411	5.6
112.03981	18.0
116.01669	46.3
117.03684	15.9
119.05280	36.0
120.08096	12.9
127.05767	6.5
129.06595	12.2
129.10059	3.8
130.04985	59.3
131.58076	3.4
138.85994	3.9
144.01129	29.4
145.06834	29.7
145.56825	4.0
147.04401	5.1
158.78114	4.2
162.02187	84.1
162.09453	10.6
163.03842	7.4
174.02135	3.9
174.99075	4.6
177.03333	5.4
191.07335	3.9
202.05016	9.1
230.08475	46.7
247.11351	4.1
248.09496	100.0
265.12155	33.5
319.13306	26.6
327.96558	4.0
334.79465	3.7
394.16156	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	393.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88820	0.9
55.05498	5.6
57.03420	3.7
57.07066	34.3
65.03947	0.8
67.05492	12.7
69.07056	7.8
70.56389	1.0
70.56733	3.2
70.92053	0.9
71.08237	1.6
71.08618	25.7
79.05492	2.2
81.07047	19.9
83.08602	10.0
85.10172	14.2
86.09702	2.4
91.05413	1.2
93.07019	2.8
95.04939	1.5
95.08595	25.1
95.51456	0.8
97.10149	5.6
98.98450	59.0
105.07023	2.8
107.08608	2.2
109.10124	10.8
111.11687	1.9
116.99496	2.1
119.08587	2.4
123.11674	6.7
133.10115	2.4
137.13251	2.2
143.08627	0.8
151.14816	1.4
155.01015	100.0
157.10112	3.6
159.11710	1.7
196.03647	1.5
227.92209	0.9
239.23659	7.0
262.82248	0.8
294.04892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.05499	23.3
57.03421	5.0
57.07064	30.6
65.03935	4.1
67.05499	37.7
69.03416	3.1
69.07057	26.3
69.41909	5.0
69.42317	12.4
71.08617	16.5
79.05485	40.1
81.07043	67.7
83.04968	5.7
83.08597	15.1
85.06573	2.5
85.10162	7.0
91.05468	62.8
93.07028	79.4
95.04957	55.7
95.07989	3.3
95.08594	64.1
97.06535	8.4
97.10146	4.2
98.20789	4.4
98.98458	31.9
103.05485	3.7
105.07018	100.0
106.07335	2.9
107.08585	52.1
109.06508	18.1
109.10138	37.5
111.08080	2.8
113.00020	6.2
115.05457	6.8
117.07014	24.2
119.07700	4.5
119.08564	94.4
121.06485	20.2
121.10136	36.9
123.08067	4.5
123.11720	12.5
128.06215	10.8
129.07016	19.8
130.07791	8.2
131.08553	45.4
132.09169	2.2
133.06468	2.3
133.10109	50.5
135.08028	6.8
135.11679	15.3
137.09612	5.2
137.13174	2.8
139.11104	2.2
141.06990	7.7
142.07776	27.6
143.08540	33.1
144.09338	12.4
145.06496	4.8
145.10104	63.3
147.08017	5.6
147.11681	26.0
149.09570	3.3
149.13264	4.5
153.06960	4.4
154.07716	2.3
154.99777	2.8
155.01012	53.7
155.08560	14.4
156.09308	14.0
157.10118	58.0
158.10835	7.7
159.08023	3.1
159.11668	47.8
160.12051	2.4
161.09601	14.7
161.13249	9.4
163.11235	4.2
165.06961	3.8
166.07703	2.6
167.08559	8.0
168.09348	5.7
169.02585	5.5
169.10103	23.8
170.10869	7.5
171.11642	27.3
172.12456	3.4
173.09630	3.6
173.13246	24.4
175.11163	9.8
175.14816	14.2
179.08536	6.5
180.09366	2.8
181.10097	7.4
182.10919	6.8
183.11644	21.4
184.12352	3.8
185.13194	14.7
186.13884	2.7
187.11130	6.9
187.14780	10.1
193.10072	5.9
194.10837	7.0
195.11674	13.8
196.12399	3.4
197.13225	15.5
199.14819	7.0
201.12723	2.6
201.16364	8.6
206.10857	4.1
207.11621	6.6
208.12473	5.2
209.13220	14.2
210.13937	3.5
211.14850	13.4
213.16429	5.5
219.11676	2.5
219.17447	5.3
221.13168	5.1
223.14778	5.9
225.12813	2.2
225.16405	5.0
235.14818	5.9
237.16466	3.1
239.14235	3.3
239.23666	4.6
253.15916	6.3
253.19479	3.9
265.19437	4.0
271.20374	2.4
283.20361	2.3
331.73062	2.3
375.26868	7.4
393.27640	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	393.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.05487	7.1
60.52107	3.8
61.02901	5.6
63.18841	3.8
69.03417	13.5
69.07041	9.1
69.82813	12.3
69.83225	12.0
70.06603	6.6
73.02938	5.0
73.82266	3.7
79.05507	7.8
81.03401	14.2
81.07053	7.8
83.04995	5.7
84.08128	6.9
84.12441	4.1
85.02888	16.4
86.09692	12.9
87.53269	4.9
91.05474	38.0
93.07000	8.4
95.01289	5.6
95.04939	6.0
97.02888	11.2
99.04453	5.5
101.50029	4.0
105.07025	8.1
107.04957	4.6
109.02862	13.1
109.06454	5.0
119.04923	46.4
119.08527	5.1
120.08099	10.7
121.10109	4.7
123.00778	77.2
123.08010	5.1
127.03908	16.4
133.10135	5.6
137.05991	6.5
141.01810	28.6
147.04390	42.3
149.02316	9.8
167.56989	5.2
169.01299	81.8
175.03889	53.5
196.51175	4.1
207.06503	100.0
207.09654	4.7
224.06773	30.2
255.10158	5.0
261.11227	12.5
315.12115	6.3
375.14117	6.5
393.18600	6.1
412.36319	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	391.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35621	0.4
55.05508	0.6
57.07067	0.8
67.05486	0.7
70.06576	0.5
70.78081	0.9
70.78435	0.6
71.08602	0.5
81.07057	0.9
84.37154	0.3
86.06052	0.4
88.63140	0.4
93.07009	0.8
105.06970	0.4
107.08568	0.5
149.02330	2.7
171.40266	0.4
185.56313	0.4
193.32573	0.4
329.32538	0.9
391.24490	100.0
392.24725	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	393.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03918	0.8
61.02921	1.1
61.04162	0.8
64.05911	0.8
65.03928	3.0
67.05499	0.9
68.99791	1.2
69.03426	3.8
69.07047	1.6
70.06578	1.4
70.71358	1.2
71.04975	1.3
79.01834	1.2
79.05482	1.6
81.03402	2.8
81.07024	0.9
84.08112	1.4
85.02889	2.8
86.09686	3.1
89.03905	1.1
91.05472	38.1
93.07002	1.2
95.01321	10.0
95.08598	0.7
97.02881	2.4
97.06503	1.1
99.04424	1.5
103.05435	1.5
105.03365	1.3
105.06978	1.1
107.04926	1.9
107.08608	0.8
109.02855	2.1
119.04927	45.2
120.05264	0.8
120.08102	3.3
121.02830	1.3
123.00775	77.9
125.02315	1.0
127.03893	1.9
131.04889	0.8
131.08600	1.2
132.02032	2.5
135.04388	2.2
136.05153	1.2
136.12064	0.8
141.01805	27.1
143.08585	0.8
145.10141	1.0
147.04388	37.6
148.04750	0.9
149.02315	3.2
157.03935	5.0
157.10078	0.9
159.02928	1.2
159.11639	0.8
163.03876	1.9
164.04697	1.2
169.01308	76.8
170.01733	0.8
175.03886	62.3
176.04396	1.2
179.07036	2.9
180.07765	1.0
181.04935	2.4
197.06004	0.9
206.05557	1.3
207.06503	100.0
208.06830	2.1
209.04347	3.7
217.04788	1.3
224.06770	33.3
225.07234	1.2
233.16293	0.8
243.06575	0.8
257.07889	0.8
261.11270	0.7
271.06046	0.7
271.96182	0.8
290.83429	0.8
301.07019	0.9
303.08575	0.9
329.06485	2.0
347.07535	1.1
393.08838	1.3
393.18463	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	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11486	2.3
57.65779	3.3
59.32339	2.4
69.03413	4.2
70.06570	9.5
70.87765	7.8
72.08140	5.8
72.54742	2.6
77.03915	2.4
79.05472	4.9
81.07024	3.1
84.08120	6.9
85.02901	7.2
86.09703	15.2
87.10057	2.9
91.05470	5.4
95.04973	3.4
97.02901	2.6
100.03963	2.8
103.05421	4.3
105.03381	100.0
105.07026	31.0
106.03738	3.8
107.04958	4.4
114.05590	2.9
115.05449	5.2
116.07159	2.5
117.10158	2.8
120.08138	5.1
123.04418	8.3
124.07617	3.2
126.18777	2.7
127.03886	4.3
133.06488	29.0
136.07568	3.0
141.01787	6.1
146.99367	3.2
161.05980	44.1
179.07024	30.6
193.08588	32.2
197.08055	23.8
228.06329	7.4
238.10704	3.1
245.04472	3.9
363.08716	5.1
390.11469	11.0
390.15253	4.8
391.08032	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	390.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01860	0.4
61.02867	0.3
63.72134	0.2
69.03426	0.7
70.06598	1.2
71.36769	0.4
72.08117	1.1
73.08485	0.2
79.05492	1.1
81.03413	1.1
84.04509	1.2
84.08124	0.7
85.02895	2.8
86.09696	2.7
87.00824	0.7
87.10039	0.4
88.03990	0.3
95.04977	1.4
97.02890	1.1
99.04442	0.4
102.05545	0.6
105.01867	1.4
107.04945	100.0
108.04529	0.4
108.05252	1.8
109.02857	0.7
110.18295	0.2
119.04968	0.3
120.08108	0.5
123.04430	0.3
124.07620	0.4
127.03894	2.6
129.10243	0.4
130.05022	0.2
136.07594	0.2
137.06001	0.3
139.03845	0.3
143.03401	0.7
145.04909	1.4
147.11261	0.3
148.06033	0.8
149.02400	0.3
149.06013	0.4
159.02899	0.3
161.06006	0.4
163.03923	0.5
165.09067	0.5
167.07053	0.4
193.04947	0.3
193.08641	0.3
215.13930	0.6
216.12329	0.3
228.09882	0.3
231.05000	1.1
235.16350	0.2
248.07599	0.4
249.05972	0.6
259.06055	1.0
284.09796	0.7
313.06952	0.4
334.12271	0.2
355.08029	0.3
390.17947	0.4
391.07974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
55.01861	11.5
55.05470	1.1
57.03432	6.8
60.04503	1.8
60.39715	0.9
61.02924	9.4
68.99782	4.6
69.03419	34.1
70.06576	3.3
71.04983	7.6
71.06457	2.5
72.08158	1.4
73.02910	11.2
75.21722	1.0
80.05009	1.1
81.02924	2.0
81.03405	37.0
82.03723	1.5
84.04491	2.7
84.08144	2.0
85.02892	100.0
86.03222	1.0
86.09703	4.9
87.00816	38.3
87.01352	2.0
91.03946	3.8
91.05475	2.8
95.04961	1.0
97.02875	45.2
98.06021	1.3
99.04433	21.8
100.03920	0.9
101.02370	1.2
105.01849	37.7
107.04932	2.2
108.04459	12.3
109.02858	42.0
110.03178	1.0
110.07101	1.1
115.03929	1.6
117.01852	4.1
119.04908	1.5
120.08084	2.1
126.05524	5.4
127.03897	87.6
128.04227	1.4
129.01819	4.6
130.04991	1.0
131.08565	0.9
144.06549	1.1
145.03780	2.2
145.04936	47.1
147.02884	3.6
147.04379	2.5
147.08057	1.6
148.04840	1.0
149.05923	2.6
151.03923	1.6
153.01799	4.5
159.02869	32.9
167.07047	2.7
177.03990	1.9
177.05402	2.3
189.03967	2.1
191.07104	1.9
195.02878	0.9
208.37682	0.9
213.03943	3.7
215.07057	1.1
221.98549	8.6
230.06584	2.5
231.04956	17.7
233.08018	4.8
239.99538	1.9
244.03732	1.9
245.04385	2.9
248.07741	4.4
249.06091	1.5
296.85785	1.0
299.97119	1.0
390.02747	16.8
390.19016	1.5
391.03317	1.7
391.08054	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	388.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.7
67.05495	0.8
69.03426	1.1
69.07064	1.6
70.06581	1.9
71.52526	0.8
72.08164	0.9
79.05482	1.3
81.03419	1.1
81.07050	1.4
83.04933	0.6
84.04494	23.0
85.02903	1.4
86.06024	0.5
86.09696	100.0
87.10019	1.7
91.05490	1.3
93.07028	1.2
95.04953	1.3
95.06986	0.5
96.04501	1.0
97.02882	1.0
102.05534	12.9
105.07018	0.5
107.04938	0.9
107.08656	0.5
109.10110	0.8
110.06052	0.8
113.07107	1.2
119.08562	0.6
121.06472	1.3
123.04440	2.2
127.03870	0.9
129.06580	4.6
131.04945	0.6
133.10091	0.6
135.04420	1.5
137.05959	4.3
138.06250	2.5
139.03915	3.1
140.04248	1.2
141.06534	3.3
144.13705	0.5
146.11745	47.8
147.04430	0.5
147.12007	0.5
151.03941	1.3
152.10721	2.9
153.05360	0.9
156.43282	0.6
163.03914	1.7
164.04277	0.6
167.07057	1.2
168.07494	0.9
170.11754	3.5
175.07622	0.6
181.05008	1.6
182.05278	0.9
189.05431	0.6
193.08682	0.6
196.39082	0.6
197.12828	14.8
205.04793	0.5
208.06972	0.6
210.15096	0.5
215.13893	29.9
216.14288	0.9
217.04922	0.9
220.10406	0.7
225.12331	6.1
243.13362	8.9
259.20105	2.4
273.02188	0.8
274.08035	0.7
314.10989	0.6
338.20517	0.8
344.11835	0.7
358.13641	1.2
388.14804	2.4
389.12204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05496	3.5
57.07064	2.5
58.10329	0.7
67.05495	6.3
69.03405	2.0
69.07056	2.5
71.02365	2.1
71.08617	3.3
79.05476	4.9
81.07050	15.2
85.10144	1.2
91.05457	6.4
93.07028	6.3
95.08597	11.9
97.06503	1.4
98.56699	0.8
105.07017	12.3
107.08581	20.3
109.06504	6.6
109.10140	5.4
109.71279	0.8
111.08064	4.2
117.06975	1.0
119.08562	11.7
121.06479	5.2
121.10155	5.2
123.08060	7.2
128.06190	4.2
129.06970	3.8
131.08577	2.9
133.06491	1.9
133.10115	14.5
135.08032	13.8
137.09622	2.4
142.07767	2.6
143.08540	14.8
144.09277	1.0
145.06505	2.4
145.10109	4.0
146.07240	2.4
147.08032	10.5
147.11649	3.9
148.08855	2.1
149.09593	4.6
155.14336	1.1
156.09300	1.8
157.10146	5.5
159.11693	3.3
160.08823	5.1
161.09602	30.1
161.13287	1.0
162.10341	6.2
171.11668	4.3
173.09633	1.1
173.13287	1.7
174.10339	1.1
175.11179	7.8
175.14783	1.7
184.12540	1.0
189.12711	20.0
189.16403	2.0
190.13136	0.9
199.14789	2.8
217.15860	61.8
217.44678	1.0
218.16191	3.1
389.30453	100.0
390.30643	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01853	1.2
67.05482	0.7
69.03429	4.0
69.90152	3.9
70.06577	1.3
71.04991	1.0
72.08161	1.0
73.02901	0.7
75.04477	1.2
78.33634	0.6
79.05486	3.7
81.03407	2.2
81.07048	1.9
84.08112	1.2
85.02898	8.7
86.09695	2.9
87.00825	4.2
91.05486	1.5
93.07038	5.3
95.04958	2.1
95.08598	1.1
97.02890	7.2
97.06533	0.9
99.04452	1.0
101.67574	0.6
103.05460	2.6
105.01858	10.1
105.07021	100.0
106.07349	1.6
107.04962	0.7
107.08497	0.7
109.02866	3.2
113.02338	0.7
119.08527	0.7
121.10169	3.5
123.00797	1.7
123.04379	0.8
127.03895	10.1
137.05972	1.8
139.03915	3.3
140.04248	2.1
141.01845	1.2
144.01231	0.7
145.04950	5.7
147.08008	0.8
149.09608	1.2
151.03906	2.3
157.19531	0.7
159.02899	1.0
163.03865	1.6
164.04230	1.2
167.07019	0.9
167.10655	2.1
169.01312	1.0
177.05434	1.0
182.05377	0.9
195.07907	0.8
213.09114	1.0
219.10216	0.7
220.10429	1.6
231.04932	3.5
249.06013	1.9
339.09515	0.7
388.14716	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	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01869	1.0
57.03411	0.7
60.04508	1.1
67.03106	0.6
67.05490	0.8
69.03413	3.1
69.07056	2.3
70.06582	4.3
71.04970	0.7
71.51990	0.5
71.52475	1.0
72.08147	0.6
72.65366	0.6
73.02890	0.9
79.05487	7.4
79.05926	0.9
81.03417	3.4
81.05795	0.9
83.04929	0.8
84.04491	1.2
84.08144	1.3
85.02898	9.3
86.09696	4.1
87.00804	2.9
91.05456	1.0
95.04949	2.5
96.08115	2.0
97.02884	3.9
97.06535	0.9
98.47923	0.6
99.04432	1.6
100.07617	0.7
103.03951	0.9
105.01846	3.4
107.04943	100.0
108.05276	1.2
109.02890	2.8
110.07161	0.6
111.04417	0.9
116.07073	1.1
118.66510	0.5
119.04948	0.7
120.08124	1.5
121.02895	1.6
121.06482	1.4
123.04394	3.0
124.07574	15.3
125.02345	1.0
127.03901	6.8
129.01888	0.6
129.10243	0.7
131.04904	0.6
139.03917	4.5
142.08549	0.6
143.03343	0.9
145.04942	3.1
147.02821	0.8
147.04379	1.4
149.05995	1.9
151.03912	1.4
153.05443	0.8
159.02914	1.0
161.06035	1.0
161.62906	0.6
165.05579	0.8
181.04901	0.8
184.09732	1.3
189.03954	1.1
191.07077	1.0
193.05077	0.7
203.07138	0.6
208.09814	0.7
211.09697	0.8
215.07091	1.4
222.11177	0.8
227.59297	0.6
229.03368	0.7
230.13150	0.7
231.04895	3.0
236.16415	0.9
238.10786	2.5
245.04463	1.3
249.06024	1.3
250.10838	1.5
284.09714	1.4
359.79123	0.6
390.17862	0.8
391.08047	3.3
405.05237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01866	7.5
57.03430	6.2
59.05001	0.9
60.40913	0.9
61.02919	7.2
68.14101	0.8
68.99770	3.9
69.03422	34.1
70.79361	2.5
71.04983	3.2
73.02902	6.9
77.03944	0.9
81.03410	23.6
85.02895	100.0
86.03257	1.3
87.00819	37.2
87.01356	1.9
91.03923	2.2
91.19487	1.1
97.02882	28.7
99.04444	15.6
101.02370	1.0
105.01856	59.0
105.07029	12.9
108.04467	2.4
109.02859	26.2
115.03950	1.1
117.01875	2.6
127.03903	69.4
129.01837	3.8
139.03926	1.5
142.97005	0.9
145.04939	34.5
146.05319	0.9
147.02899	2.8
153.01793	1.1
159.02869	17.1
171.02968	1.5
189.03850	4.4
212.32130	1.1
213.03954	3.4
213.09100	1.7
230.06628	1.3
231.04967	21.7
231.10187	1.4
248.07712	2.1
249.06035	6.3
258.86032	0.9
266.08786	1.0
300.05765	1.7
312.05832	1.8
313.03342	1.2
314.03690	2.8
315.04999	2.8
316.05301	10.4
370.10001	2.6
388.10867	4.2
388.15436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32853	0.4
53.03933	1.6
55.01851	1.4
55.05501	0.4
57.03416	0.8
58.13642	0.4
61.02912	0.5
67.05502	0.5
68.99784	0.5
69.03416	3.6
70.06584	0.9
71.04971	0.7
71.52576	0.7
73.02901	1.3
79.05488	3.2
81.03412	3.4
81.07055	0.7
82.66908	0.4
84.04492	0.6
85.02901	12.7
86.09688	1.1
87.00834	3.6
87.04465	0.6
91.05476	0.9
93.07046	0.6
94.79665	0.5
95.04961	1.0
95.08605	0.5
97.02887	4.1
97.48386	0.4
99.04454	1.5
103.05436	2.1
104.07085	0.6
105.01864	5.4
105.07022	100.0
106.07340	1.8
108.04485	1.2
109.02870	3.9
110.07170	0.7
115.03924	0.7
115.97311	0.4
119.08587	3.2
122.16773	0.4
123.04425	0.8
125.02302	0.5
126.05471	0.7
127.03918	7.1
128.06160	0.6
131.08598	0.8
135.04388	0.5
137.05968	0.5
139.03896	3.9
140.04257	1.3
143.03395	1.3
143.08546	1.5
145.04935	3.1
145.06531	0.5
147.08037	1.8
147.85809	0.6
151.03897	1.8
157.10141	1.2
159.02916	1.6
159.08080	1.3
163.03946	0.7
165.01811	0.6
167.08502	0.7
171.08044	1.4
183.03027	0.5
185.09618	0.7
189.03940	1.6
189.09137	1.2
195.08092	1.5
213.09134	1.8
220.10397	0.5
225.06519	0.5
231.05064	2.6
231.10127	1.2
296.06326	0.4
318.59024	0.5
335.11176	0.6
370.10034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01881	2.7
55.05505	2.8
55.68318	2.1
57.03426	4.0
60.04519	7.1
61.02916	2.7
65.03931	2.7
67.05492	6.4
69.03423	13.0
69.07061	2.0
70.06580	12.7
71.04991	3.2
71.52279	2.4
71.52625	2.5
72.08134	4.3
79.05481	7.6
81.03394	9.6
81.07042	8.4
83.04961	2.9
84.04501	3.5
84.08123	4.5
85.02898	30.1
86.09695	19.7
91.05492	11.0
93.07016	5.0
94.06544	6.0
95.04943	6.3
95.08616	4.4
97.02876	7.2
103.05449	2.4
105.07024	10.9
106.06500	2.6
107.04947	14.6
107.08576	4.9
109.02863	6.6
109.06494	3.6
109.10090	2.1
119.04929	2.9
119.08564	3.7
120.08096	4.0
121.06504	5.1
121.10151	5.5
122.06011	25.9
123.04410	55.1
123.08046	16.4
127.03902	7.6
131.04901	2.9
132.04456	4.2
133.02858	2.5
133.06494	3.3
133.10092	5.3
134.05966	2.6
135.04402	36.0
135.05391	2.6
135.08006	2.5
135.11595	2.2
136.03967	4.0
136.05118	2.4
137.02324	6.6
137.05960	42.2
139.03879	33.4
145.04918	7.3
145.10228	2.7
147.04376	18.7
147.11661	6.1
149.05925	5.1
150.05489	100.0
150.06702	4.8
151.03891	40.9
151.06265	76.0
151.07523	19.5
151.11186	2.7
152.04659	3.3
152.07050	78.8
153.05458	3.3
154.08582	2.4
156.05779	2.3
157.46388	2.3
161.06012	2.4
163.03879	18.1
163.11151	22.9
165.05513	2.0
165.12733	2.9
167.07057	8.9
167.08517	3.3
177.05498	6.1
179.03378	6.9
181.05000	14.3
181.12196	8.8
189.12711	8.1
191.06973	3.4
192.06531	73.7
193.07327	38.0
194.08130	43.8
195.06471	2.9
195.08070	5.9
196.09685	6.4
197.04469	5.1
205.04921	3.6
205.06633	3.6
205.08536	2.9
206.08093	9.5
207.13773	51.6
217.08626	2.6
219.08142	5.5
219.10097	23.4
221.05998	2.8
223.07538	6.0
225.14832	5.2
234.06792	3.4
235.07463	5.1
241.08582	6.5
247.07515	6.0
248.08263	2.9
249.09048	3.0
249.11212	3.4
251.06929	2.7
263.07092	6.0
264.07794	4.9
265.08594	3.5
269.08054	46.5
277.08667	4.1
277.11749	2.8
279.10065	7.4
281.11890	2.2
286.10690	12.6
291.10168	2.6
293.08115	2.7
295.09705	3.4
301.06970	4.2
307.09668	8.2
309.10962	3.9
311.09061	3.1
315.08746	4.6
319.08060	3.4
323.09167	3.6
326.11111	2.8
328.11786	33.0
339.11893	3.2
345.14386	6.2
357.13257	5.2
369.13150	16.2
387.14401	26.0
387.20038	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	387.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.6
55.05492	1.7
57.03408	4.4
60.04520	4.9
61.02914	4.4
65.03929	2.7
67.05490	5.1
69.03419	12.5
69.07063	3.0
69.81131	11.7
70.06594	8.4
71.04958	3.1
72.04532	1.8
72.08142	4.8
73.02903	2.7
79.05485	6.7
80.05060	1.8
81.03400	5.9
81.07037	4.8
83.04972	2.7
84.08130	4.4
85.02895	31.5
85.06536	1.9
86.09708	11.0
87.04443	3.7
91.05455	9.3
93.03419	1.7
93.07019	2.8
94.06552	7.0
95.04961	5.7
95.08601	4.8
97.02885	12.8
97.06474	2.5
99.04443	3.2
103.05465	2.2
105.07002	7.4
106.06522	1.9
107.04926	10.9
107.08570	5.9
109.02861	3.4
109.06519	2.4
109.10117	3.0
111.04443	2.2
111.08064	1.9
119.04909	2.4
119.08582	6.4
120.08139	3.1
121.06502	4.0
121.10109	5.4
122.03633	2.6
122.06003	19.5
123.04411	45.2
123.08052	21.7
125.05981	3.0
127.03900	8.9
131.04872	3.4
132.04491	3.4
133.02864	4.5
133.10091	5.4
134.06052	4.0
135.04396	29.1
135.07988	4.0
137.02321	8.8
137.05946	51.3
139.03867	21.4
143.84692	1.8
145.04945	11.7
145.10135	5.4
147.04390	15.2
147.11656	4.7
149.05939	2.0
149.09660	2.9
150.05482	100.0
151.03893	22.9
151.06261	75.2
151.07530	33.2
151.08673	2.6
152.04666	2.4
152.07043	66.8
153.05415	2.0
157.13301	2.1
161.05991	2.3
161.13167	1.8
163.03897	10.5
163.11162	30.1
165.12839	2.1
167.07008	6.9
167.08357	2.5
175.07571	2.5
177.05457	3.0
178.07657	1.9
181.04938	12.2
181.12224	11.8
189.12701	9.1
191.07086	3.3
192.06532	66.8
193.07317	37.1
194.08113	44.7
195.08070	5.2
196.09680	8.6
205.06613	2.4
206.08116	10.6
207.13773	50.8
207.45280	1.8
211.20607	1.9
219.08089	3.7
219.10150	15.3
223.07542	6.6
225.14842	5.2
231.10043	2.6
241.08623	3.3
249.14594	1.7
251.06961	2.5
259.84573	1.7
267.68518	1.8
269.08054	44.7
270.08575	2.1
277.11679	4.1
286.10690	10.0
328.11737	32.2
345.14386	2.8
357.13263	3.2
369.13348	5.5
387.10098	2.1
387.14423	12.3
387.20032	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	387.1435
Annotation	SCHEMBL3183521
Peak:m/z	Relative Intensity
55.01862	0.5
67.05495	0.6
69.03391	0.4
69.07062	0.6
71.52422	0.5
79.05481	0.8
81.03408	0.4
81.07057	0.7
83.01338	1.0
88.11489	0.3
91.05457	0.7
93.03404	0.2
93.07002	0.4
95.04961	0.7
95.08572	0.4
97.06521	0.4
105.07024	0.5
107.04934	0.9
107.08595	0.4
109.02854	0.5
115.05481	0.3
117.06971	0.5
119.08582	0.5
121.10125	0.4
122.03587	0.4
123.00852	0.3
123.04396	0.8
127.03908	0.5
127.41328	0.3
129.06960	0.4
135.04396	1.5
137.02327	4.7
137.05962	6.0
139.03871	1.1
141.01825	1.3
145.10168	0.3
149.05923	0.5
151.03900	3.0
155.03383	1.0
163.03864	0.3
165.01836	1.1
167.07004	0.4
169.04980	0.6
175.04013	0.3
177.05479	1.1
179.03380	18.3
181.04950	1.0
183.02863	1.1
197.04449	9.4
219.10120	0.6
237.07637	0.3
251.09290	0.5
285.07501	0.5
313.07022	100.0
314.07388	3.2
315.04999	0.6
315.08536	1.7
327.04855	0.3
327.08670	0.4
357.13159	0.4
369.13300	20.2
370.13602	0.9
387.10071	1.3
387.14362	2.5
387.25186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Kwakhurin hydrate
Peak:m/z	Relative Intensity
55.51196	5.2
56.05033	6.2
68.49600	4.4
69.03431	6.7
70.06593	39.0
70.52318	15.3
72.08143	9.3
79.05486	8.4
79.50777	4.1
84.04493	17.9
84.08133	6.0
85.02898	8.7
86.09691	19.3
91.05482	5.6
92.16978	4.9
97.02837	5.4
107.04935	18.5
116.07076	13.0
123.04428	10.7
123.05485	5.7
127.03872	6.7
129.07008	5.0
129.10149	5.2
131.08521	5.7
139.03883	15.8
141.07005	6.7
145.02780	5.5
149.02293	6.4
150.03139	11.6
153.05450	68.2
156.05684	6.5
159.08000	11.1
163.03902	13.9
167.03412	6.1
167.07042	56.3
173.06027	6.2
174.06752	6.0
179.03406	9.1
180.01164	12.9
181.04959	6.3
186.02208	13.7
187.07486	10.3
188.46873	4.7
195.02945	12.6
202.59581	5.0
205.08514	10.7
212.03725	18.2
217.08606	18.6
219.07983	15.2
222.06737	9.2
226.01668	13.8
229.08589	12.9
231.07990	11.4
234.06769	5.6
235.07593	6.7
237.08955	5.4
240.04196	7.7
243.06499	5.0
247.09782	8.9
248.08354	12.0
249.09090	13.6
250.06277	9.4
251.07024	4.8
255.06541	21.6
258.04483	14.1
265.08545	20.3
266.09174	6.3
267.06451	6.4
268.07254	14.6
276.07712	10.2
277.08588	17.8
278.05499	6.2
279.06448	11.5
293.08023	27.2
294.08945	13.8
296.06671	6.4
299.09128	7.3
301.07007	46.2
305.08026	9.9
307.09473	10.0
308.10458	7.4
309.11243	9.1
316.09387	55.1
317.09979	9.0
322.08218	6.7
325.10571	27.4
329.10205	19.8
337.10626	30.5
339.08649	6.4
351.12164	6.0
354.10873	14.1
357.13190	8.1
369.13281	100.0
387.13785	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.99667	2.0
53.03932	3.8
55.01853	3.9
55.05509	3.2
57.03430	4.9
57.30191	2.0
61.02929	3.4
63.62989	2.3
65.03910	2.7
67.05499	5.6
69.03430	12.1
69.07050	5.5
69.18671	27.9
70.06573	12.6
71.04992	2.6
72.08160	5.6
75.60651	2.1
79.05484	5.9
81.03427	4.0
81.07049	8.7
83.01311	2.3
85.02901	22.5
86.09687	11.2
91.03934	2.9
91.05494	10.7
93.07063	6.0
95.04953	7.1
95.08618	5.0
97.02875	12.1
97.06511	4.0
103.05472	4.9
105.03436	2.4
105.07021	8.1
107.04971	10.4
107.08588	5.5
109.02867	4.2
109.06543	4.6
115.01781	2.4
115.05441	3.8
117.06972	2.8
119.04984	3.4
119.08579	4.6
120.08134	4.9
121.02818	3.5
121.10165	4.3
122.03659	2.6
123.04418	12.2
123.08076	13.3
125.05978	2.6
127.03911	9.9
129.10150	3.4
131.04915	3.7
132.48863	2.4
133.06520	2.6
133.10155	5.0
135.04395	11.7
135.08086	5.4
135.11684	2.7
137.02438	2.6
137.05960	49.1
139.03899	24.1
145.05009	4.9
145.06474	4.3
145.10194	3.4
147.04439	7.1
149.06026	4.8
150.05548	8.8
151.03897	26.5
151.06285	8.3
151.07581	18.1
152.07118	8.3
153.05499	9.8
161.06029	2.6
163.03926	11.9
163.11186	18.4
165.01917	2.4
165.07053	3.4
167.07016	21.5
173.06049	4.2
175.07610	3.3
177.05518	5.5
177.07030	3.3
178.07782	4.3
179.03493	3.2
179.08609	2.7
181.04982	14.3
181.06412	4.4
181.12267	7.4
187.07539	3.3
189.07066	4.6
189.12733	6.5
190.07738	4.3
191.08618	4.4
192.06610	7.7
194.08150	2.7
195.08147	4.9
196.58321	2.6
202.07816	5.5
203.07027	5.8
203.08598	5.1
205.06534	8.5
206.07339	6.4
207.06491	5.8
207.08154	6.9
207.09969	2.6
207.13766	61.9
208.08846	5.0
209.06119	3.5
210.11366	3.7
217.06656	3.2
218.07312	7.9
219.08099	18.0
219.10249	13.9
220.05161	2.4
221.06056	8.0
221.09692	5.5
222.06726	4.8
223.07625	3.5
224.08501	3.0
225.09232	3.6
225.14964	6.3
231.08104	8.6
231.10242	4.1
233.06026	5.4
233.09865	3.5
234.06743	12.3
235.07510	22.2
235.09473	2.7
236.08354	5.5
237.09239	3.9
238.06300	2.4
239.07146	3.3
241.08650	4.9
246.06860	5.7
247.07553	19.7
248.08150	13.0
249.05608	7.3
249.08989	14.3
250.06345	2.8
251.07124	8.9
251.10895	5.5
252.07707	2.6
253.08556	4.8
256.12799	2.4
259.07593	4.4
260.55444	2.4
261.08966	5.9
261.80603	2.9
262.06271	5.5
263.07062	21.3
263.09836	3.0
264.07761	23.8
265.08615	7.3
267.10315	4.6
268.07492	2.8
269.08047	7.6
275.07178	8.4
276.07864	7.6
277.08490	15.4
278.09283	3.1
279.06723	6.3
279.10248	20.8
280.07376	5.9
281.08249	4.4
281.11774	3.8
282.09222	2.7
289.08588	3.7
291.06934	4.6
291.10284	11.7
292.07343	6.4
293.07877	11.1
294.08923	5.6
295.09775	10.2
296.10446	3.8
297.11264	4.4
298.11313	3.8
299.05612	7.2
305.08163	4.8
306.08899	4.9
307.09607	29.1
308.07193	3.5
308.10400	6.0
309.08041	3.0
309.11310	10.5
311.09360	4.8
315.05069	7.1
315.08685	3.3
319.09531	5.3
323.05682	3.7
323.09073	17.4
324.09802	4.5
325.10928	4.1
326.11652	3.0
327.12311	3.5
337.10748	10.6
338.11444	5.9
339.12177	23.9
341.14139	5.9
343.11603	2.7
351.12393	9.9
355.11990	4.2
357.13327	19.5
369.13315	58.0
369.17831	4.0
370.14157	4.1
387.14511	100.0
387.20078	13.8
388.14487	3.1
412.85165	2.5
413.83905	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	387.1072
Annotation	Versicolorone
Peak:m/z	Relative Intensity
53.03938	0.5
55.01844	1.0
55.05489	0.5
57.03429	0.9
59.04976	1.0
61.02898	0.9
65.03919	0.6
65.47586	0.3
67.05482	0.6
67.20096	0.4
68.99783	0.7
69.03418	4.0
69.07041	0.8
70.06571	0.9
70.66263	0.8
70.66610	0.7
71.04977	0.8
73.02896	0.9
79.05463	1.0
80.01632	0.3
81.03415	2.5
81.07047	0.9
85.02441	0.5
85.02899	8.7
86.09676	1.0
87.00809	3.0
91.05447	1.3
93.03419	0.5
93.07042	0.9
95.04929	0.9
95.08604	0.6
97.02879	3.7
99.04422	1.0
103.05499	0.4
105.01848	4.0
105.07010	3.3
107.04926	1.2
107.08566	1.0
108.04483	0.5
109.02868	3.2
109.10158	0.7
111.71110	0.4
119.04908	0.7
119.08579	2.1
121.02883	0.7
121.06477	0.5
121.10107	0.8
122.05946	0.4
123.04421	4.0
123.08050	1.4
127.03895	6.4
131.06577	0.3
131.08449	0.5
133.06462	0.4
134.49519	0.3
135.04398	3.1
135.08040	0.7
137.02339	3.2
137.05945	3.9
139.03877	5.7
143.04921	0.4
145.04939	2.5
147.04372	1.3
147.11629	2.6
149.02322	0.4
149.05995	0.8
149.09628	0.5
150.05486	2.3
151.03877	2.2
151.06244	2.6
151.07500	1.6
152.07033	1.8
153.01765	0.7
153.05339	0.4
155.04877	0.4
159.02896	1.0
161.05945	1.0
161.09619	0.4
163.03877	3.1
163.11145	0.7
165.01781	3.2
165.05432	0.6
165.12730	1.6
167.03325	0.4
167.06999	1.4
171.95016	0.4
177.01735	0.5
177.05440	0.9
178.99713	3.8
181.01292	8.2
181.04895	1.8
181.08592	0.5
181.12270	0.6
183.02905	2.4
189.05487	0.9
189.09120	0.5
192.06520	1.9
193.07227	0.8
194.08115	1.1
196.09535	0.4
197.00781	8.1
199.02304	0.5
203.07043	0.5
205.04884	0.4
206.08061	0.4
207.06451	0.4
207.08318	0.5
207.13757	4.2
219.10153	1.0
225.14877	1.1
227.79367	0.4
231.04974	1.7
231.10141	0.7
245.04543	0.6
269.04468	0.4
269.08102	2.0
271.05939	0.7
273.07544	0.6
277.08636	0.4
283.05997	0.4
286.04568	0.6
287.05441	2.3
295.09555	0.5
299.05475	15.3
300.05981	1.2
311.05472	14.4
312.05792	0.5
313.03375	34.6
314.03656	1.6
315.04932	100.0
316.05325	5.1
323.09055	1.0
327.08511	1.6
328.11749	1.9
331.04398	1.6
339.08670	0.4
341.10178	10.3
341.14310	0.4
342.10376	0.4
343.11920	0.5
351.08563	2.9
369.09625	19.3
370.09970	1.0
387.10648	34.9
387.14685	1.6
387.19968	1.2
388.11023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1071
Annotation	Versicolorone
Peak:m/z	Relative Intensity
53.03930	0.3
55.01867	0.4
55.05482	0.8
57.03431	0.4
59.04990	2.3
64.89339	0.3
65.03928	0.5
66.33944	0.3
67.05489	0.8
68.99782	0.8
69.03413	0.3
69.07058	0.4
70.06565	0.4
70.88113	0.8
79.05473	1.0
81.03403	0.7
81.07065	0.8
91.05476	0.7
93.03390	0.4
93.07040	0.8
95.04996	0.5
97.06526	2.9
105.07038	0.5
107.04932	1.2
109.02842	0.5
111.04404	0.7
117.06966	0.5
121.02805	0.7
123.04401	2.4
127.03905	0.6
129.06940	0.4
131.05005	0.4
133.06454	0.3
133.10146	0.5
135.04431	2.1
137.02307	2.7
137.05989	2.6
139.03886	9.5
141.01842	1.8
143.08594	0.4
145.06459	0.6
147.04323	0.5
149.05981	1.1
151.03894	3.5
153.01794	0.4
153.05493	0.4
161.02309	1.1
161.05936	1.0
161.09622	0.3
163.03900	3.4
165.01823	7.8
167.03351	1.1
167.06979	1.7
173.05978	0.6
175.03883	0.7
175.07611	0.4
177.01820	0.5
177.05420	0.6
179.03415	1.1
181.04921	1.9
181.20210	0.3
183.02866	4.9
183.04346	0.6
189.05438	1.1
191.03488	0.4
191.07001	0.7
193.01334	0.5
193.04910	1.1
195.02869	5.5
197.00803	0.7
201.09108	0.5
203.06929	0.4
205.04860	0.6
207.06506	0.5
217.04895	2.1
217.08452	0.5
219.10136	4.9
220.10402	0.4
235.05902	2.7
235.70152	0.3
241.05048	0.4
245.04454	0.4
249.07484	0.5
261.11322	0.4
271.06107	0.5
283.05905	0.7
286.04666	2.8
287.05490	1.1
299.05463	39.9
300.05911	2.7
308.06967	0.5
309.07535	0.4
311.05478	8.6
311.08871	0.6
312.05814	0.6
313.03622	0.7
313.07074	1.5
315.05081	6.2
315.08615	1.4
316.05316	0.5
323.09103	1.1
325.06873	1.0
327.08585	41.1
328.08844	2.1
339.08563	6.3
341.05991	0.3
341.10144	8.0
341.13821	0.3
342.10727	0.4
351.08597	12.0
352.08914	0.7
357.13446	0.6
359.11227	0.6
369.09631	100.0
370.09918	5.1
387.10605	3.4
387.14520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	(3S)-3,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
55.01859	4.3
55.05509	2.4
62.46585	0.9
65.03922	1.8
67.05500	5.2
68.99753	1.2
69.03422	1.4
69.07047	1.5
69.22964	9.6
71.05006	1.1
79.05477	2.8
81.07051	3.6
83.01326	9.4
88.43697	1.0
89.10587	1.0
91.05477	2.3
93.07047	2.7
95.04947	4.2
95.08590	2.6
104.80594	0.9
105.07014	3.3
107.04940	1.7
107.08602	2.3
109.06524	1.4
111.04470	1.7
117.06975	1.9
119.08578	1.3
123.04408	19.7
123.08083	1.8
125.05965	1.9
125.09504	1.1
131.08551	1.5
133.10144	1.5
135.04379	2.4
137.02335	7.8
137.05960	10.5
139.03886	2.5
141.01811	8.6
145.10152	1.5
147.04422	1.6
151.03900	9.5
153.05449	43.4
155.03375	3.6
155.08516	1.8
159.11740	1.2
161.05969	2.3
163.03867	4.8
165.01794	6.3
165.05473	1.2
169.04820	1.6
171.11688	1.0
177.05466	1.5
179.03371	71.6
180.03688	2.7
181.04964	4.1
183.02876	3.9
183.07948	1.4
189.05353	1.5
191.03471	1.2
193.04939	9.8
197.04437	53.4
207.06554	2.9
209.04428	15.5
211.07567	1.3
229.05002	2.3
229.08565	1.0
233.08080	1.9
235.09605	0.8
239.06828	1.0
247.05740	1.3
251.09155	2.7
257.04538	1.6
257.08121	4.7
285.07584	9.0
303.08606	1.4
313.06989	9.9
315.07718	1.0
327.08655	2.3
330.06851	1.9
331.08072	100.0
331.61578	1.0
332.08350	2.5
357.13013	1.4
365.64676	0.9
369.12622	3.4
369.24286	1.7
384.67685	1.3
387.14273	10.5
387.25583	5.5
404.79352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.107
Annotation	Versicolorone
Peak:m/z	Relative Intensity
52.62327	0.4
53.20153	0.3
58.93385	0.3
59.04996	1.1
60.80455	0.3
66.95511	0.3
68.99788	0.6
69.03440	0.4
70.06577	0.9
81.03431	0.6
81.07073	0.5
85.02872	0.9
86.09711	1.4
91.05502	0.5
95.04936	0.4
97.02875	0.7
106.30530	0.4
107.04929	0.3
107.08611	0.4
109.02885	0.4
109.06556	0.4
119.08562	0.4
123.04436	0.4
123.08069	0.9
127.03904	0.4
130.64099	0.4
131.04977	0.4
135.04408	1.6
137.02324	2.5
137.05968	1.9
139.03911	1.0
141.01787	0.5
145.04987	0.4
145.06496	0.5
151.03925	1.3
151.07558	1.0
153.01770	0.4
161.02397	0.5
161.06009	0.4
163.03867	1.1
163.11165	1.1
165.01819	3.3
167.07053	0.7
177.01817	0.8
177.05383	0.8
178.99730	5.9
179.03331	0.4
181.01292	7.6
181.04922	1.0
181.12244	0.5
183.02863	2.4
189.05424	0.6
197.00797	8.4
203.03398	0.4
207.13692	2.1
217.04768	0.5
219.10071	0.8
219.76729	0.3
245.04282	0.4
249.14632	0.6
285.03857	0.5
286.04660	0.7
287.05450	2.0
299.05478	16.2
300.05978	1.0
311.05453	10.8
312.05670	0.5
313.03391	32.8
314.03714	1.4
315.04938	100.0
316.05301	5.4
323.09116	0.8
327.08609	0.5
329.06531	0.5
331.04370	1.5
341.10135	8.3
342.10492	0.5
351.08606	3.1
357.13126	0.6
369.09628	18.1
370.09573	0.9
387.10632	29.5
388.10965	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1071
Annotation	5'-Oxoaverantin
Peak:m/z	Relative Intensity
53.03912	0.8
55.01859	1.7
55.05494	1.7
57.99892	0.6
64.71993	0.6
65.03922	1.8
66.04704	0.8
66.94924	0.5
67.05482	2.3
68.99779	0.9
69.07054	1.8
70.77784	1.7
73.01158	0.6
79.01849	0.9
79.05486	3.8
81.03391	3.2
81.07034	2.6
83.08617	0.9
85.02891	0.9
90.03987	0.5
91.05456	3.0
93.07027	2.0
94.04177	3.1
95.04935	1.6
95.08587	1.6
97.06522	12.1
99.08058	1.0
103.05420	1.0
105.06997	1.8
107.04949	4.4
107.08529	1.2
109.02879	1.3
109.06508	1.4
109.10168	0.9
110.03642	0.8
111.04417	1.8
115.05431	2.2
117.07046	1.3
118.70850	0.7
119.04964	1.0
119.08561	2.0
121.02843	1.1
121.06576	0.8
122.03623	8.1
123.04424	6.1
125.05968	1.0
127.03917	2.5
129.06999	1.1
131.04893	1.4
133.06450	0.6
133.10141	1.0
135.04385	0.9
137.02339	61.9
137.03421	5.4
137.05962	100.0
138.02663	1.2
138.06282	2.1
139.03889	24.7
141.01761	1.2
143.04918	1.9
145.06502	4.7
147.04393	1.5
147.08051	2.0
149.02345	1.2
151.03903	2.8
153.05476	1.2
155.04904	1.3
157.06425	1.0
161.02316	1.2
161.05925	2.3
163.03897	2.8
165.01814	1.9
165.05562	0.6
167.07066	5.0
167.08369	1.0
171.04402	0.9
173.06006	3.2
175.00227	5.6
175.07489	4.1
177.01849	0.9
177.05435	0.8
179.03450	1.0
181.04979	6.7
183.02873	3.5
183.04443	2.9
183.08151	0.6
187.07460	1.3
189.05536	0.8
189.09029	0.7
189.11205	0.8
191.07082	1.4
193.01311	2.3
195.02882	2.3
201.05452	6.6
201.09009	0.8
203.07043	1.6
205.08568	1.4
217.08574	1.5
219.10101	5.3
221.00887	3.4
229.04941	11.4
231.07968	0.6
233.06082	0.6
233.07956	3.0
235.09602	4.0
248.08392	0.9
249.09225	0.9
250.06261	0.9
251.09193	2.9
257.04449	5.0
263.09137	4.0
266.09506	0.8
267.02856	1.9
273.04312	0.7
276.90399	0.6
285.03900	24.4
285.07043	1.2
286.04379	1.3
295.02386	7.1
297.55261	0.6
299.05539	1.5
303.04901	1.6
307.09637	0.7
313.03375	19.4
314.03781	1.0
315.04935	1.3
325.10641	1.2
337.10605	1.6
341.10205	19.2
342.10843	1.2
351.08698	0.9
357.13342	3.0
369.09647	37.8
370.09930	2.5
387.10025	1.1
387.14258	8.2
387.18433	0.8
387.26508	0.7
390.96399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.107
Annotation	Melisimplexin
Peak:m/z	Relative Intensity
59.04994	10.3
65.03927	0.3
67.05490	0.4
67.67355	0.2
69.03397	0.3
69.07039	0.2
69.25713	0.5
69.26130	1.5
74.38510	0.2
79.05482	0.3
81.03406	0.6
91.05452	0.4
93.03406	0.2
94.04160	0.3
97.06517	0.4
103.05417	0.2
105.07092	0.2
107.04939	0.3
109.66644	0.2
115.05424	0.2
117.03325	0.3
119.08559	0.3
121.02831	0.7
122.03635	0.6
123.04420	0.7
127.04006	0.2
131.04971	0.3
135.04398	2.9
137.02309	0.5
137.05963	7.6
138.06299	0.2
139.03867	1.1
145.06528	0.3
147.04422	0.3
149.02322	1.8
151.03903	0.8
153.05447	0.2
161.02342	0.9
161.05916	0.3
163.03864	0.6
163.07454	0.3
165.05489	0.2
167.03381	1.7
167.07040	0.8
173.06038	0.2
177.01817	6.2
178.02122	0.2
179.03435	0.5
181.04927	2.2
181.06410	0.3
189.05431	0.3
191.07018	0.7
195.02856	0.3
205.08643	0.2
207.06470	0.2
209.06026	0.2
219.10112	0.6
233.08060	0.3
235.05807	0.3
237.05345	0.4
247.07423	0.2
255.06569	0.3
265.04959	0.7
277.08582	0.3
283.05960	3.0
293.04379	0.6
295.09418	0.3
307.09775	0.4
309.11157	0.2
310.04749	0.3
311.05457	100.0
312.05774	5.3
315.04849	0.5
315.08487	0.3
335.92813	0.2
337.10690	0.3
351.12100	0.3
357.13327	1.0
358.72495	0.2
369.13321	0.5
387.10260	0.3
387.14471	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1071
Annotation	Daphneticin
Peak:m/z	Relative Intensity
53.45370	0.4
55.01866	0.8
55.05495	0.9
64.24007	0.4
65.03928	1.2
67.05506	3.6
68.99761	0.4
69.03405	0.5
69.07056	1.1
70.77173	1.0
79.05474	1.7
81.03385	0.7
81.07037	1.8
83.08564	0.5
91.05489	2.0
93.03380	0.5
93.06998	1.2
94.04169	0.6
95.04946	1.2
95.08600	1.0
97.06533	0.5
98.10382	0.4
103.05460	0.5
105.07007	1.6
107.04908	0.8
107.08578	0.8
109.06475	0.5
109.10155	0.7
111.04392	0.4
117.07008	1.1
118.31066	0.4
119.04910	0.4
119.08570	0.9
121.02873	2.3
121.06483	0.4
121.10114	1.1
122.03643	2.3
123.04453	1.8
127.03876	0.6
129.06964	1.1
130.87257	0.4
131.04892	0.5
133.10141	0.4
137.02335	14.7
137.03368	0.7
137.05966	23.3
138.02693	0.5
138.06302	0.5
139.03879	7.6
141.01788	2.0
142.63544	0.4
143.04877	0.6
145.06430	1.6
147.04413	1.1
147.08057	0.4
149.02341	1.4
149.05939	0.5
151.03885	0.8
157.06424	0.5
159.11694	0.6
161.02339	0.8
161.05998	0.6
161.13139	0.4
163.03876	2.1
165.01814	1.8
165.07010	0.5
167.03351	0.9
167.07030	1.4
173.05957	0.8
175.03845	0.6
175.07518	0.7
177.01869	1.0
177.05389	0.5
179.03326	0.7
181.04950	1.9
183.02870	1.6
185.05972	1.1
187.03989	0.6
187.07480	0.6
189.05455	0.9
191.03439	0.5
191.06978	0.9
197.09428	0.5
201.05405	1.7
201.09064	2.1
203.03305	0.5
203.06949	0.7
213.05479	1.5
217.05043	0.7
225.05437	0.6
231.06493	1.0
241.05000	1.4
253.05075	0.5
259.05957	0.9
261.03928	0.5
267.06473	0.5
269.04428	0.6
273.04196	0.6
277.08585	0.8
277.55542	0.4
287.05496	5.6
295.06290	0.5
295.09470	0.9
299.05447	2.5
303.04916	1.9
311.05463	1.1
313.07068	0.7
315.04953	48.0
316.05362	2.1
323.09143	1.1
325.06866	0.5
326.04041	0.6
327.04959	5.7
327.08582	1.7
329.06702	0.6
337.06891	0.5
339.04950	4.2
340.05637	2.4
341.06287	1.6
341.10049	0.9
351.08551	3.0
353.06699	1.9
354.07239	3.8
355.11661	0.5
357.13339	1.1
369.09625	33.3
370.09857	1.3
387.10666	100.0
388.11020	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	387.1071
Annotation	Versicolorone
Peak:m/z	Relative Intensity
55.01863	0.8
55.05496	0.4
65.03940	0.4
67.05497	1.3
68.99771	0.5
69.31600	2.3
74.14668	0.2
79.05486	0.3
80.41451	0.2
81.03403	0.5
81.07034	0.6
83.04935	0.3
86.69755	0.2
91.05468	0.6
93.03384	0.3
93.07039	0.3
95.04935	0.4
95.08596	0.3
98.20761	0.5
105.03355	0.5
105.07035	0.5
107.04954	0.4
117.07007	0.5
119.04906	0.3
119.08567	0.4
120.08747	0.3
121.02875	1.2
123.04430	0.7
127.03932	0.3
129.07002	0.6
131.04910	0.3
131.08495	0.3
135.04372	0.5
137.02328	11.8
137.03391	0.7
137.05965	2.2
141.01790	1.6
141.06990	0.4
145.02844	0.4
145.06433	0.4
145.10046	0.2
149.02312	1.2
151.03851	0.4
157.06496	0.4
159.04431	0.3
161.02295	0.8
163.03903	1.2
165.01831	1.4
167.03375	0.3
169.06445	0.4
171.04369	0.3
173.06009	0.4
175.03781	0.5
175.07561	0.7
177.01819	0.9
179.03435	0.7
181.04924	0.6
183.02834	1.3
185.05992	1.2
187.03874	0.6
189.01816	0.7
191.03368	0.4
197.04292	0.3
197.05981	0.5
201.05441	1.0
202.09373	0.2
203.03442	0.5
203.07010	0.3
205.04990	0.4
213.05438	0.7
215.07025	0.3
217.04959	0.4
219.06535	0.3
221.61798	0.2
225.05464	0.8
229.05025	0.4
239.06912	0.2
241.04976	1.0
249.08815	0.3
252.04214	0.3
253.04999	1.1
257.04291	0.3
259.06116	0.3
261.03934	0.4
263.06921	0.3
266.05807	0.4
267.06494	0.3
271.06049	0.3
277.08582	1.1
281.04340	0.5
286.04636	0.5
287.05328	0.6
295.06003	0.7
295.09378	0.4
298.04742	0.4
299.05457	3.3
301.03424	0.2
302.04294	0.5
303.05042	0.9
305.07928	0.4
308.06833	0.8
309.07632	0.4
311.05408	1.9
312.06390	0.3
313.07028	3.4
313.10397	0.4
315.04953	30.0
316.05414	1.3
323.09146	1.6
325.07126	0.6
326.04285	0.4
327.04953	6.7
327.08640	1.5
329.06622	0.8
336.06247	0.4
337.07086	0.4
339.04959	5.5
340.05710	4.6
341.06473	2.6
341.10220	0.9
342.52499	0.3
351.08630	5.2
353.06570	3.1
354.07275	5.2
369.09650	100.0
370.09988	4.9
387.10489	1.4
387.24988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1073
Annotation	Versicolorone
Peak:m/z	Relative Intensity
50.03957	0.5
55.01853	0.8
55.05499	1.0
57.03429	0.9
59.04999	2.6
67.05494	2.1
68.99780	1.1
69.03442	0.7
69.07050	2.1
70.42762	1.7
75.89581	0.5
79.05493	2.8
81.07047	1.2
83.04976	1.0
85.02866	0.8
91.05470	1.1
93.03471	0.6
93.07034	1.5
95.04947	0.6
95.08596	0.7
97.02878	0.7
97.06525	12.0
102.71824	0.5
105.07038	0.6
107.04917	1.2
107.08593	0.8
111.04420	1.2
115.05481	0.6
117.07048	0.5
119.04919	0.6
119.08582	0.8
121.10149	0.6
123.04411	5.3
125.05962	0.9
133.06448	0.7
133.10078	0.7
135.04416	1.8
137.02354	2.7
137.05974	4.9
139.03893	20.2
141.01855	0.7
147.04405	0.7
149.05998	0.9
151.03963	0.8
153.01831	0.6
158.59067	0.6
161.02266	0.8
161.05998	1.5
163.03952	2.5
165.01813	8.0
166.05238	0.6
167.03545	0.7
167.07031	1.8
175.03909	0.7
177.05515	0.6
179.03430	0.8
181.04907	1.1
183.02856	4.0
189.05424	1.0
191.07130	0.6
193.04913	0.7
201.05614	0.5
203.06970	0.6
207.06537	0.8
217.05032	1.5
217.08571	1.4
219.10138	9.3
233.08197	0.7
235.05969	3.3
238.77522	0.6
245.04424	0.8
283.06061	1.1
286.04703	2.0
287.05466	1.5
291.24396	0.6
295.09573	0.7
299.05472	38.5
300.06012	2.5
308.06805	0.6
309.07370	0.7
311.05463	8.4
313.03650	0.9
313.07159	1.4
323.09055	1.0
327.08594	41.0
328.08881	1.8
331.08307	0.7
337.10696	0.7
338.07922	0.8
339.08618	6.0
339.12244	0.8
341.10159	7.1
342.10416	0.7
351.08630	11.9
369.09653	100.0
370.09930	5.7
387.10239	0.9
387.14426	1.5
387.23486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.107
Annotation	Daphneticin
Peak:m/z	Relative Intensity
53.15600	0.3
55.01859	1.1
55.05484	0.7
57.03437	0.8
67.05505	2.7
68.99768	0.4
69.03384	0.4
69.07053	0.8
70.71395	0.9
79.05480	2.0
79.06120	0.3
80.58427	0.3
81.03403	0.7
81.07028	1.3
83.04987	0.4
83.08633	0.5
91.05483	1.6
93.07039	1.3
94.04146	0.8
95.04943	1.0
95.08584	1.2
97.06509	0.6
103.05489	0.3
105.06991	1.0
107.04937	0.9
107.08571	0.7
109.06512	0.5
111.04419	0.8
115.05440	0.6
117.06979	0.7
119.04946	0.3
119.08531	0.7
121.02857	2.1
121.10131	0.5
122.03644	1.9
123.04412	1.3
129.06978	0.8
131.04884	0.5
133.06590	0.4
133.10117	0.5
135.73596	0.3
137.02342	14.4
137.03406	0.9
137.05965	22.3
139.03894	6.6
141.01823	2.0
143.08592	0.4
145.06473	1.1
145.10149	0.4
147.04388	0.8
147.08110	0.7
149.02325	1.0
151.03883	1.0
153.05457	0.4
157.06525	0.6
161.02388	0.4
161.05969	0.9
161.22469	0.3
163.03873	1.5
165.01814	2.0
167.03372	0.7
167.07071	1.6
171.04442	0.4
173.05971	0.9
173.09607	0.3
175.03859	0.3
175.07535	0.7
177.01828	0.5
177.05533	0.4
179.03468	0.4
181.05017	2.2
183.02917	2.0
183.04272	0.4
185.05988	1.4
185.13266	0.3
187.03940	0.5
189.01868	0.4
189.05476	0.5
191.06987	0.5
197.06004	0.6
201.05438	1.2
201.09096	2.1
203.07027	1.0
213.05499	1.8
215.06963	0.4
217.04915	0.8
219.03065	0.4
219.06474	0.4
225.05452	0.4
225.09340	0.3
229.05197	0.3
231.06371	0.7
241.05038	1.5
245.04514	0.5
249.09036	0.5
253.04979	0.4
255.06625	0.4
257.04382	0.4
259.05957	0.7
261.03845	0.5
269.04422	0.4
271.05850	0.4
273.03955	0.9
277.08591	0.6
281.04797	0.3
285.07336	0.4
286.04468	0.4
287.05511	6.1
298.04617	0.5
299.05463	2.9
302.04248	0.6
303.04752	1.7
305.07974	0.5
308.06790	0.5
311.05280	0.8
312.06003	0.4
313.07040	0.7
315.04953	48.9
316.05344	2.8
318.64499	0.4
323.09155	1.3
325.10699	0.4
326.04291	0.4
326.08096	0.4
327.05106	5.5
327.08682	1.3
337.07111	0.4
339.04980	3.9
340.05814	3.1
341.06516	1.6
341.10013	0.6
351.08633	3.1
351.23462	0.4
353.06448	1.2
354.07343	3.8
355.11795	0.7
357.13290	0.8
369.09637	31.6
370.10049	2.0
387.10681	100.0
388.11044	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	385.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01859	3.2
55.05506	69.7
57.03201	2.0
57.03436	24.9
57.06797	3.0
57.07070	55.5
58.63538	1.3
62.47424	1.4
65.03908	1.7
67.05499	23.0
69.07061	86.4
69.35458	7.5
69.35871	3.0
71.04970	3.7
71.08238	2.1
71.08622	34.8
72.04510	2.1
73.06547	2.2
74.27839	1.3
74.54590	1.4
75.04469	2.4
76.05730	1.3
79.05498	10.8
81.07045	36.8
83.04967	5.2
83.08608	60.0
85.06539	3.8
85.10170	23.1
91.05456	2.6
92.88707	1.4
93.07029	19.7
95.08595	32.3
97.06536	11.8
97.10157	40.5
99.08050	2.5
99.11693	2.6
100.96505	1.3
101.06007	2.2
107.08574	14.6
109.10143	17.2
111.08093	8.7
111.11704	10.4
115.07556	4.2
121.10135	17.9
123.11680	6.1
125.09631	8.6
125.13248	3.4
129.09102	2.9
135.11670	14.9
137.13202	3.2
139.04971	1.4
139.11145	8.3
149.13235	11.9
153.12741	9.3
157.12209	1.8
157.29176	1.8
163.14816	7.7
167.14299	5.7
171.13763	2.6
177.16386	3.4
181.15826	5.4
185.15280	1.6
191.17879	3.0
193.19496	1.6
195.17426	2.6
205.19458	2.7
209.19049	2.9
213.18474	1.7
219.21187	2.1
223.20531	3.0
251.79176	1.7
275.27322	8.8
293.28290	18.9
349.80539	1.6
367.32022	17.8
385.33078	100.0
386.33411	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	385.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59306	0.7
51.74897	0.6
54.65699	0.6
55.01856	1.0
61.02920	1.5
65.03931	0.8
69.03408	3.2
69.83140	2.0
69.83549	2.1
70.06584	4.9
72.08141	3.9
79.05447	1.2
81.03384	1.5
84.04505	1.0
84.08136	1.5
85.02898	9.8
86.09702	6.3
91.05458	2.2
95.04965	1.2
97.02883	3.5
98.21495	1.2
99.04407	0.7
105.07014	1.6
107.04915	2.2
109.02895	0.8
110.07143	1.1
112.08713	0.9
113.78740	0.8
115.05480	1.3
116.07115	1.5
117.05701	1.0
118.06531	30.9
121.06492	1.3
123.04389	1.3
127.03901	1.8
128.06232	0.7
129.07034	1.2
129.10242	0.8
130.05606	1.2
130.06522	20.9
131.07333	1.1
132.08064	7.0
133.06480	0.9
137.05946	2.5
139.03877	8.7
142.06500	1.7
144.08057	6.1
145.04941	0.9
145.06488	1.6
146.04865	1.1
146.06006	18.3
147.04356	0.8
151.03943	1.0
159.07999	0.8
160.07571	30.4
161.06013	0.9
163.03915	1.7
163.11162	1.6
167.07034	8.2
170.05994	10.0
173.05968	1.5
173.12863	0.8
175.07458	0.9
181.08540	1.5
187.07515	1.0
188.07054	29.8
189.05388	1.2
189.07376	1.0
193.08572	1.6
201.05421	5.7
201.09027	1.2
205.04982	2.1
205.08521	1.3
205.12119	1.6
206.08110	100.0
207.08441	2.0
211.89499	0.7
215.07001	1.2
217.08696	1.5
223.05916	3.7
223.13435	1.0
247.09604	0.9
248.09236	1.1
275.24609	0.8
349.10916	0.9
367.11554	1.3
385.12674	2.2
385.18109	3.9
385.25470	1.0
386.12445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36082	1.7
53.03930	7.6
55.01868	10.2
55.05507	4.9
57.03422	9.6
58.44707	1.7
60.04488	2.3
61.02908	6.8
61.79777	1.7
65.03933	8.3
67.05476	5.1
68.99786	4.6
69.03423	38.2
69.07067	4.4
69.20400	8.6
69.20835	11.7
70.06575	8.6
71.04987	6.5
72.08144	40.6
73.02905	12.0
79.05457	2.7
81.03410	39.1
81.07038	3.4
84.04478	5.4
84.08145	12.1
85.02894	100.0
85.06567	2.1
86.09693	35.0
87.00820	33.1
91.03970	2.1
93.03392	6.8
96.07352	2.2
97.02880	36.0
97.03452	3.3
99.04454	18.1
105.01847	29.4
107.04959	3.0
109.02864	39.7
111.04430	48.0
112.07536	2.3
113.05984	2.1
117.01827	4.9
121.10113	3.9
123.04400	3.6
127.03899	70.5
129.01814	2.5
129.10252	12.5
139.03886	70.6
140.07072	3.2
145.04936	24.6
147.02895	4.1
159.02866	22.5
163.11195	3.2
167.07024	5.7
170.06339	3.3
171.14886	5.4
175.10799	2.1
185.16496	9.1
187.34990	2.2
189.03929	2.4
189.12431	5.5
199.14458	4.5
205.05048	2.1
207.13838	8.6
213.03897	2.9
213.15883	3.2
231.05008	8.5
248.09241	2.0
282.12485	2.0
317.10300	1.8
348.81924	2.0
369.13629	3.6
387.12311	4.3
387.16699	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01845	1.5
55.05506	50.5
57.03436	19.8
57.07070	43.4
59.04987	1.2
67.05495	20.9
68.38465	0.9
69.07061	67.4
69.54897	5.9
71.04975	2.0
71.08245	1.6
71.08624	27.5
73.02898	0.8
73.06534	2.7
75.04457	1.8
79.05481	9.0
81.06590	1.5
81.07050	28.5
83.04961	2.2
83.08609	45.6
83.15807	0.8
85.06532	2.0
85.10180	16.5
85.82178	1.0
91.05445	1.6
93.07037	11.8
95.08595	27.3
97.06511	11.1
97.09551	1.7
97.10160	32.0
97.10785	1.5
99.08089	2.5
99.11702	1.7
101.06010	2.0
107.08569	11.2
109.10146	13.5
111.08070	8.4
111.11715	9.4
113.13264	1.0
115.07559	2.9
121.10136	13.3
123.11689	6.7
125.09589	7.2
125.13258	2.6
129.09113	2.9
135.11661	12.2
137.13234	1.6
139.11168	8.1
143.10648	2.1
149.13251	7.9
151.14774	1.4
153.12724	6.0
157.12244	2.3
163.14799	5.2
167.14333	5.8
171.13747	1.2
177.16379	3.4
179.17915	1.0
181.15875	3.2
185.15347	1.0
191.17905	2.9
195.17433	3.2
199.16888	1.0
205.19499	3.0
209.18973	2.7
219.21008	1.5
223.20511	2.0
237.22052	1.4
275.27359	7.3
293.28394	16.2
311.29514	1.3
367.32013	15.8
385.33087	100.0
386.33530	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	385.1276
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
52.11709	0.2
53.03885	0.2
55.01802	0.8
55.05449	0.2
65.03879	0.2
67.05422	0.6
69.03377	0.3
69.07007	0.2
69.59214	0.2
69.97950	0.9
73.58125	0.2
79.05439	0.3
81.03336	0.5
81.06989	0.4
83.01326	2.4
83.04910	0.2
91.05396	0.4
93.06985	0.4
95.04872	0.6
95.08530	0.4
105.06963	0.4
107.04839	0.2
107.08485	0.6
109.02808	0.4
109.06389	0.3
109.10069	0.3
117.07008	0.2
121.02800	0.5
123.04337	0.7
127.03820	0.5
131.04863	0.4
131.08473	0.3
133.10043	0.3
135.04362	0.2
137.02322	10.7
137.03349	0.9
137.05850	0.6
138.02623	0.2
141.01807	1.9
141.85216	0.2
143.08470	0.3
145.10062	0.2
149.05858	0.5
151.03885	2.3
153.06932	0.2
155.03343	1.1
158.78177	0.2
161.09570	0.2
163.03880	1.7
169.04895	0.3
171.07916	0.3
179.03369	3.3
181.06363	0.3
189.05374	0.2
191.03291	0.3
193.04898	0.3
197.04422	2.6
198.04660	0.2
199.07503	1.1
209.06136	0.2
217.04961	1.5
217.08463	0.3
227.03328	0.2
227.06956	1.1
233.07977	0.3
245.08078	0.5
255.06407	1.0
273.07465	0.6
283.05783	0.3
286.04648	0.4
301.07047	1.2
313.07010	0.6
314.03891	0.2
327.04758	0.2
329.06491	100.0
330.06845	3.8
367.11725	2.1
385.12787	6.1
385.23416	0.4
386.13071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1278
Annotation	Oxyisocyclointegrin
Peak:m/z	Relative Intensity
55.01864	0.3
55.05504	0.3
57.03409	0.2
59.04996	9.0
63.73355	0.2
67.05482	0.9
67.48132	0.2
68.99798	0.3
69.03413	0.3
69.07063	0.3
70.12295	0.9
70.52145	0.2
71.05006	0.2
79.05487	1.0
81.03400	0.5
81.07055	1.2
83.01333	0.2
83.08599	0.4
91.05486	1.3
93.07017	0.8
95.04945	0.9
95.08599	0.5
97.06501	0.4
97.10148	0.2
105.07013	0.7
107.04951	0.8
107.08569	0.4
109.02841	0.2
109.06495	0.3
115.98988	0.2
117.06966	0.2
119.04942	2.8
119.08555	0.4
121.02882	0.6
121.06503	0.3
121.10084	0.3
123.04413	0.4
124.42393	0.2
125.09618	0.3
129.06976	0.2
131.08559	0.4
133.10106	0.3
135.04395	0.7
135.08026	0.3
135.11682	0.2
137.02310	1.9
137.03369	0.3
137.05972	0.4
145.02840	0.6
145.06410	0.2
145.10172	0.2
145.88297	0.2
147.04393	0.2
147.11707	0.2
149.53436	0.2
150.47614	0.2
153.01891	0.3
159.08017	0.3
161.05931	0.3
163.03889	1.5
163.07214	0.2
167.03448	0.2
167.07042	0.5
171.07977	0.3
181.04980	2.0
191.03387	4.7
193.12247	1.3
201.05609	0.5
203.17877	0.2
205.12163	0.3
209.04347	0.3
233.13333	0.2
235.07503	0.2
237.05180	0.3
253.08540	0.3
267.06665	0.2
281.08066	3.0
294.05142	1.4
295.09467	0.3
308.06589	0.3
309.07535	100.0
310.07904	4.4
329.06699	0.5
339.08673	0.4
353.10153	0.3
367.07797	0.4
367.11874	0.4
367.22629	0.7
385.08347	0.3
385.13004	1.3
385.23740	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	385.1278
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
52.65348	0.2
55.01842	0.8
55.05487	0.4
55.72409	0.3
55.87156	0.2
61.81568	0.2
65.03907	0.2
67.05496	1.7
68.99767	0.5
69.03415	0.3
69.07059	0.2
70.34238	0.7
79.05450	1.0
81.03379	0.3
81.07021	0.8
83.01315	1.1
83.04920	0.2
83.08562	0.2
89.96043	0.2
91.05455	0.9
93.07013	0.6
95.04961	0.6
95.05563	0.3
95.08590	0.6
98.20762	0.3
105.07008	0.5
107.04914	0.5
107.08570	0.4
109.02813	0.3
109.06483	0.4
109.10165	0.3
111.04483	0.3
119.08538	0.5
123.04398	0.8
131.08546	0.5
135.04419	1.3
137.02328	3.8
137.05966	0.3
141.01811	0.5
143.08490	0.4
147.04364	0.6
147.07982	0.3
149.05952	0.3
151.03900	2.3
153.01891	0.4
155.03345	0.5
159.07951	0.2
161.02328	2.3
163.03839	0.4
167.03325	0.3
167.07002	0.8
169.04984	2.4
173.06062	0.3
177.05438	0.6
179.03394	6.5
181.04968	0.9
183.08006	0.3
187.07491	0.6
191.03355	0.9
193.04916	0.3
197.04436	3.5
199.11060	0.3
200.04671	0.3
201.05408	0.4
203.03397	0.5
204.04092	0.6
205.04860	0.5
215.07082	0.6
218.05692	0.6
222.05122	0.3
231.06425	0.4
233.08044	0.7
245.96928	0.3
257.08179	0.4
259.05927	0.4
265.07034	0.3
270.05264	0.9
271.06052	0.8
283.05930	0.4
284.07004	0.3
285.07526	4.9
297.07526	2.9
299.05313	0.4
300.06430	0.5
301.07040	3.2
307.09546	0.4
309.07428	1.2
310.08218	0.4
311.05679	0.5
311.09094	0.7
313.07028	42.2
314.07385	2.0
321.11197	0.5
323.05408	0.7
323.09094	0.7
324.06509	1.2
324.09827	0.4
325.06998	5.4
325.10724	1.7
327.08270	1.1
334.08282	1.0
335.09036	0.4
337.07059	5.3
338.07739	3.8
339.08594	1.5
339.11603	1.2
349.10657	4.6
351.08633	2.8
352.09344	5.9
353.09839	0.4
367.11743	34.1
368.12045	1.4
385.12753	100.0
386.13168	5.9
386.18146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1277
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
55.01865	1.0
55.05494	0.9
55.38877	0.4
58.90715	0.4
59.04980	0.7
67.05496	2.2
68.99789	0.8
69.03421	0.5
70.54241	0.9
70.54604	0.8
79.05484	1.1
81.07037	1.3
83.01331	1.7
91.05465	1.5
93.07015	0.8
93.80980	0.4
95.04964	1.0
95.08592	0.9
102.77309	0.5
104.14722	0.5
105.06988	0.8
107.04939	1.0
109.02883	0.4
109.06468	0.5
111.09357	0.4
117.35065	0.4
119.04885	0.7
119.08560	0.9
123.04396	0.6
129.07011	0.5
131.08505	0.8
133.06429	0.4
133.10121	0.7
135.04402	2.1
137.02303	4.9
137.05917	1.0
141.01793	1.5
147.04373	1.1
151.03877	3.3
153.01772	0.9
155.03357	1.0
155.08447	0.5
157.10236	0.4
159.07996	0.6
161.02293	1.4
163.03899	0.8
165.01768	0.5
167.03401	0.5
167.06970	0.7
169.04921	1.5
170.07176	0.4
177.05412	0.7
179.01833	0.9
179.03374	15.2
181.04939	1.3
187.07457	0.7
193.04962	1.7
197.04434	6.6
198.04634	0.4
201.05440	0.4
203.03418	0.6
204.04286	0.5
205.04738	0.5
215.07024	0.5
218.05585	0.7
247.05934	1.4
259.05743	0.5
265.06955	0.5
270.05084	0.6
277.07721	0.5
285.07538	3.5
293.07809	0.5
297.07538	3.2
299.05539	0.7
301.07065	1.8
309.07526	1.9
313.07016	49.5
314.07523	2.4
323.08954	0.6
324.06223	1.7
325.07037	8.0
325.10678	1.3
327.08591	2.8
329.06357	0.7
334.08249	1.2
337.06924	3.2
338.07681	2.0
339.08371	1.1
339.12134	1.8
349.10651	2.1
351.08502	1.2
352.09460	3.3
367.11728	20.5
367.22308	0.9
368.12100	1.1
370.13058	0.8
385.12729	100.0
385.22974	3.8
386.13062	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	385.1277
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
53.95832	0.3
55.05494	0.5
58.12438	0.4
59.04975	1.4
67.05486	0.4
69.07052	0.4
69.31643	3.4
70.06597	0.5
79.05468	0.9
81.03412	0.7
81.07023	0.9
82.57949	0.4
84.08087	0.5
91.05435	0.9
95.08569	0.4
97.06548	0.4
98.21587	0.6
105.07001	0.7
107.08627	0.4
117.06921	0.4
119.04906	1.4
119.08553	0.6
121.02838	4.0
123.04418	0.6
131.08511	0.6
135.04401	0.5
135.08018	0.4
137.02298	0.6
137.05925	0.5
139.03867	1.6
145.02835	0.7
147.04344	0.5
149.24295	0.4
151.03876	0.7
160.95653	0.4
163.03911	0.7
167.07056	0.8
169.04698	0.4
175.07533	0.6
179.03377	5.4
181.04977	0.6
188.58711	0.4
191.03419	0.6
193.01302	4.7
195.02870	8.0
197.04405	2.2
198.12523	0.4
201.05421	0.5
203.06961	0.5
211.02367	6.9
217.08630	0.4
231.06480	0.5
241.08456	0.4
267.06577	0.8
281.08273	0.5
283.06039	1.6
284.06836	2.1
285.07462	1.7
291.06531	0.4
294.04984	0.4
297.07550	23.5
298.07977	1.7
305.07761	0.5
306.08878	1.1
309.07541	17.7
310.07831	0.8
311.05481	34.7
311.08688	1.2
312.05753	1.0
313.07022	100.0
314.07385	3.9
321.11185	2.0
325.00238	0.5
325.06897	1.0
325.10715	1.2
329.06534	1.2
337.10641	0.8
339.12225	10.7
340.12549	0.4
349.10712	4.2
353.10138	0.6
361.02307	2.4
367.11749	37.9
368.11975	1.7
379.03329	1.2
380.99161	0.6
384.03827	0.6
385.12772	35.2
385.23526	1.5
386.13031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.01841	0.6
58.03916	0.2
61.02884	0.3
65.03891	0.3
67.05489	1.2
68.99777	0.3
69.03388	0.4
70.06553	0.3
70.08392	0.8
73.02911	0.2
81.03354	0.3
81.07041	0.4
83.01327	1.2
85.02865	0.3
86.09679	0.2
91.05445	0.2
95.04914	0.7
97.02852	0.3
97.06468	0.7
102.65604	0.2
105.03335	0.5
107.04902	0.3
109.02847	0.3
119.08615	0.3
121.06409	0.2
122.13880	0.2
123.00753	0.3
123.04366	0.6
127.03844	0.3
128.06235	0.3
129.07008	0.2
135.04379	1.4
137.02327	5.1
137.03354	0.2
137.05872	0.3
139.03900	0.3
141.01805	1.5
147.04341	0.4
151.03882	2.6
155.03404	1.0
161.02299	0.4
163.03871	0.8
167.03314	0.2
167.06992	0.6
169.04866	0.5
175.03865	0.3
177.05412	0.7
179.03372	19.8
180.03732	0.4
181.04941	0.4
197.04434	7.8
201.05402	0.5
203.03423	0.3
203.07013	0.2
204.04088	0.3
207.06419	0.3
215.06953	0.2
217.08565	0.9
221.04167	0.3
231.06454	0.2
233.08078	0.4
259.06110	0.2
263.05365	0.3
285.07526	0.7
297.07623	0.9
301.07053	4.1
309.07474	0.4
311.05560	0.3
311.09024	0.3
313.07013	100.0
314.07385	5.3
324.06277	0.4
325.06982	2.0
327.08505	0.6
334.08298	0.3
337.07083	1.5
338.07779	0.8
339.08585	0.4
339.12286	0.3
343.08044	0.4
349.10684	1.4
351.08582	0.6
352.09470	1.5
353.09555	0.2
367.11737	14.5
368.11960	0.7
385.12781	40.0
386.13245	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	385.1276
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.01849	0.2
55.05465	0.5
67.05493	1.1
68.99763	0.3
71.53098	0.2
79.05444	0.8
81.03384	0.3
81.06989	0.6
83.01338	1.1
89.03892	0.3
91.05420	0.7
93.07000	0.4
95.04900	0.5
95.08567	0.2
105.06965	0.5
107.01272	0.4
107.04883	0.6
107.08556	0.2
109.02845	0.3
109.06492	0.4
109.10068	0.2
111.04359	0.2
117.06970	0.3
119.04932	0.2
119.08506	0.4
123.04379	0.3
123.07992	0.2
128.06181	0.5
129.06900	0.2
131.04854	0.2
131.08492	0.7
135.04390	2.0
137.02315	4.3
141.01779	0.6
143.08485	0.3
147.04370	0.5
147.07974	0.2
149.02295	0.3
151.03888	1.0
155.03363	0.3
159.08028	1.1
161.02336	2.1
161.05916	0.3
163.03922	0.8
167.03323	0.2
173.05937	0.2
176.04594	0.2
177.05391	0.6
179.03371	6.4
181.04941	1.6
183.08017	0.3
183.22377	0.2
187.07520	0.8
189.09048	0.2
190.06248	0.2
191.03368	1.4
193.04878	0.4
197.04410	2.7
197.06073	0.3
200.04584	0.5
202.06296	0.2
203.03380	1.4
204.04178	1.0
205.04872	0.5
205.08546	0.3
215.07025	1.0
217.04872	0.3
218.05673	1.4
221.04317	0.3
222.05145	0.3
226.44566	0.2
233.08101	0.8
259.05963	0.6
269.08069	0.3
275.20169	0.2
283.06003	0.3
284.06836	0.8
285.07568	0.5
295.05899	0.2
297.07538	4.0
300.06281	0.7
301.07037	1.6
305.08090	0.2
306.08731	0.5
307.05728	0.2
309.07559	3.2
310.04724	0.4
310.07883	0.4
311.05463	0.3
311.09061	1.2
313.07013	23.5
314.07251	0.9
321.10947	0.3
323.05359	0.7
323.09100	0.9
324.06201	1.4
324.09720	0.4
325.06985	7.4
325.10709	2.2
326.07361	0.4
327.08640	0.7
329.06497	0.6
333.07532	0.2
334.08267	2.1
335.08963	0.5
337.07019	9.2
338.07776	5.2
339.08496	2.0
339.12265	1.3
349.10648	6.8
350.11060	0.4
351.08597	5.0
352.09369	7.8
353.09827	0.4
367.11722	100.0
368.12106	5.7
385.12814	3.8
385.23743	1.1
385.31464	0.3
386.13071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.7
55.61235	2.7
57.07058	11.6
60.99518	2.9
67.05504	19.4
69.07058	14.7
71.08601	11.2
71.40453	4.9
77.32464	2.6
79.05473	11.8
81.07046	38.7
83.08620	15.6
85.10166	7.3
86.59760	2.7
90.40717	2.6
91.05460	8.5
93.07021	16.8
95.08588	40.0
97.10136	14.0
104.39395	2.8
105.07008	18.6
107.08579	14.1
109.10139	32.1
111.11697	4.7
119.08584	20.1
121.10104	13.8
123.11691	13.1
125.13272	3.5
133.10088	14.6
135.11659	31.2
137.13297	3.9
147.11673	44.8
149.13232	14.8
151.14815	4.8
159.11630	3.2
161.13240	39.7
163.14789	5.3
165.16437	3.6
175.14799	14.8
177.16449	5.2
187.11166	3.5
187.14722	5.5
189.16422	9.0
203.17963	10.8
215.17944	11.1
217.19464	4.8
229.19583	6.1
233.22668	3.2
243.21088	8.5
247.24297	4.6
257.22687	5.6
273.25769	5.6
299.26999	3.6
301.28949	4.4
383.36722	100.0
384.36911	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	384.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01872	8.0
55.05479	1.7
57.03422	5.4
57.07055	1.5
61.02904	4.6
62.22897	1.3
63.04450	1.3
63.82027	1.1
67.05479	1.5
68.99770	3.3
69.03421	34.4
69.88068	6.9
70.03365	1.2
70.06579	2.1
71.04974	5.2
73.02906	8.0
81.03406	21.3
83.08588	1.3
84.08134	1.3
85.02896	100.0
86.09697	2.9
87.00821	49.9
87.04462	1.5
91.03917	2.9
91.05449	1.9
97.02883	37.1
99.04446	13.3
103.83618	1.2
105.01856	72.9
109.02869	29.0
110.07157	2.6
117.01837	2.3
119.10658	4.9
120.08079	1.7
127.03900	67.7
129.01794	3.1
137.05943	1.7
139.03903	6.1
145.04951	33.4
147.02876	2.2
151.03944	1.2
153.05450	3.7
159.02858	11.9
163.03850	1.9
167.07098	2.3
182.04973	2.5
189.03934	3.4
213.03877	4.1
231.04979	23.0
237.55933	1.4
249.06013	6.6
325.10068	1.2
344.48007	1.2
384.20914	1.7
385.12668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38694	2.0
53.03930	4.7
53.13494	2.0
55.05503	17.1
57.07069	12.2
59.04986	5.6
60.20179	2.3
61.90069	2.3
65.03930	5.0
67.05495	49.2
68.36606	2.5
69.03434	14.0
69.07066	12.2
69.40682	21.0
71.04969	6.4
74.42158	2.6
77.70245	2.6
79.05485	29.7
81.06303	2.3
81.07045	37.8
83.04958	7.3
83.08630	4.9
85.06532	4.7
91.05467	45.9
91.12881	2.1
92.11864	2.8
93.07035	93.8
94.07320	2.1
95.04955	30.4
95.08595	44.4
97.06508	12.9
105.06302	4.3
105.07016	73.3
107.08586	40.3
108.08952	2.4
109.06506	29.8
109.10152	30.0
111.08059	12.6
115.05403	2.6
116.06207	2.2
117.07014	13.5
119.08562	57.7
120.09386	3.6
121.06490	18.9
121.10122	41.3
123.08067	29.8
123.11688	2.9
128.06216	9.1
129.06976	13.0
130.07768	3.4
131.08554	28.0
133.06450	7.4
133.10120	26.9
135.08046	27.6
135.11702	4.7
137.05956	2.5
137.09630	12.2
141.06960	5.7
142.07773	21.8
143.08554	22.3
144.09306	2.5
145.06442	3.3
145.10109	31.1
146.07228	3.3
147.08037	27.7
147.11670	14.1
149.09578	20.8
149.13217	2.2
151.07515	37.5
155.08545	5.2
156.09320	8.0
157.10121	35.2
158.10823	2.6
159.08041	8.6
159.11641	15.1
160.08875	4.6
161.09586	21.8
161.13251	9.8
163.11174	10.2
165.09087	43.1
170.10863	3.6
171.11668	7.8
173.09584	9.7
173.11783	5.3
173.13237	7.7
174.10179	2.3
175.11174	18.3
175.14824	8.7
177.09058	10.6
178.09837	2.8
181.10046	3.4
183.11678	5.4
185.13242	16.9
187.11137	6.4
189.12683	10.7
191.14276	3.7
195.11716	4.6
197.13181	6.6
199.11186	6.7
199.14815	2.8
201.12740	8.1
203.14288	32.7
207.11873	3.1
207.13686	11.2
209.13246	5.3
209.15326	4.4
211.11166	2.8
213.12737	3.9
215.14276	6.6
216.15025	2.9
219.13748	5.5
221.13304	4.6
221.15327	100.0
223.14748	4.0
225.16333	2.8
227.14264	4.7
231.13710	2.4
233.15291	7.3
234.16100	10.0
274.19217	2.6
281.18921	5.3
286.19193	7.3
287.20007	6.8
299.19992	7.7
300.20816	3.5
303.19559	11.9
318.05743	2.2
347.23639	3.2
365.24808	12.9
383.25766	60.8
384.25897	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	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01858	5.7
56.96558	1.9
57.03426	1.8
61.02914	1.2
63.40172	1.2
67.05483	1.3
68.02168	1.1
69.03418	2.8
70.06566	4.3
71.51588	1.1
71.52002	1.4
79.05464	4.7
81.03424	1.5
83.01306	1.2
84.08133	1.0
85.02882	6.9
86.99460	1.1
89.03918	2.6
91.05459	3.8
95.01338	1.8
95.04948	3.6
97.02869	3.7
98.97567	1.4
101.02396	1.3
103.05430	5.7
105.07020	51.3
106.07291	1.2
107.04948	13.3
109.02859	1.2
111.04388	1.8
113.02336	1.4
115.03893	1.7
115.05454	11.4
116.98584	1.5
117.07004	3.6
118.04147	4.2
123.04430	7.0
127.03877	1.4
128.21310	1.1
129.06946	1.5
129.43538	1.1
131.04893	4.1
132.05663	2.1
133.05479	2.7
133.06480	53.0
134.02686	1.7
135.04393	1.9
135.73431	1.0
136.06158	2.9
137.05954	2.0
137.84010	1.1
140.04715	2.0
142.38986	1.2
143.04710	1.4
143.06033	4.0
145.06488	5.4
146.99628	1.1
147.04311	1.5
151.03917	6.9
155.07021	3.9
157.06403	1.4
159.04330	1.3
160.05151	1.9
161.05965	100.0
162.06358	2.2
163.03922	7.0
163.07761	1.3
165.10344	1.4
167.07022	24.6
167.53433	1.0
169.05013	1.4
171.04431	1.5
173.05995	3.9
175.03874	2.5
175.05966	2.1
177.05453	3.2
179.03545	1.4
179.06898	1.6
181.04915	3.1
183.06512	4.3
184.26421	1.1
185.05943	1.6
189.05449	4.0
190.06190	2.4
191.06966	2.5
192.07796	1.5
193.08583	62.2
194.08926	2.3
198.96925	1.2
201.05475	3.8
203.07033	1.8
205.08549	5.6
206.09239	1.3
207.06474	7.0
209.08044	2.0
214.02510	1.1
219.06531	4.2
221.08180	2.1
223.09689	2.1
229.04927	3.5
231.06474	6.3
233.04436	5.6
233.08026	5.5
235.06073	1.8
235.09665	1.3
236.03198	1.4
243.06493	1.2
245.08031	1.2
247.06052	1.8
249.07596	2.4
251.09140	24.6
252.07274	1.9
253.07539	5.8
259.06058	1.4
261.07556	13.1
263.09164	3.1
273.07532	1.9
275.09073	4.3
277.06924	1.6
279.08624	1.3
286.42404	1.1
289.07028	3.0
291.08475	1.8
293.10199	3.1
303.08612	1.8
307.08197	4.2
319.07858	1.2
367.10654	3.5
385.02029	4.6
385.11938	4.6
385.25372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.3
52.08210	2.1
53.03936	4.7
55.05508	18.1
57.03433	2.1
57.07052	8.7
59.04983	7.1
62.31502	1.9
65.03925	4.7
67.05180	3.1
67.05502	42.5
69.03420	18.1
69.07066	11.1
69.39205	15.1
69.39636	6.6
71.04977	7.7
72.90778	2.2
79.05490	29.0
81.03410	3.6
81.07057	36.9
83.04957	8.5
83.08591	3.2
85.06531	7.0
91.05472	40.8
93.07035	100.0
94.53742	2.2
95.04945	27.0
95.08603	43.6
97.06501	10.6
98.21490	3.2
100.63631	2.3
103.05436	3.7
105.04568	2.2
105.07019	86.7
107.04960	4.9
107.08575	43.7
108.37933	2.3
109.06501	24.0
109.10150	31.7
111.08086	12.8
115.05466	4.0
116.06220	2.3
117.07013	10.2
119.04933	2.2
119.08566	58.0
120.09340	4.9
121.06491	14.3
121.10137	43.9
121.33375	2.2
123.08059	32.1
123.11658	3.1
124.76301	2.0
125.09517	2.9
128.06197	8.4
129.07005	13.7
131.08574	34.3
133.06467	7.5
133.10109	28.3
135.08052	23.5
135.11661	6.0
137.09584	14.0
141.06972	4.4
142.07774	17.8
143.08549	21.0
144.09326	4.5
145.06506	4.2
145.10120	35.1
146.07224	3.5
147.08028	28.8
147.11674	20.9
148.08788	4.7
149.09595	27.2
151.07535	48.5
153.09077	4.5
155.08533	7.5
156.09300	9.1
157.10127	39.3
158.10840	2.3
159.07991	10.2
159.11659	16.9
161.09624	20.7
161.13229	11.0
163.11172	7.1
165.09102	51.2
168.09216	2.5
169.10081	6.4
170.10858	7.9
170.37892	2.2
171.11632	10.8
173.09560	9.2
173.11855	4.6
173.13127	11.7
175.11169	18.1
175.14764	7.8
177.09134	14.0
179.08548	2.5
181.10075	3.7
182.10907	3.4
183.11667	5.5
185.13272	16.7
187.11122	7.1
187.14767	4.9
189.12773	11.4
191.14348	2.6
195.11641	4.9
197.13216	7.4
199.11139	2.8
201.12686	7.6
203.14308	32.2
207.11934	3.3
207.13759	15.8
209.13301	4.9
209.15343	4.1
211.14832	2.6
213.12724	3.8
215.14317	8.0
216.15154	3.5
219.13766	7.7
221.13335	3.6
221.15346	96.2
222.15689	4.6
225.12683	3.4
225.16313	3.8
227.14307	5.2
231.13692	5.1
233.15285	6.7
234.16116	16.8
243.13792	4.3
251.11407	2.8
267.17358	3.6
271.16946	3.4
281.18985	7.1
286.19226	7.6
287.20084	9.8
299.19986	7.0
301.20151	2.4
303.19519	11.1
327.19601	2.4
347.23428	2.8
365.24460	12.5
383.25677	77.7
384.25812	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13474	2.9
53.03934	6.3
55.05500	12.1
57.03418	4.6
57.07056	9.7
58.84052	3.3
59.04996	6.8
65.03949	3.0
67.05183	4.0
67.05506	50.8
68.05850	3.3
69.03426	18.6
69.07053	9.2
69.89788	17.1
71.04986	6.3
79.05479	34.0
81.07046	44.9
83.04986	7.0
83.08615	6.8
91.05481	38.2
93.07033	100.0
95.04956	25.0
95.08595	47.8
97.06512	11.3
98.20828	4.4
104.18520	3.0
105.07022	79.7
106.91177	3.0
107.08584	45.1
109.06523	25.4
109.10160	35.6
110.46472	3.0
111.08074	10.3
117.07010	10.2
119.08572	59.0
121.06506	12.2
121.10130	40.3
122.07260	4.0
123.08057	30.3
123.11674	4.2
128.06213	7.2
129.06973	11.0
130.07771	3.6
131.08531	27.8
133.06462	8.9
133.10129	31.7
135.08046	25.1
135.11664	6.0
137.09589	14.8
141.06963	6.7
142.07751	23.5
143.08551	22.8
145.10117	35.3
147.08025	32.0
147.11665	16.8
148.08757	4.1
149.09613	20.9
149.99217	3.7
151.07521	38.7
153.09103	4.8
155.08559	7.3
156.09273	6.2
157.10126	40.6
159.08026	7.4
159.11650	16.9
161.09550	21.4
161.13235	7.7
163.11194	6.1
165.09099	39.6
169.10202	5.7
170.10847	6.7
171.11626	7.2
171.76826	3.3
173.09618	9.3
173.11761	6.3
173.13217	9.0
175.11140	18.6
175.14806	10.4
177.09140	12.6
183.11655	5.4
185.13214	19.1
187.11142	7.5
189.12717	10.0
197.13164	4.9
199.11176	4.5
201.12738	7.6
203.14284	28.7
207.13789	11.2
209.13243	5.4
211.10951	3.5
213.12625	4.1
215.14388	5.1
216.15028	4.1
221.15341	92.0
225.12778	4.5
225.16389	3.8
227.14304	5.5
233.15302	5.3
234.16125	11.3
243.13870	3.8
286.19446	5.3
287.19983	7.2
299.19965	4.2
303.19501	8.9
365.24683	10.5
383.20670	6.3
383.25735	53.0
384.26260	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01108	5.5
53.03939	9.2
55.05503	22.4
57.07072	10.4
59.04988	10.5
67.05502	54.0
69.03424	17.8
69.07043	14.8
69.94551	32.0
70.68675	5.1
71.04974	8.8
79.05473	40.2
81.07043	55.6
83.04986	12.5
83.08604	9.3
91.05477	44.6
93.07039	100.0
95.04965	28.5
95.08594	49.9
97.06529	15.5
98.21389	8.2
105.07020	83.0
107.08581	49.0
109.06490	26.4
109.10143	44.3
111.08076	14.0
117.07004	14.5
119.08579	56.6
121.06520	16.4
121.10110	43.8
123.08054	38.6
128.06204	14.8
129.06996	9.0
131.08540	23.8
133.06511	12.5
133.10109	36.3
135.08073	28.2
135.11676	10.0
137.09579	12.5
142.07785	27.9
143.08540	30.4
145.10107	49.5
147.08061	24.9
147.11696	20.1
149.09596	23.1
151.07533	58.1
151.75110	5.4
155.08496	9.6
156.09372	8.4
157.10088	39.3
159.08058	12.9
159.11691	14.7
161.09604	24.0
161.13261	13.2
163.11147	10.6
165.09126	41.2
170.10970	7.4
171.11655	7.2
173.09627	12.5
173.11809	10.6
173.13176	13.1
175.11198	32.2
175.14841	9.1
177.09198	11.6
181.10069	8.8
185.13283	23.8
187.11201	5.9
189.12775	12.5
191.14200	7.0
201.12802	7.6
203.14304	39.1
207.11905	5.8
207.13824	21.2
209.13293	8.2
209.15135	7.5
211.14720	6.2
215.14189	12.4
219.13791	6.4
221.13335	10.8
221.15332	86.0
233.15297	8.0
234.16197	7.4
243.13918	7.3
247.16891	7.3
258.31479	5.7
286.19330	9.5
287.20035	15.3
299.20007	9.1
303.19638	9.4
365.24738	19.9
383.25754	94.0
383.29895	4.2
384.26193	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03915	5.6
55.05495	22.9
57.03427	6.5
57.07051	7.4
59.04986	5.9
67.05499	70.9
69.03414	16.1
69.07062	8.4
71.04986	6.3
71.53143	6.8
79.05486	28.0
81.07045	49.1
83.04975	11.6
83.08627	6.9
85.06503	5.7
91.05465	48.3
91.38596	5.8
93.07034	100.0
95.04971	26.7
95.08608	43.0
97.06485	8.9
99.75900	4.7
100.90726	4.8
105.07019	74.1
107.08594	43.5
109.06525	24.0
109.10150	29.9
111.08069	8.8
117.07029	15.4
119.08560	49.1
120.09393	5.4
121.06491	16.9
121.10124	37.8
123.08059	28.3
128.06252	6.9
129.06987	14.9
130.07748	8.0
131.08615	29.7
133.06465	13.9
133.10132	35.6
135.08028	19.7
135.11728	6.3
137.09599	11.7
141.06940	7.9
142.07773	18.5
143.08524	29.9
145.10101	44.9
147.08046	28.7
147.11659	18.5
149.09573	27.0
151.07538	81.5
155.08530	7.8
156.09358	6.7
157.10127	43.6
159.08073	7.8
159.11708	18.6
160.08829	5.9
161.09628	16.2
161.13261	15.2
163.11191	8.4
165.09077	29.5
167.08516	7.5
169.10168	8.3
170.10822	8.7
171.11696	9.0
173.09656	11.4
173.11780	8.3
173.13263	12.5
175.11157	22.3
175.14774	15.9
177.09119	16.8
183.11595	7.4
185.13243	19.2
187.11130	7.2
191.10701	17.7
191.14430	5.2
201.12735	9.5
203.14275	32.9
207.13744	13.0
209.13214	8.6
209.15361	5.4
211.14810	5.4
215.14134	6.4
221.15323	65.4
234.16125	9.4
287.20059	10.1
299.20514	5.3
303.19565	5.9
365.24774	8.8
383.25818	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01863	12.9
55.05501	11.5
57.03424	9.6
57.07078	2.7
61.02917	8.2
65.03934	5.0
67.05498	24.5
67.07151	1.6
68.99783	8.3
69.03420	54.9
69.03777	3.9
69.07053	6.8
69.95415	1.7
70.06606	3.2
70.78071	5.8
71.01327	4.4
71.04984	7.6
73.02905	5.1
79.05481	29.5
81.03419	29.7
81.07046	51.1
81.07530	2.8
83.04976	9.9
83.08589	2.1
85.02894	44.2
85.03382	3.5
85.06551	2.6
86.09691	3.0
87.00821	27.9
87.04466	3.1
91.05473	36.0
93.07033	100.0
95.04955	20.0
95.08597	37.7
97.02885	28.2
97.06509	9.2
99.04447	9.6
103.03944	4.2
103.05436	2.6
105.01854	9.3
105.06303	3.8
105.07017	73.1
107.04939	11.3
107.08581	82.0
109.02856	17.7
109.06489	13.4
109.10145	21.6
110.07132	2.3
111.04437	16.5
115.03919	6.8
115.05416	2.9
117.01799	2.0
117.07009	11.8
119.04929	2.7
119.08568	36.9
121.06497	13.5
121.10120	38.8
121.10929	2.9
123.04425	10.5
123.08067	9.3
123.11694	9.4
125.05988	5.1
127.03917	16.3
128.06189	3.9
129.01820	6.6
129.06984	10.7
130.07809	3.3
131.04916	3.2
131.08548	21.6
132.57130	1.9
133.06454	7.4
133.10118	29.4
135.04381	4.4
135.08040	11.2
135.11681	50.0
135.12714	2.4
136.12039	1.9
137.05971	6.6
137.09596	6.7
137.13229	5.8
139.07457	2.6
141.05504	2.5
141.06976	3.6
142.07759	7.2
143.08524	11.7
144.09325	2.9
145.04947	4.7
145.06525	3.0
145.10107	34.7
147.02898	4.0
147.08011	7.7
147.11679	30.7
149.05989	3.8
149.09555	9.0
149.13257	8.4
151.07532	2.3
151.11154	8.2
153.05475	3.3
153.12721	4.3
155.08521	7.3
156.09320	4.0
157.10135	11.3
159.02892	4.9
159.08063	9.7
159.11671	21.6
161.03110	2.0
161.05995	2.5
161.09593	6.6
161.13220	4.8
163.07570	4.5
163.11154	38.3
165.12735	33.7
167.07039	3.2
167.08427	2.2
169.10078	4.5
171.02892	4.1
171.08037	3.3
171.11700	7.8
173.09612	7.4
173.13246	6.6
175.07530	2.9
175.08881	2.3
175.11162	15.7
177.09094	3.3
177.12718	21.4
182.10962	2.3
183.08040	2.9
183.11703	5.0
185.09601	5.3
187.11176	8.2
187.14789	2.5
189.03877	6.7
189.12747	10.9
191.14346	2.1
193.12285	7.6
197.13292	6.4
199.11157	2.8
201.03940	8.9
201.12746	7.7
203.10666	2.8
205.12256	7.7
207.06416	2.5
207.11813	2.6
207.13800	5.8
213.12752	4.7
215.14258	11.6
217.12257	2.0
219.13763	12.6
225.12755	7.8
231.04839	2.7
231.13815	4.1
233.15448	2.7
237.15103	2.7
243.13770	39.9
261.14832	55.2
279.15927	10.5
291.10153	2.5
297.16910	2.8
309.06046	2.1
327.07446	2.5
329.13583	2.4
337.10590	2.2
347.14813	12.7
365.15958	29.7
383.17099	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	6.7
55.01846	4.0
55.05505	16.4
57.03428	3.9
57.07073	16.9
59.04987	9.9
62.21386	2.8
65.03938	3.0
67.05496	51.5
69.03410	16.2
69.07046	9.5
71.04977	11.3
79.05480	34.0
81.03378	8.2
81.07048	44.4
83.04964	6.3
83.08599	7.7
85.06544	8.3
91.05470	57.3
93.07034	100.0
95.04947	27.5
95.08597	47.8
97.06516	11.6
98.21534	10.6
101.60678	3.1
103.05425	4.4
105.06312	4.8
105.07016	88.6
107.04897	4.0
107.08585	43.1
109.02872	4.5
109.06487	17.9
109.10139	37.5
111.08058	10.9
117.07027	8.6
119.08566	63.9
121.06485	17.5
121.10131	47.3
123.08047	29.5
128.06203	12.1
129.06990	10.4
130.07771	3.9
131.08559	31.7
133.06499	7.9
133.10118	33.8
135.08069	21.3
135.11644	9.2
137.05983	5.3
137.09619	15.0
141.07013	5.1
142.07753	18.3
143.08528	28.6
144.09315	3.9
145.10104	42.1
146.07330	4.0
147.08031	25.1
147.11676	15.5
148.08702	3.1
149.09630	24.3
151.07535	41.4
153.09113	3.1
155.08533	6.0
155.10544	4.7
156.09315	5.6
157.10107	37.9
159.08038	6.9
159.11690	17.4
161.09639	19.8
161.13254	10.3
163.11195	9.5
165.09100	50.3
167.08597	4.3
169.10094	6.1
170.10907	6.0
171.11682	7.2
173.09595	11.8
173.11720	8.0
173.13252	12.5
175.11154	22.9
175.14775	7.2
177.09076	14.5
178.09857	3.8
183.11668	9.4
185.13257	15.8
187.11209	5.9
187.14819	5.2
189.12727	12.8
191.14301	6.5
197.13232	6.5
199.14761	5.7
201.12752	9.1
203.14305	31.6
207.11830	4.9
207.13785	12.3
209.13307	5.3
209.15283	6.1
213.12689	5.8
215.14313	6.9
216.15009	4.2
219.13762	8.3
221.15335	93.6
222.15611	3.7
225.16219	3.8
229.12325	3.6
231.13721	3.5
233.15280	7.1
234.16153	13.9
243.13742	3.5
281.18985	3.2
287.19977	11.5
299.20062	6.8
303.19473	7.5
347.23514	4.3
365.24808	17.7
373.56522	3.2
383.25705	78.6
384.25674	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78983	0.4
52.60957	0.4
53.03928	0.5
55.01863	5.4
55.05504	5.5
57.03437	4.1
57.07062	1.1
67.05498	12.7
69.03416	0.5
69.07058	5.4
70.04279	2.4
71.04995	0.8
71.08630	0.5
79.05486	5.9
81.07049	29.4
83.04967	2.7
83.08620	2.6
85.61092	0.4
91.05466	3.8
93.07040	6.3
95.04951	0.9
95.08606	7.4
97.06511	2.8
101.09673	0.5
103.05424	0.5
105.07018	4.7
107.04934	0.5
107.08581	6.1
109.06517	11.5
109.10154	8.5
111.04427	15.8
111.08063	0.7
113.05994	0.9
117.07007	0.8
119.08578	6.5
121.10116	4.6
123.08018	2.7
123.11698	1.6
125.05978	7.7
131.08594	2.3
133.06496	0.7
133.10135	4.2
135.08046	2.4
135.11702	4.5
137.05963	100.0
137.09541	1.5
137.13242	1.1
138.06323	1.1
139.07535	1.1
143.08546	1.7
145.10118	1.6
147.04396	0.5
147.08029	1.7
147.11690	6.0
149.09630	4.2
149.13245	1.4
151.07561	3.1
151.11194	1.0
155.08479	0.5
157.10117	2.1
159.11653	1.5
161.09618	6.1
161.13272	2.7
163.11159	4.0
163.14764	1.0
165.09105	2.0
165.12733	1.0
167.10687	0.5
171.11722	1.1
173.11703	2.2
173.13109	0.7
175.11169	5.2
175.14751	0.9
177.12750	0.8
179.07037	2.0
179.10638	2.5
181.12247	0.9
189.12772	1.2
193.12260	1.1
203.17953	5.7
205.19530	0.8
207.06528	2.9
207.13857	0.9
213.12767	0.5
213.16333	2.9
221.18988	2.8
223.14671	0.8
231.17410	9.4
241.15858	1.0
249.18456	11.2
257.04517	1.2
258.05148	0.6
259.17044	0.6
277.17963	62.8
278.18338	1.3
286.04706	0.8
287.05460	1.5
295.19009	17.8
351.21530	4.7
383.06253	0.8
383.11127	5.5
383.14865	1.2
383.24216	12.8
384.11469	0.5
398.26895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38502	1.2
55.01863	1.7
56.96540	1.5
57.03419	3.1
61.02906	2.8
69.03419	8.5
70.02930	1.5
71.05001	1.5
71.25310	1.2
71.25644	2.0
73.02907	1.2
74.02445	2.2
81.03410	5.2
82.02951	1.3
82.99944	1.2
85.02899	31.5
91.05437	1.3
94.06580	1.6
97.02885	7.1
98.97541	1.5
99.04425	2.4
103.03957	2.1
109.02863	2.5
115.03959	1.3
115.05424	1.5
116.98575	1.4
118.06530	5.4
121.08271	1.2
127.03887	4.8
130.06517	56.9
131.07193	1.2
132.04434	15.9
132.08081	4.3
134.05988	1.8
143.07304	2.1
144.08064	23.0
145.05081	2.4
145.07587	20.3
145.08656	1.5
146.05960	8.9
148.07562	5.4
154.06490	5.2
156.06764	1.5
156.08031	3.7
157.07607	52.0
158.06001	46.6
158.08018	1.8
159.09172	10.3
160.07596	3.9
169.07550	6.1
170.05998	3.5
171.09167	8.2
172.07576	11.3
173.07133	1.4
173.10706	2.5
174.05469	6.8
175.08652	56.4
176.07076	2.5
176.09079	1.4
181.07559	3.5
182.08369	3.2
183.09149	17.0
184.07564	2.9
185.07054	9.5
186.05516	2.9
186.07784	2.4
187.08659	1.6
190.08453	1.4
196.07413	1.5
198.05466	1.5
199.08643	9.3
200.07027	17.8
201.10367	1.5
203.08136	100.0
204.06551	3.8
204.08339	1.5
206.67480	1.3
207.09123	2.6
209.07085	7.1
215.08145	2.9
216.06493	1.3
216.08923	3.2
217.09702	31.8
218.10133	2.0
221.09180	44.3
222.09338	1.5
227.08092	12.4
228.06514	3.0
231.07544	5.8
233.09259	1.5
245.09195	21.7
257.09213	2.4
263.10254	39.2
264.10480	1.8
266.08191	2.3
270.07553	1.3
275.98773	1.2
283.10690	1.6
293.09100	1.2
299.10086	5.7
301.11932	1.2
311.10315	2.2
329.11215	2.9
347.12280	8.3
348.10669	9.0
365.13419	30.2
366.13791	1.8
383.14526	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	383.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58836	1.3
53.03933	3.3
55.01855	6.5
55.05497	7.4
56.96542	1.6
57.03423	2.0
57.07070	2.3
60.52819	1.3
61.02908	1.7
65.03936	3.1
67.05502	8.8
68.61079	1.6
68.99790	2.7
69.03399	2.8
69.07066	3.0
70.06570	3.0
70.72193	3.0
70.72514	1.6
71.04928	1.8
77.03911	1.4
79.05485	21.3
81.02995	1.7
81.03404	8.7
81.07030	6.8
83.04959	3.3
83.08605	3.1
85.02876	6.3
85.90034	1.7
91.05466	12.9
93.03394	5.6
93.07037	7.6
95.04963	10.4
95.08575	4.1
97.02880	7.5
97.06503	2.1
100.11222	5.9
103.05435	3.6
105.03380	4.5
105.07021	6.0
107.04945	93.1
107.08587	4.3
108.05268	2.5
108.08110	2.1
109.02863	11.5
109.06480	4.3
109.10128	3.4
111.04456	5.1
115.05421	1.8
117.06937	2.1
118.06521	12.8
119.04933	11.7
119.08555	3.1
121.02874	9.2
121.06493	6.6
121.10161	2.3
123.04419	28.3
127.03917	1.8
129.06999	2.3
130.06497	4.1
131.04924	4.2
133.02811	4.6
133.06454	1.6
133.10086	2.1
135.04396	81.3
135.07986	2.0
135.11665	2.8
136.04736	3.9
137.02283	5.3
137.05930	2.2
139.03844	3.5
144.08067	7.7
145.02831	2.5
146.05986	34.4
147.04422	22.3
149.02339	6.2
149.05945	10.1
151.03896	5.6
152.13170	3.3
152.14316	39.4
153.01840	6.7
157.06522	2.0
159.04402	4.4
161.02367	7.5
161.05948	3.8
163.03876	5.8
165.01834	9.1
167.07014	2.7
170.05904	1.7
170.07199	2.1
173.05934	1.8
175.03899	9.8
176.04715	1.7
177.01849	6.8
177.05463	23.1
177.06934	2.8
178.07666	1.7
181.04926	4.4
183.02896	6.2
183.04376	1.7
184.11215	2.1
188.07074	23.0
189.01843	6.3
189.05414	2.5
191.03447	3.6
193.04948	10.2
194.05304	3.9
195.02870	21.4
196.16939	21.5
201.01807	2.8
201.09062	2.0
203.03371	27.0
203.08575	3.5
205.04930	42.8
205.06718	3.0
207.02878	17.9
210.14848	7.8
215.03322	2.1
217.04985	5.7
219.02852	3.7
219.08000	2.9
221.04443	26.6
221.08130	5.4
225.03925	9.0
229.08562	2.5
231.02859	86.3
231.07913	3.7
231.10048	3.2
232.03194	5.3
232.08783	2.1
233.04378	2.7
233.07936	11.8
235.07628	3.1
243.02890	4.8
245.04472	9.2
246.06859	2.5
247.07527	5.9
248.08273	5.4
249.03908	100.0
250.04224	4.6
251.09149	4.3
253.08505	2.1
254.17357	2.1
261.03854	17.6
261.09140	2.7
262.09891	2.2
263.06781	3.2
263.09021	8.0
264.07904	2.0
267.09067	1.9
273.03845	12.6
275.07050	2.5
276.07861	4.5
277.08563	2.3
278.05719	2.0
281.08127	2.3
285.10019	3.0
287.09137	17.1
291.04807	9.0
291.09882	8.0
292.07294	3.2
293.08002	6.6
307.09570	4.1
308.10251	2.2
309.06250	5.8
311.05508	5.1
317.10196	13.0
319.09531	2.3
321.07581	2.8
323.12735	6.9
327.07108	11.6
329.10181	7.3
336.10339	1.9
337.07062	7.9
337.10635	3.5
338.07761	2.0
339.08585	2.7
339.20551	21.0
347.05508	2.1
347.11166	10.2
351.12216	4.1
353.10120	4.2
365.06345	5.5
365.12210	31.8
368.12582	5.3
383.07236	7.7
383.11151	14.9
383.15588	23.9
383.23090	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	382.1705
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
57.07051	2.0
59.04992	2.4
69.07040	3.4
70.02935	2.9
71.26997	1.7
71.31535	3.4
72.04515	9.5
73.02905	3.6
81.03379	1.9
84.08089	2.2
85.02888	4.5
85.06528	4.9
86.09678	3.3
87.08093	1.7
90.05546	68.2
95.04946	3.9
97.02927	1.8
98.02377	8.2
100.03968	3.0
100.43042	1.5
103.07589	3.1
110.07145	2.2
112.17783	2.0
113.05972	1.9
113.60806	1.6
116.03445	9.8
120.08119	9.8
124.07576	9.3
127.03987	1.9
136.07516	2.7
142.08620	4.7
148.05893	1.7
163.37723	1.7
169.54573	1.9
176.04388	1.6
184.09673	11.8
195.62881	1.8
202.10709	24.7
207.11250	6.3
220.11789	100.0
221.12712	3.4
233.82904	1.5
290.98621	1.8
357.41962	1.6
383.09467	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	382.998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14908	0.3
54.98640	0.3
56.96559	9.5
71.51649	0.4
71.95265	2.1
91.05779	0.3
98.97572	59.7
99.97874	0.3
109.60196	0.2
116.98608	64.8
117.98994	0.4
121.11852	0.2
134.99641	54.3
136.00093	0.6
140.00180	2.1
153.00697	10.0
158.01248	3.6
174.97650	0.4
176.02264	0.5
177.00966	1.1
178.01198	0.2
179.00644	0.4
180.96912	0.2
181.97325	0.4
192.00351	0.2
192.98723	0.9
198.97722	0.4
216.98724	1.0
217.98831	0.3
218.03580	0.3
219.01932	1.9
220.02158	0.7
221.01889	0.6
232.96663	0.4
234.99844	4.1
236.00047	1.1
236.99780	0.4
240.98625	5.2
241.99026	0.5
250.97501	0.2
253.01013	0.7
258.03262	0.6
258.99750	56.0
259.99966	4.5
260.99991	0.5
261.03033	1.4
262.03174	0.6
263.02930	0.6
264.98840	0.3
274.97656	1.1
275.97922	0.3
277.00793	100.0
278.01001	7.5
279.01056	1.1
282.01318	3.6
282.99911	6.2
284.00082	2.5
284.99753	0.6
291.02444	0.4
292.98819	0.5
294.62051	0.2
295.01953	1.3
298.97647	0.6
299.98532	0.3
300.02383	6.3
301.01004	12.4
302.01068	5.5
302.97742	0.3
303.00644	1.7
310.47580	0.3
316.98990	0.7
317.98889	1.0
318.98688	0.4
319.01950	1.1
320.02213	0.5
324.02570	0.4
325.02612	0.4
340.02078	0.3
341.01947	0.5
343.02356	0.4
359.01468	3.4
360.00327	0.4
377.02585	1.5
382.99997	1.0
383.04266	0.4
401.00894	6.4
402.00916	1.1
403.00864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	11.9
57.07062	13.2
62.01054	2.6
63.08232	2.3
67.05504	17.9
69.07061	18.3
69.40667	24.5
71.08622	12.4
79.05475	10.2
81.07048	44.3
83.08624	12.6
85.10161	5.3
91.05471	18.4
93.07029	14.3
95.08599	33.8
97.10143	13.7
98.12174	3.0
105.07030	26.5
107.08573	14.1
109.10139	16.3
111.11720	7.4
115.30474	2.2
117.06996	11.2
119.08547	11.3
121.10138	9.4
123.11701	9.8
125.13248	4.4
129.07005	3.1
131.08569	12.5
133.10118	23.5
135.11697	3.7
143.08484	3.8
144.09363	3.2
145.09045	4.7
145.10109	44.6
147.11659	21.6
157.10129	7.6
159.11684	37.1
161.13194	4.2
165.16449	3.4
173.13177	14.5
175.14780	4.1
176.97337	3.1
185.13158	3.3
187.14867	4.5
199.14828	6.5
201.16499	4.7
213.16440	4.9
227.17975	4.4
233.22641	6.0
241.19534	7.1
255.20996	5.3
261.25677	3.5
350.47348	2.8
381.35162	100.0
382.35965	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1328
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.81876	0.4
59.49405	0.4
63.28680	0.4
67.05505	0.7
70.05816	1.5
79.05502	0.5
81.07044	0.7
91.05389	0.4
93.06990	0.4
126.38956	0.4
147.04427	0.7
179.08559	0.6
186.97531	0.4
189.07014	0.9
191.08485	0.5
193.10117	0.4
202.07832	0.9
203.08514	1.4
204.09218	0.7
205.06439	0.5
206.07227	0.8
207.08069	2.4
208.13344	0.4
215.08669	1.1
216.09399	0.7
217.06456	0.6
218.07312	2.7
219.08018	1.6
220.05214	0.5
220.08824	0.5
221.09525	0.5
222.10402	0.4
230.07118	0.7
231.08017	3.7
232.08801	3.0
233.09451	0.6
234.06668	3.1
235.07477	5.3
237.05475	0.8
244.08827	0.6
245.05908	1.6
246.06805	2.2
247.07484	3.7
248.04807	0.5
248.08316	1.5
249.05414	0.7
249.06613	0.5
249.09021	3.0
250.09872	1.0
252.07906	1.3
259.07492	2.7
260.08313	6.8
261.09064	2.7
262.06219	3.7
262.09732	0.6
263.07010	10.0
264.07739	2.5
265.04959	0.8
265.08514	0.6
267.10144	0.7
273.05429	0.9
274.06244	2.5
275.06912	3.1
275.10229	0.4
276.04025	0.4
276.07770	1.5
277.08539	5.2
278.06296	0.6
278.09290	3.6
279.06476	1.5
279.10007	0.7
280.07166	2.3
284.06732	0.6
287.06927	0.6
288.07742	3.3
289.05783	0.5
289.08514	2.4
290.05679	1.1
290.08942	0.9
291.06519	9.0
291.09793	0.7
292.07355	2.5
292.10373	0.6
293.04611	0.5
293.08078	0.8
293.11597	0.7
295.09586	1.4
302.05627	0.5
303.06702	0.8
303.09961	0.6
304.07394	0.5
305.08023	8.2
306.08807	12.8
307.06183	0.9
307.09598	3.6
308.06793	6.5
308.10190	0.4
309.07663	0.5
316.07224	0.9
317.08038	1.2
319.06131	2.5
319.09406	0.7
320.06732	2.4
320.10477	2.2
321.07632	0.8
321.11145	8.3
322.08401	1.2
322.11758	0.7
323.09100	7.2
324.09491	0.7
333.07608	1.9
333.11197	0.6
334.08337	3.4
335.09079	10.3
335.13040	0.6
336.09665	0.8
337.10580	0.5
338.11365	1.2
348.09958	0.6
349.10696	11.1
350.11420	4.9
351.08603	17.9
352.08661	1.0
353.13953	0.7
366.10922	13.1
381.13306	100.0
382.13708	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	381.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
54.65427	0.5
55.01858	2.3
55.05487	1.8
57.03428	1.3
57.61581	0.5
59.04996	1.0
61.02909	0.5
67.05482	2.4
69.03422	8.1
69.07057	0.9
71.04972	2.4
71.52997	0.7
75.97240	0.5
79.05473	2.3
81.03410	10.7
81.07070	3.9
83.04945	0.9
83.08578	0.5
84.08147	0.6
85.02881	1.7
86.09672	0.5
89.03903	8.4
91.05473	3.1
93.07031	2.2
95.04956	1.6
95.08591	1.8
97.02877	12.5
97.06490	0.6
99.04443	16.4
103.05469	0.7
105.07018	1.4
107.04952	1.0
107.08574	2.5
109.02866	20.1
109.06504	1.5
109.10171	0.7
111.08061	0.6
117.03365	23.3
117.06970	0.7
118.03725	0.7
119.08554	1.6
121.02840	0.8
121.06474	1.3
121.10110	1.2
123.08062	0.7
124.07543	1.2
127.03905	25.0
131.08536	1.0
133.10121	0.8
134.03619	1.3
135.04401	2.4
135.08002	1.4
135.11577	0.7
145.02824	51.6
145.10011	1.0
146.03139	1.3
149.05956	8.0
159.07947	0.6
163.03865	0.6
169.04956	0.7
173.09552	0.6
177.05449	100.0
178.05780	2.3
186.05499	1.9
187.05966	1.7
195.06435	1.1
235.16896	0.6
249.07526	4.2
261.18445	1.1
271.16882	0.7
289.17981	2.4
309.07657	0.5
321.09662	3.2
336.30533	0.6
363.10718	1.0
381.12903	2.8
381.22519	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1328
Annotation	Robustic acid
Peak:m/z	Relative Intensity
55.05498	0.8
57.03413	0.6
67.05491	1.0
68.07627	0.3
69.07065	0.4
70.18703	0.7
75.84465	0.3
79.05479	0.8
81.07047	1.1
91.05468	1.0
93.07019	0.9
95.04939	0.9
95.08587	0.8
97.06510	0.5
102.05773	0.4
105.07008	1.0
107.04951	0.5
107.08559	0.4
117.06959	0.3
119.04928	0.3
119.08560	0.4
121.02853	0.7
121.10111	0.5
131.08606	0.4
133.10170	0.6
135.08014	0.4
157.44272	0.3
173.09621	0.6
177.05498	0.6
178.07698	0.6
179.08589	0.8
189.06955	1.1
189.12816	0.4
190.07800	0.6
191.08578	0.4
202.07768	0.7
203.08572	1.4
204.09315	0.4
205.06570	0.6
206.07227	1.3
207.08043	2.1
215.08533	0.6
217.06509	0.8
218.07150	1.7
219.07993	1.3
220.05269	1.0
221.05869	0.4
224.08170	0.4
231.08014	3.1
232.08826	3.3
233.06017	0.7
233.09555	1.1
234.06715	2.2
235.07494	5.4
236.08167	0.8
237.05396	0.6
243.07938	0.4
244.08507	0.4
245.05917	1.7
245.09769	0.4
246.06705	1.7
247.07513	3.3
248.04666	0.6
248.08302	0.8
249.05443	0.7
249.09129	1.6
250.09875	0.5
251.07068	0.5
252.07765	1.5
259.07520	2.9
260.05273	0.5
260.08298	7.3
261.09039	2.9
262.06293	2.8
262.08685	0.3
263.06995	9.0
264.07700	2.3
265.05103	0.4
265.08398	0.6
267.06583	1.2
267.10004	0.8
268.07336	0.6
273.05450	0.8
273.09381	0.4
274.06223	2.8
274.09561	0.7
275.07077	3.2
275.10172	0.5
276.04236	0.4
276.07742	1.4
277.08514	5.8
278.09372	2.8
279.06519	1.1
279.09796	0.5
280.07220	2.8
280.10013	0.6
284.06824	0.4
287.07065	1.0
288.07727	3.3
289.08456	3.3
289.17776	0.7
290.05688	1.1
290.09262	0.9
291.06534	9.3
291.10083	1.3
292.07224	2.0
292.10587	0.7
293.07944	0.6
293.11502	0.8
295.09653	1.6
296.06763	0.4
297.07458	0.6
303.06357	1.0
303.09912	0.9
305.08032	7.0
306.08792	12.3
307.05896	0.9
307.09586	3.0
308.06769	5.3
316.07217	0.7
317.08051	1.4
319.05978	1.6
319.09592	0.9
320.06717	1.9
320.10443	2.4
321.07581	1.0
321.11078	7.8
322.08270	1.2
323.09079	6.4
325.06998	4.0
331.09775	0.6
332.10349	0.5
333.07462	1.7
334.08279	3.3
335.09076	8.4
336.06201	0.8
336.09717	0.6
337.10818	0.5
338.11490	1.2
348.09970	0.9
349.10629	8.3
349.14661	0.7
350.11523	2.7
351.08578	16.7
352.09067	0.7
353.13879	0.4
366.10910	13.0
367.11389	0.7
381.13284	100.0
382.13623	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	377.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.1
57.07076	11.6
59.28650	5.8
67.05495	29.3
69.07050	47.5
71.52890	10.3
79.05484	44.1
81.07046	59.0
83.08619	10.2
89.06018	6.4
91.05470	50.9
93.07036	77.0
95.04949	36.5
95.08601	59.6
97.06522	13.3
105.07018	81.5
107.08578	40.8
109.06523	10.8
109.10159	28.3
115.94833	5.7
117.07003	19.8
119.08570	100.0
120.92169	6.2
121.06505	21.9
121.10140	46.8
123.11683	16.9
128.06229	8.5
129.07031	8.6
130.07753	8.6
131.08546	25.9
133.10161	38.2
135.11674	6.7
137.13275	14.7
142.07761	22.1
143.08586	28.1
144.09357	6.9
145.10089	49.2
147.11679	21.0
155.08554	10.0
156.09337	11.2
157.10132	43.7
159.11684	38.4
161.09589	9.6
161.13217	13.7
169.10109	13.6
171.11732	17.7
173.13245	12.5
175.11191	7.7
175.14787	13.1
177.16379	13.3
181.10254	6.6
183.11664	14.6
185.13165	13.2
187.11195	8.8
189.16475	9.3
195.11961	8.6
197.13220	7.5
203.17804	7.5
209.13185	6.5
211.14806	10.6
322.50980	6.2
377.28363	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	379.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01852	0.6
55.05496	1.9
57.07057	2.4
59.04988	2.3
63.91433	0.5
65.03918	1.2
67.05477	3.2
69.07052	1.0
70.95959	0.5
71.03141	1.3
71.08614	1.0
78.14333	0.5
79.05473	3.4
80.19653	0.6
81.00920	0.5
81.07063	2.8
85.10175	0.7
91.05473	13.8
93.07035	17.6
95.04960	3.9
95.08615	2.7
105.04489	0.7
105.07020	22.4
107.08579	31.9
108.08907	1.4
109.06516	2.7
109.10148	2.7
119.04902	2.1
119.06019	0.7
119.08567	4.9
121.06481	8.0
123.04411	2.5
123.11638	1.3
131.08549	2.0
133.10110	49.2
134.10457	1.5
135.11674	10.9
136.11980	0.9
137.05957	2.0
137.09599	1.7
143.08490	0.7
146.07237	1.2
149.13428	0.6
151.11168	1.5
161.09598	22.5
161.15190	0.6
162.09932	0.8
179.10648	100.0
180.10980	3.2
197.11707	5.7
201.18518	2.0
227.14966	0.6
305.24704	0.8
347.25912	1.3
379.28693	1.8
379.33698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67716	0.6
68.23809	0.7
71.43135	1.5
72.40285	0.7
106.51337	0.7
110.50645	0.8
201.01602	2.4
201.46519	0.8
219.02669	4.2
224.44293	0.8
256.14417	0.7
381.07916	100.0
382.08279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55114	0.4
55.01854	0.5
55.05503	0.5
57.03418	1.1
63.02351	0.4
67.05478	1.4
68.23977	0.4
69.03413	0.5
69.07063	0.8
70.06586	1.1
71.52589	0.5
79.05500	0.7
81.03389	1.1
81.07040	1.5
82.53032	0.5
83.04945	0.5
83.08591	0.6
84.08103	0.6
86.09677	0.5
89.03913	4.3
91.05465	1.5
92.30753	0.5
93.07028	1.0
95.08574	1.0
97.02872	2.1
105.07021	0.9
107.08579	0.7
109.02865	1.4
109.10145	0.8
117.03370	16.4
117.06959	0.6
121.06527	0.6
121.10081	0.5
123.08036	0.6
127.03925	0.8
133.10161	1.1
134.03587	0.9
135.04407	1.1
135.07990	0.5
145.02834	43.9
145.10089	0.8
147.11674	0.5
149.05962	7.6
153.01831	0.6
163.03827	0.6
177.05453	100.0
178.05785	2.1
186.05515	1.4
199.14757	0.4
234.11356	0.5
261.07443	0.9
289.17911	0.8
358.98413	6.7
371.08511	0.5
375.99759	1.0
376.99374	5.7
381.09232	1.2
381.13751	1.1
381.22812	0.7
382.00073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03924	1.7
55.01856	0.7
55.05490	0.4
56.05019	0.7
57.03432	9.4
59.04977	0.9
61.02919	3.5
61.79704	0.5
69.03423	15.9
69.82908	2.5
70.06572	2.8
71.01338	3.0
71.04987	4.3
72.08121	1.3
73.02913	2.5
75.04459	2.7
79.07579	0.4
81.03410	4.2
81.07043	0.5
84.08105	1.4
86.09676	1.7
87.04445	1.0
91.05453	0.6
97.06461	0.6
98.21545	0.4
99.04445	6.1
102.83273	0.4
104.05286	0.5
107.04920	0.5
117.05463	1.4
120.08074	1.4
120.55441	0.5
123.04454	0.5
127.06184	0.4
127.08633	0.9
130.06500	0.8
137.05879	0.5
139.03876	1.3
145.07529	2.5
150.50092	0.4
155.08092	0.6
157.07523	0.9
159.09119	0.5
165.05431	0.7
170.07129	2.2
170.09180	0.5
172.08676	36.0
173.09053	0.9
174.10216	1.3
175.08685	0.8
180.07681	0.5
184.08714	0.6
190.09727	2.1
198.06578	6.6
200.08186	6.0
201.12340	0.7
214.09601	1.0
216.07660	19.3
217.08052	0.5
218.09428	1.5
229.08414	0.6
231.10176	0.8
243.08748	77.7
244.07036	1.1
244.09142	1.6
253.10086	0.6
257.12802	0.6
271.05685	0.5
359.13577	3.5
377.14511	100.0
378.14868	2.4
380.07095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.24706	0.6
53.03931	0.6
55.05499	0.6
57.03416	0.6
58.51972	0.6
60.93890	0.5
67.05489	0.7
68.99775	0.6
69.03419	3.2
69.07066	1.0
70.06583	4.2
71.04957	0.9
71.26182	0.9
71.26525	1.1
72.08157	1.2
81.03410	2.6
81.07040	0.8
84.04531	0.9
85.02895	2.0
86.09697	65.5
87.10027	0.8
91.05467	1.6
93.07015	0.9
95.04983	0.8
95.08575	0.6
97.02877	1.0
98.97558	1.7
99.04446	1.2
101.17136	0.5
105.07020	0.7
107.04923	0.7
107.08595	0.7
109.02857	2.0
111.04458	0.8
112.07607	0.6
115.05431	1.0
116.98629	0.6
117.05827	0.7
118.06531	11.7
119.17416	0.5
120.08086	1.5
123.04436	1.0
127.03900	2.3
130.06502	2.1
132.08086	7.6
133.10114	0.6
139.03902	5.0
142.06516	1.7
143.07291	1.3
143.11783	39.8
144.08078	8.8
145.10110	0.8
146.05992	48.0
147.04341	0.6
147.06364	0.7
151.03850	0.6
159.09161	18.3
160.07625	0.6
160.09464	0.5
161.06029	0.7
163.03896	2.0
170.06000	3.9
171.02922	0.8
171.11269	7.3
187.08711	0.7
188.07045	100.0
189.07370	2.1
204.17436	0.7
205.09702	48.7
206.10046	2.0
219.01753	1.0
222.18459	0.8
224.07130	2.7
237.02800	1.3
287.05331	0.7
307.10571	2.1
318.18027	1.0
329.06537	0.9
357.13867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
55.01852	3.5
55.05505	1.3
57.03434	2.7
61.02920	5.7
61.32808	1.0
67.05479	2.8
68.99776	7.6
69.03408	3.1
69.07055	1.4
70.06152	1.1
70.06488	5.3
71.01335	2.2
73.27319	1.1
75.02365	1.0
79.05465	4.0
81.03403	4.0
81.07045	3.4
85.02898	5.8
87.00328	1.3
87.00806	7.3
89.60977	1.1
91.05476	5.2
93.07011	1.4
95.04943	2.6
95.08598	2.9
97.02872	3.4
98.21430	1.9
99.04431	2.1
100.21900	0.9
103.05437	3.1
104.22717	1.0
105.01828	1.2
105.07004	3.0
107.04945	2.6
107.08575	1.8
109.10127	1.8
110.01925	1.2
111.04428	2.3
115.05443	8.8
116.06251	1.2
117.06969	3.5
119.08585	1.7
121.06482	1.4
123.04385	1.4
123.22933	1.1
128.06212	6.9
129.01833	5.1
129.06984	6.2
131.04866	3.5
131.08511	1.4
133.06441	1.5
137.02304	1.8
137.05978	4.2
141.06969	11.0
142.07701	1.8
143.04916	2.4
143.08534	2.9
144.05670	11.7
145.06500	5.6
145.10103	1.5
147.02878	1.2
147.04413	2.1
147.08023	1.4
148.05141	2.9
149.09572	1.4
151.03790	1.1
151.07521	1.7
152.06180	4.7
153.06969	3.9
155.04826	2.6
155.08559	1.8
157.06473	5.3
157.10139	1.9
158.07225	13.2
159.04326	2.0
159.08052	5.3
160.05150	3.9
161.05962	24.3
161.09573	1.5
162.06715	3.7
163.07597	2.5
165.06992	4.5
166.07707	1.5
167.08530	8.4
168.05589	1.1
169.06461	8.7
170.03575	1.0
170.07260	4.4
171.02975	1.4
171.04379	3.8
171.08014	6.3
172.05200	6.3
173.05946	2.5
173.09561	3.9
174.06769	5.3
175.03876	1.8
175.07544	15.1
176.08250	1.7
177.05516	1.7
177.06961	1.4
177.09103	7.4
181.06421	3.5
182.07179	2.0
183.07994	2.2
183.11696	1.2
184.08821	3.1
185.05966	5.4
185.09598	3.1
186.06705	9.9
187.07521	39.2
188.04669	4.4
188.08301	2.3
189.05399	8.7
189.09024	10.2
190.06248	3.0
191.06950	8.4
191.08354	1.2
192.08514	1.6
194.07314	1.6
195.08034	13.6
196.08829	2.2
197.05878	5.1
198.06677	3.8
199.03886	4.4
199.07468	6.6
199.11166	3.1
200.04666	1.9
200.08231	1.8
201.09076	65.6
202.09683	2.4
203.07027	2.2
203.10597	5.5
204.07826	1.4
209.09583	2.1
211.07506	3.4
212.08237	4.8
213.05408	2.0
213.09062	11.5
214.06207	10.6
215.06935	2.4
215.10652	6.3
217.04907	14.3
217.08496	2.6
223.07523	3.5
225.09062	1.5
227.06955	3.0
227.10646	35.9
228.10994	1.6
229.08575	12.4
230.08960	1.1
231.10184	10.8
232.07278	27.2
237.09119	2.9
240.07784	2.0
241.08600	1.8
243.10138	2.9
245.08014	2.0
245.11644	5.1
255.10101	31.9
256.10474	1.2
258.08887	1.3
261.11160	1.5
267.06610	1.7
273.11179	100.0
274.11502	2.8
291.12195	5.5
297.10901	1.3
299.09024	1.5
334.11047	1.7
359.11008	1.4
377.11819	3.8
377.20490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.8
55.05485	5.6
56.96564	38.9
57.03424	11.5
59.41452	5.4
60.04511	8.7
61.02903	11.9
69.03412	39.9
69.07039	8.1
70.06581	30.4
71.51782	4.9
72.08140	24.1
73.02906	8.3
76.43615	4.9
79.05444	5.6
80.22101	4.9
81.03407	23.6
83.04992	5.0
84.04498	44.9
84.08134	43.8
84.96030	5.3
85.02900	100.0
85.08465	12.7
86.09704	77.3
87.10033	8.0
88.03986	11.6
89.03925	6.8
91.05463	29.1
95.04955	12.5
97.02876	36.1
98.97568	43.0
102.05563	12.3
105.07045	14.3
107.04940	25.8
108.08098	6.7
109.02870	11.6
110.47981	4.8
110.97552	6.9
111.04409	9.3
112.07576	7.1
116.98589	24.7
119.04932	17.0
121.06455	10.3
123.04431	10.8
127.03880	30.1
128.98596	9.4
129.10240	22.3
130.04974	8.5
130.08626	9.4
130.10571	8.8
132.08043	5.2
133.01651	6.2
133.06480	12.8
134.04495	8.8
134.99661	15.6
135.04402	14.7
136.07555	51.3
137.05954	31.3
139.03885	25.3
145.04915	27.9
146.99612	8.4
147.04425	8.9
147.07657	7.3
148.06026	12.1
148.07596	6.0
150.09105	10.2
151.07565	20.5
158.99648	7.3
160.07629	9.0
161.04738	6.4
161.05951	29.7
163.03902	30.5
177.00648	14.6
178.08636	42.8
179.06970	17.1
189.00746	5.9
196.09688	60.0
201.12338	14.6
202.81805	6.3
214.10710	27.7
215.02159	6.7
215.13925	15.8
219.01759	14.3
229.11775	13.7
237.02803	25.3
243.13251	9.0
244.09200	6.3
245.07854	9.3
263.08441	6.5
295.57245	5.9
309.08575	7.3
358.14743	15.0
376.15781	20.3
376.23080	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	375.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.1
57.07063	6.9
62.04714	1.5
67.05495	4.9
68.72288	1.5
69.07064	34.9
71.08614	2.3
81.07043	7.8
83.08601	8.9
85.20744	1.4
89.56882	1.4
93.07029	5.9
95.04974	1.7
95.08590	3.1
105.07040	4.3
107.08574	4.6
109.10139	4.6
119.08553	4.6
121.06472	2.9
121.10162	7.5
123.11779	2.3
131.08534	2.9
133.10132	2.9
135.11673	1.8
142.48930	1.5
145.10143	3.7
147.11679	2.6
155.08508	1.8
157.10112	10.3
159.11708	5.7
169.10146	3.7
171.11687	2.5
173.13246	1.5
181.10120	2.1
183.11659	3.9
193.10167	2.7
195.11716	6.2
197.13272	3.2
207.11667	4.4
208.12482	2.5
209.13261	9.5
211.14853	3.0
220.12350	2.1
221.13310	2.6
222.13879	2.3
223.14880	6.5
232.12231	1.6
235.14784	9.4
249.16357	22.6
250.17163	9.5
251.17888	9.7
267.23846	1.8
277.19507	1.9
291.21005	3.0
375.26968	4.8
375.30484	100.0
376.30911	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	376.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57305	2.5
53.03936	7.2
55.01853	10.9
57.03424	5.9
61.02909	5.7
61.44909	2.6
68.99769	3.8
69.03429	30.9
70.00145	2.7
70.06583	9.0
70.92250	8.8
71.05003	5.3
72.08144	8.8
73.02911	10.5
81.03410	31.9
84.04490	11.4
84.08141	2.8
85.02901	100.0
86.09690	12.5
87.00813	35.2
88.03996	4.5
91.03883	4.6
97.02879	49.1
99.04430	16.2
99.05073	2.5
102.05541	8.5
102.27832	2.8
103.03908	3.6
105.01859	39.9
108.04479	6.4
109.02875	33.1
110.07169	5.2
117.01870	4.0
126.05527	3.6
127.03909	92.1
129.01828	5.4
145.04944	57.5
147.02872	4.6
148.06027	8.3
150.60234	3.0
159.02878	30.5
163.03929	6.7
176.05791	3.2
177.03979	2.8
177.05466	3.1
201.12415	3.9
213.03976	4.7
229.11703	3.5
231.04898	19.5
252.11414	2.9
376.16467	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	375.1258
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.42151	0.4
69.03407	0.8
69.18873	3.9
69.54546	0.4
70.06570	1.9
72.08139	1.6
79.45070	0.4
81.03382	0.8
84.04492	0.4
84.08119	1.3
85.02881	0.5
86.09692	4.7
97.02882	0.6
107.43784	0.4
110.05017	0.4
120.08069	0.6
122.52589	0.3
123.04395	0.4
127.03883	0.4
137.05948	0.5
151.03845	0.4
159.11388	0.3
162.99976	1.0
177.05432	0.4
178.05769	0.6
199.02139	1.3
199.09384	9.2
225.08942	0.4
241.10501	1.2
261.73117	0.4
375.12561	100.0
376.12909	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.34447	0.3
55.01862	1.0
55.05494	0.6
57.03431	0.3
58.09125	0.3
61.02909	0.4
64.09015	0.3
68.33498	0.3
68.99784	0.4
69.03426	2.3
69.07043	0.5
70.06567	1.1
70.84494	0.8
71.04980	0.5
72.08150	3.9
73.02900	0.7
74.06095	0.3
81.03419	3.5
84.04496	1.2
84.08127	1.7
85.02901	3.8
86.09705	7.6
87.00814	2.1
87.04422	0.4
87.10030	1.2
97.02874	1.8
99.04442	0.8
105.01861	1.0
109.02856	3.3
109.20592	0.3
116.07082	0.5
117.01857	0.5
123.04416	0.6
127.03908	100.0
128.04240	1.3
129.10245	1.1
130.04976	0.5
139.03899	1.4
141.10207	0.4
143.11812	0.9
144.06517	0.5
145.04947	1.0
147.02849	0.4
151.03918	0.5
153.05406	0.3
159.02888	1.4
163.03851	0.7
171.11354	0.4
177.05460	0.4
199.17964	0.4
200.13947	1.2
200.18431	0.7
205.11850	0.6
231.04814	0.4
232.11787	0.7
244.12607	0.3
244.44025	0.3
375.12473	1.2
375.16479	0.9
375.23401	0.4
391.92041	0.3
397.62930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1069
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.84954	0.4
58.23228	0.4
65.03951	0.4
67.05492	1.0
68.99792	0.4
69.03423	0.5
69.54008	0.9
69.54422	2.7
77.81042	0.3
79.05465	1.0
81.03408	0.6
81.07032	0.6
83.01311	0.7
85.02897	0.5
89.79967	0.3
91.05471	0.4
95.04964	1.3
97.02863	0.5
97.06504	0.6
98.21491	0.8
107.04948	0.6
109.02838	0.5
124.05178	1.8
139.03862	0.7
145.17813	0.4
151.03844	0.7
152.04684	4.0
153.05481	0.7
154.06226	2.6
163.03894	0.6
165.01819	4.5
165.05495	0.5
167.03348	2.1
179.03349	1.1
180.04156	6.4
181.04933	55.6
182.05217	1.0
185.00824	0.4
199.07474	0.7
209.00824	1.0
216.07748	0.5
219.06454	1.2
221.08099	0.7
224.03133	1.8
227.07033	0.7
237.07549	0.8
243.06578	0.9
244.07320	1.1
247.05899	1.0
255.06549	1.3
259.09402	0.4
271.06030	0.7
272.06720	1.8
275.05469	1.2
283.05975	4.4
287.09122	2.5
288.06360	0.5
289.06995	3.6
299.05453	1.0
300.06339	1.3
301.07083	0.8
311.05426	0.6
315.08563	7.0
317.06461	2.2
327.05069	1.6
328.05740	10.4
328.09439	0.9
329.06458	0.7
331.08081	6.6
332.08609	1.3
342.07257	0.7
343.08060	18.4
344.08624	0.8
345.06161	1.1
360.08331	14.0
375.10696	100.0
376.11163	2.3
395.02014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	56.1
55.30098	12.0
62.06083	23.8
67.05500	100.0
69.07064	51.1
69.80689	40.1
69.81103	47.1
71.04997	88.2
79.05496	74.4
79.05885	14.8
81.07053	67.2
83.08617	17.4
83.26424	14.5
91.05477	57.5
93.07038	66.5
95.08600	53.3
96.13014	14.1
97.06511	17.0
97.10158	45.9
98.21428	16.9
102.73030	14.7
105.07027	55.1
107.08586	71.8
109.10149	59.4
119.08592	31.0
121.10145	43.4
125.09590	25.1
131.08571	34.6
133.10136	32.4
135.08064	20.8
135.11671	27.5
145.10060	29.1
151.07608	19.4
173.11755	83.6
179.10756	17.6
187.13297	59.7
187.41476	16.1
203.12706	35.4
221.04597	14.4
241.18022	40.0
275.20099	29.3
289.21497	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	375.0708
Annotation	Melinervin
Peak:m/z	Relative Intensity
54.19839	0.5
55.01874	1.2
55.05509	0.8
55.77632	0.4
56.36755	0.4
57.03443	0.6
63.79624	0.5
67.05502	1.0
68.99792	2.2
69.03427	3.9
69.07059	0.8
69.87856	2.7
70.06595	0.6
73.02919	0.6
73.18009	0.5
79.05487	0.7
81.03407	2.5
81.07056	1.3
83.04988	0.9
84.08137	0.7
85.02898	2.9
86.09678	0.5
91.05479	1.2
93.07040	1.5
95.04955	1.1
95.08601	1.1
97.02896	1.6
97.06515	0.7
99.04469	0.8
105.07056	0.9
107.04974	0.6
107.08601	1.1
109.02875	1.9
109.10152	1.1
111.04401	0.7
117.27824	0.5
119.08600	0.9
121.10119	0.5
123.04441	0.4
125.02397	0.8
127.03903	3.2
128.06319	0.5
133.10107	0.8
138.03154	0.6
139.03905	0.8
149.09583	0.5
151.03906	0.6
153.01816	12.6
153.03014	0.9
153.05453	4.3
155.24060	0.4
157.06480	0.5
157.10060	0.6
160.01549	0.7
161.05992	0.5
162.03162	2.2
167.07034	0.9
171.02866	0.5
177.05453	4.0
179.03365	0.5
181.03633	0.5
181.04944	2.7
185.05959	0.8
193.04979	1.1
195.06506	0.8
197.05971	0.6
199.03871	0.5
201.05351	0.6
212.04666	0.7
213.05447	1.8
214.06198	0.6
215.07152	0.9
216.04266	0.8
217.05058	0.5
221.04449	1.4
222.02881	0.5
225.05505	0.7
229.04982	3.9
230.05701	0.9
237.05481	0.9
240.04109	3.8
241.04933	11.6
242.05542	0.8
245.04427	1.4
251.03404	0.5
252.04138	0.8
253.04996	1.1
255.06523	1.0
257.04437	8.3
258.05179	2.2
259.06012	1.4
265.04849	0.8
268.03653	15.4
269.04413	15.4
270.04984	1.1
273.04123	0.6
281.04541	0.7
283.05988	4.5
285.04007	2.1
286.04578	2.7
296.03113	2.8
297.03888	9.2
298.04700	8.1
299.05362	1.1
301.07089	2.0
311.05386	3.8
312.06213	2.2
313.03433	1.2
314.04169	44.6
315.04770	3.1
329.06512	100.0
330.06805	4.4
357.05991	1.8
375.07025	81.8
375.10526	3.7
376.07248	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	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01847	1.1
57.03419	0.8
58.46956	0.6
61.02908	2.8
69.03429	5.0
70.06565	1.7
71.27975	1.3
72.08144	0.9
73.08942	0.6
75.33701	0.7
79.75380	0.7
81.03387	2.4
85.02893	15.8
85.77843	0.7
86.09681	2.1
87.04444	0.7
89.03902	4.9
91.03936	1.0
91.05470	1.2
97.02868	3.9
99.04462	0.7
109.02833	1.1
117.03361	17.3
127.03908	2.3
128.82010	0.7
134.03601	1.7
135.04451	1.9
143.86240	0.8
145.02827	46.1
145.04938	3.1
149.05948	9.3
153.05475	1.2
162.03130	1.4
163.03833	5.2
177.05446	100.0
178.05771	2.6
180.08684	1.4
195.06506	43.9
196.06871	0.9
284.69196	0.8
375.12524	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.01860	2.0
55.05522	1.5
56.05027	1.7
57.03421	3.7
60.04489	1.3
60.49541	1.0
65.03944	1.7
69.03087	1.3
69.03425	15.8
69.07047	7.3
70.06589	6.3
70.65880	2.3
70.66245	2.2
71.04975	2.9
72.08137	3.0
81.03407	8.3
81.07035	1.1
83.01336	1.6
83.06074	1.7
84.04494	24.4
84.08130	4.6
85.02899	13.4
85.06496	1.2
86.06042	1.3
86.09700	100.0
87.00809	10.3
87.04449	2.3
87.10043	4.7
91.05474	67.6
91.07739	1.1
91.99440	1.0
92.05769	1.8
97.02889	23.4
98.97507	1.5
99.04450	7.1
102.05537	11.6
105.01874	6.2
107.04922	2.1
109.02863	4.1
110.07177	1.7
114.05485	1.8
116.07066	1.2
120.08071	2.7
123.04425	11.0
125.09565	1.5
126.09158	1.3
127.03906	24.7
129.06563	10.3
129.10236	1.8
132.10188	29.4
133.44662	1.0
136.07587	2.0
137.05974	3.0
138.09070	1.3
141.10196	1.1
143.03378	2.0
145.04938	17.3
147.04399	4.0
149.05910	1.5
151.07559	1.5
161.05908	2.0
163.03891	1.5
167.06956	2.7
170.11752	4.0
175.03909	2.6
177.05450	6.2
179.10617	1.1
181.05022	1.1
189.05450	2.9
196.71315	1.1
197.12842	15.6
197.14624	1.4
199.18068	4.1
201.05334	2.8
202.05730	2.0
205.04863	1.3
209.39584	1.2
212.12897	1.3
213.03949	1.7
215.13905	23.5
217.04869	3.1
222.07491	1.5
225.12209	3.3
231.05005	12.0
234.07599	2.8
243.13307	5.4
246.07530	1.4
249.06032	4.2
266.72702	1.5
339.08633	1.3
356.11871	2.1
374.18930	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01848	2.4
57.03424	2.4
60.04524	1.5
61.02919	2.3
65.03925	2.3
69.03425	14.4
69.22791	13.0
71.04980	1.3
71.47067	1.1
73.02906	4.3
81.03407	9.5
84.04495	3.0
85.02898	43.0
86.09696	14.9
87.00814	18.7
91.05473	100.0
97.02881	15.1
99.04440	4.8
102.05520	1.2
105.01855	29.4
108.04447	2.4
109.02859	13.4
127.03914	33.4
129.01764	1.7
131.35800	1.1
132.10193	6.6
132.39296	1.3
133.06496	2.0
145.04973	15.6
159.02914	6.0
171.08031	2.1
175.07565	1.4
189.03952	2.6
197.12764	2.5
215.13925	4.6
231.05005	7.8
243.13393	1.4
249.06067	2.3
379.90210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58533	0.2
55.05484	0.5
69.03419	0.3
69.07055	0.4
70.06565	0.8
71.05000	0.2
72.08136	0.4
79.05468	0.3
81.03414	0.2
81.07011	0.3
84.04472	0.9
84.08116	0.4
85.02882	0.3
86.09222	0.3
86.09698	4.2
91.05440	0.5
93.07016	0.3
94.50013	0.2
98.98454	2.5
98.99065	0.3
101.11522	0.2
102.05496	0.3
106.06572	0.2
107.08586	0.3
109.02883	0.3
111.04404	0.4
116.38770	0.2
118.06522	5.1
119.07132	0.2
120.08086	0.4
121.10111	0.2
123.09913	0.3
124.99987	10.1
127.03870	0.6
132.08069	1.6
132.10196	0.5
133.08823	0.8
134.09660	0.4
137.05922	0.2
143.01056	0.3
144.08060	7.5
145.08849	0.4
146.09618	1.6
148.11159	0.3
158.09631	3.2
159.10342	1.0
160.11137	0.6
162.09120	2.7
172.11206	2.5
174.12842	0.2
176.10770	2.1
176.14322	19.2
177.09013	0.5
177.11450	0.9
177.14630	0.3
190.12202	1.5
194.11726	0.5
197.12907	0.4
202.15883	46.0
203.16283	1.2
211.15167	0.3
213.03757	0.2
215.13885	0.9
220.16933	100.0
221.17264	1.9
235.06506	0.2
243.13423	1.1
300.13565	9.1
334.94443	0.3
356.16028	0.5
374.17212	14.0
375.17532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2282
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
56.05034	0.6
56.53801	0.4
60.04532	0.8
69.03417	1.2
70.06580	2.2
71.52677	0.8
72.08144	1.7
73.08484	0.6
81.03432	0.8
84.04495	3.6
84.08151	2.8
84.08552	0.4
85.02883	2.0
85.70631	0.4
86.09698	100.0
87.10027	1.1
88.32067	0.4
95.08601	0.5
97.02895	1.0
102.05505	2.2
107.04918	0.5
109.02877	0.4
109.06529	0.4
110.07115	1.2
111.04527	0.6
116.07072	0.6
119.14073	0.4
123.04408	0.9
127.03867	0.6
129.10219	1.7
130.05017	2.0
136.07584	0.7
144.73123	0.5
145.02876	2.7
147.04413	1.3
148.04848	0.8
148.06013	7.2
149.05989	0.9
156.14008	0.5
163.03870	0.7
177.05455	7.1
179.10660	0.5
181.04913	4.2
182.03793	0.8
182.05286	6.1
194.08145	0.9
195.06485	2.6
199.18036	31.3
200.18456	0.7
212.09114	0.6
213.07323	2.8
223.34941	0.5
227.17517	14.2
261.14413	7.8
315.05035	0.5
374.08041	0.6
375.12338	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	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91822	0.5
55.05500	0.6
56.05016	1.4
64.32143	0.5
64.76340	0.5
69.03416	1.3
69.07061	3.0
69.70181	3.8
70.06573	2.6
71.04981	0.5
72.08149	13.2
74.06052	0.9
81.03368	0.7
84.04497	10.0
84.08140	2.0
85.02891	1.8
86.09695	100.0
87.00800	0.8
87.10020	2.1
91.05459	2.6
97.02890	0.5
102.05531	6.0
105.01871	1.1
105.91444	0.5
110.07121	0.6
114.09143	6.7
120.06567	2.1
120.08080	1.0
127.03902	1.8
129.06599	1.1
129.10245	0.8
130.05019	2.0
132.10191	8.9
137.06004	0.7
142.08641	1.6
145.04964	0.8
154.06502	1.0
163.91095	0.5
170.11807	1.1
179.10690	0.6
188.07112	0.7
197.12831	5.7
215.13890	20.9
215.15959	1.1
225.12354	2.1
233.14984	5.4
243.13377	12.1
243.15749	0.7
253.29434	0.6
255.17076	1.3
261.14505	0.5
356.21820	1.9
357.14136	0.8
372.52908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04868	0.7
55.01869	0.8
55.05495	0.8
55.72139	0.6
56.05018	2.6
65.03952	0.6
67.05487	1.2
69.03420	2.7
69.07061	8.5
70.06581	2.6
71.52837	1.1
71.99525	0.6
72.08148	1.5
79.05474	0.9
81.03419	2.7
83.04985	0.9
83.06109	1.3
84.04496	29.0
84.08128	2.2
85.02906	3.3
85.04836	1.0
86.06049	0.6
86.09697	100.0
87.00795	0.7
87.10028	4.3
91.05476	3.0
93.07029	1.1
95.04970	0.6
97.02874	2.0
99.04453	1.0
99.40300	0.6
102.05532	12.2
105.07021	0.8
107.04934	1.2
107.08583	0.7
109.02863	1.8
113.07104	0.8
120.08057	1.0
123.04408	3.2
125.09589	0.7
125.86997	0.6
127.03902	2.2
129.06573	10.2
130.05055	0.8
132.10187	29.8
135.04440	0.8
137.05933	1.4
139.03839	1.6
147.04413	1.1
151.03920	1.5
152.10706	1.1
163.03899	0.9
170.11723	4.5
172.08633	0.9
174.59805	0.6
177.05482	2.1
181.04810	0.8
185.12894	0.8
197.12842	20.0
198.13106	0.8
199.18018	2.0
202.05864	0.9
205.04865	1.0
207.02951	0.9
215.13885	30.8
216.14240	1.1
219.06465	1.2
225.12325	5.2
228.96364	0.6
234.07724	0.8
242.15068	1.1
243.08879	1.1
243.13239	7.3
243.15152	1.2
300.54230	0.7
356.21875	0.6
357.11737	0.8
374.18558	1.0
375.12918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91822	0.5
55.05500	0.6
56.05016	1.4
64.32143	0.5
64.76340	0.5
69.03416	1.3
69.07061	3.0
69.70181	3.8
70.06573	2.6
71.04981	0.5
72.08149	13.2
74.06052	0.9
81.03368	0.7
84.04497	10.0
84.08140	2.0
85.02891	1.8
86.09695	100.0
87.00800	0.8
87.10020	2.1
91.05459	2.6
97.02890	0.5
102.05531	6.0
105.01871	1.1
105.91444	0.5
110.07121	0.6
114.09143	6.7
120.06567	2.1
120.08080	1.0
127.03902	1.8
129.06599	1.1
129.10245	0.8
130.05019	2.0
132.10191	8.9
137.06004	0.7
142.08641	1.6
145.04964	0.8
154.06502	1.0
163.91095	0.5
170.11807	1.1
179.10690	0.6
188.07112	0.7
197.12831	5.7
215.13890	20.9
215.15959	1.1
225.12354	2.1
233.14984	5.4
243.13377	12.1
243.15749	0.7
253.29434	0.6
255.17076	1.3
261.14505	0.5
356.21820	1.9
357.14136	0.8
372.52908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.05493	15.0
59.04992	4.0
67.05496	29.8
69.03445	5.9
69.07053	16.0
71.52494	6.7
79.05472	29.4
81.07042	47.6
83.04948	5.4
87.04461	12.2
91.05464	54.5
93.07034	43.5
95.04955	51.1
95.08586	28.0
97.06509	15.5
98.96094	3.7
105.07019	85.8
107.04916	6.2
107.08582	28.8
109.06523	23.0
109.10140	14.2
111.08085	5.2
115.05450	10.6
117.06989	16.2
119.08569	81.0
121.06480	10.6
121.10116	24.5
122.38583	3.8
123.08056	5.8
123.11678	4.9
127.67690	3.8
128.06203	16.9
129.06973	25.1
130.07753	7.7
131.08551	32.2
132.77278	3.9
133.06453	3.9
133.10118	42.8
135.11734	6.0
141.06969	16.3
142.07788	21.5
143.08545	43.9
144.09320	8.1
145.10112	33.5
147.11656	13.2
149.09554	6.1
153.06931	7.4
154.07706	5.1
155.08530	19.4
156.09314	27.1
157.10104	44.6
158.10919	5.5
159.11607	19.0
162.44072	3.7
165.06995	9.6
167.08560	14.2
168.09348	5.7
169.10112	30.9
170.10759	8.5
171.11662	23.4
173.09601	6.4
173.13206	18.8
179.08516	24.2
180.09348	6.5
181.10135	24.1
182.10880	12.2
183.11696	22.5
184.12466	6.9
185.13217	8.2
191.08481	4.8
192.09334	10.6
193.10124	23.5
194.10873	13.8
195.11656	24.4
196.12474	4.9
197.13312	20.8
199.14885	11.9
203.08420	5.1
204.09261	7.1
205.10081	8.7
206.10870	14.4
207.11653	30.9
208.12346	7.3
209.13211	22.8
211.14830	11.8
218.10960	6.5
219.11684	20.2
220.12436	12.5
221.13251	24.0
223.14841	15.3
229.10149	6.2
231.11623	9.5
232.12523	9.3
233.13263	20.3
234.13934	8.8
235.14798	20.4
235.86862	4.6
237.16351	10.4
243.11700	6.7
244.12502	6.0
245.13135	8.3
246.14011	5.7
247.14684	11.6
248.15540	6.5
249.16418	19.6
250.17163	4.1
251.17986	12.1
253.19371	5.8
255.11572	4.4
258.13962	5.5
259.14771	8.1
260.15521	7.8
261.16327	14.5
263.17981	14.5
264.18674	7.5
265.19437	11.6
269.13132	4.6
273.16321	8.2
275.18018	15.9
277.19489	12.0
279.17966	4.1
287.17838	4.2
293.19141	5.7
299.17789	6.0
303.21021	5.2
317.18906	4.4
340.57379	4.3
345.25946	7.1
355.24289	10.0
373.25204	100.0
374.25491	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	374.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.4
60.45192	0.7
61.01143	1.2
61.52258	0.6
62.53887	0.7
63.20880	0.7
69.03417	0.9
70.06587	4.0
71.01341	4.4
71.52026	1.0
72.08132	2.1
73.02914	5.6
75.05541	0.7
78.03452	3.3
80.05019	2.7
81.03391	0.8
83.01299	0.9
83.06091	1.0
84.04512	4.2
84.08150	4.3
85.02896	11.0
86.09695	8.6
87.05584	2.2
89.03938	0.8
91.05808	1.7
95.01317	6.3
96.04487	3.8
97.02900	1.2
97.86371	0.7
98.97600	1.1
99.00803	1.7
101.02362	0.9
103.03960	1.0
106.02897	19.5
110.07149	2.4
113.02361	3.2
116.07069	0.9
117.19209	0.7
123.04390	0.8
124.03943	100.0
127.03889	2.4
129.10242	2.1
131.03391	2.6
132.07686	1.1
135.04358	0.8
136.08713	0.8
141.01816	11.7
145.02808	0.8
147.04526	0.8
151.03931	1.0
159.02884	2.7
161.32350	0.7
163.03961	4.4
166.04933	0.8
169.06038	0.8
180.06531	14.8
181.04936	2.0
182.05299	1.5
186.08527	0.8
192.07745	0.8
198.07600	88.3
199.07982	1.8
226.08305	1.4
243.10962	1.4
294.14380	1.0
315.33981	0.9
374.10892	6.3
374.15298	1.6
374.25031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53029	2.0
58.87146	1.6
65.03917	4.2
67.05459	4.1
69.40926	18.2
70.06570	10.2
72.08138	6.4
73.04734	2.4
79.05460	8.0
81.03394	4.0
84.08115	5.8
85.02876	5.6
86.09682	9.4
91.05833	18.1
92.05696	2.7
93.05450	5.1
95.04936	5.3
96.80042	2.2
98.21667	2.2
103.05449	14.8
105.07005	7.8
107.04936	99.7
108.05284	1.9
110.03619	2.8
115.05452	4.1
116.07060	4.5
120.05703	4.7
123.04414	6.0
129.10254	3.6
131.04900	7.7
133.06427	3.8
135.08029	38.2
137.05971	2.8
139.03874	5.4
145.07593	4.1
147.04449	2.6
149.26349	2.0
151.03819	2.8
154.06213	2.5
163.03876	3.8
163.07520	100.0
164.07870	2.6
167.05661	3.7
167.07019	56.0
168.07381	2.2
181.04919	44.8
188.02333	2.2
195.10158	52.7
201.90102	2.4
213.11197	4.5
270.97559	2.3
275.37555	2.1
287.00827	4.5
305.02057	2.2
329.11929	2.9
357.06686	6.7
373.25470	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	373.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
55.65675	0.8
56.05012	2.4
69.07048	3.0
70.06586	16.0
70.26651	0.8
71.52365	1.8
72.08157	4.4
81.07011	1.0
83.06094	20.7
83.52122	0.9
84.04499	25.9
84.08117	3.9
85.02879	1.6
86.09698	100.0
91.05439	1.2
93.06993	1.0
95.04987	0.9
96.04485	1.8
101.07148	5.5
102.05505	2.8
107.04917	1.2
112.08719	1.3
113.07093	1.8
119.08551	0.8
120.08089	5.2
123.04398	1.3
129.06592	7.2
129.10226	2.7
129.98111	0.8
130.06500	1.5
131.11777	3.9
132.10193	25.3
136.07541	1.3
137.02312	1.0
137.05943	1.0
141.06572	3.7
143.11774	2.1
151.47723	1.0
152.10646	3.0
157.07629	4.0
157.13364	4.3
167.06990	1.0
169.13313	1.8
175.07478	1.1
177.05444	3.4
179.72836	0.8
185.12895	1.3
189.12376	1.8
195.02884	2.4
196.14442	15.9
197.12825	15.3
201.05383	1.1
205.04953	1.5
214.15501	7.9
215.13919	3.8
215.56639	0.9
222.07730	1.8
224.13869	6.4
225.12251	4.4
242.14980	14.0
243.13460	2.5
245.18459	1.1
255.64531	1.0
299.68823	1.6
301.06067	1.7
327.67722	1.2
355.23337	11.4
357.06238	0.9
373.08191	1.1
373.18182	11.6
373.23013	1.3
374.18777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.3
59.04974	1.0
59.14316	1.2
65.03925	1.1
67.05498	2.0
68.99780	2.3
69.03391	1.7
69.07066	1.2
70.06570	1.4
71.52690	1.1
71.53091	1.2
79.05459	1.4
81.03397	2.8
81.07046	2.5
83.04939	1.1
86.09689	1.4
91.05445	2.3
93.07027	2.4
95.04949	1.7
97.02887	1.3
99.00848	1.1
105.07024	1.9
107.04942	2.8
107.08566	1.4
109.02842	2.8
109.06449	1.2
109.10123	1.9
111.04437	3.9
117.07082	1.4
119.04916	1.2
119.08556	1.5
121.02843	1.2
121.06503	1.1
123.04414	20.1
133.02795	1.2
135.04465	1.6
137.02341	4.9
137.05966	3.7
139.03883	43.1
141.01799	12.4
143.04965	1.2
145.06494	1.4
147.04369	2.5
147.11749	1.6
149.02321	1.1
151.03932	4.9
153.05429	2.2
161.05956	3.8
163.03954	1.7
165.01817	71.3
166.02174	1.8
167.03288	1.1
167.07083	1.3
169.06386	1.7
173.06038	1.3
175.03836	2.5
175.07535	1.9
177.05415	2.2
179.03403	13.4
181.04941	2.3
183.02861	82.3
184.03189	2.7
189.05481	3.4
195.02887	10.1
201.05550	2.2
207.06494	1.1
215.06972	1.4
219.06523	2.5
221.08084	3.1
227.07039	1.4
229.04999	5.1
237.07478	2.0
243.06427	3.7
245.04398	3.7
247.06049	1.8
255.06366	2.2
257.04398	1.6
271.05942	11.2
289.07291	1.0
299.05457	18.9
300.05881	1.1
317.06506	100.0
318.06906	3.6
327.12140	3.8
331.12000	1.0
341.10172	1.7
355.11606	2.7
373.05396	1.6
373.12857	7.3
373.20602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73544	0.4
55.01863	1.1
55.05499	0.6
67.05499	1.2
69.03410	0.9
69.07043	0.8
69.96844	0.9
69.97248	1.1
70.06589	0.5
79.05472	1.5
80.02134	0.4
81.03405	1.0
81.07030	1.1
83.08581	0.6
84.08145	1.1
85.02874	0.8
86.09674	0.6
91.05445	1.2
93.07030	1.0
95.04954	1.0
95.08611	0.6
97.02889	0.8
97.06539	0.8
98.97623	0.5
105.07036	0.9
107.08587	0.9
109.06509	0.7
109.10116	0.9
119.05013	0.6
119.08557	0.9
121.10141	0.7
123.04399	0.5
135.04410	1.5
137.02315	3.3
137.05939	0.9
141.01797	3.3
145.10078	0.7
147.04411	1.3
165.01825	19.7
167.07085	0.4
183.02873	10.8
184.03238	0.5
252.94456	0.4
271.05859	0.6
283.06003	5.0
284.06290	0.7
285.10083	1.0
299.05475	100.0
300.05777	4.3
337.10553	0.5
355.11688	19.6
356.12122	1.3
373.08801	0.7
373.12869	1.0
384.42746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
52.25353	0.9
53.03937	2.2
55.01854	1.3
55.05495	1.0
56.96555	2.4
64.63472	1.0
65.03616	1.2
65.03933	18.1
66.55711	0.9
67.05492	6.3
69.03409	2.3
69.07046	1.0
69.70194	2.3
69.70607	4.8
74.09769	0.9
78.04688	1.9
79.05488	5.1
81.03423	4.9
81.07043	3.0
82.04176	2.6
85.02885	2.3
89.03889	3.3
90.04687	2.5
91.05459	12.2
93.03403	7.2
93.07017	2.6
95.01304	2.7
95.04935	5.6
95.08617	1.5
97.02852	2.2
97.06520	4.4
102.04668	1.3
103.05473	7.1
104.06238	7.8
105.07011	3.6
107.04927	2.7
107.08571	2.9
109.02852	1.7
109.06470	1.2
109.10155	1.7
110.03660	10.3
110.78439	0.9
111.04431	21.9
115.05444	3.8
117.03371	4.5
117.06979	1.7
118.04154	2.8
119.04919	4.4
119.08574	1.9
121.02853	3.7
121.06517	1.6
123.00752	4.9
123.04411	1.4
123.08044	2.3
125.05986	22.3
126.07919	0.9
128.06189	2.1
129.07002	2.2
130.04112	1.2
131.04916	35.3
132.05696	41.0
133.06236	1.5
134.03647	1.5
135.04410	6.8
135.11629	1.1
136.05185	2.8
137.02348	2.7
137.05949	1.8
138.03087	2.9
145.02812	4.2
145.10104	1.1
146.03622	1.4
147.04352	4.8
147.11662	1.1
149.05972	4.4
151.07513	2.2
153.05457	13.7
153.09142	0.9
154.05598	1.1
157.06482	1.7
160.05171	8.2
161.05966	4.0
163.03896	20.9
163.07524	1.1
164.04645	2.6
165.01825	22.8
165.05469	1.1
165.07019	1.0
166.02420	1.1
167.07024	2.0
173.05948	2.1
175.03975	1.4
177.01988	1.0
177.05431	7.0
179.07011	40.4
181.01405	1.9
181.04936	56.9
182.05389	1.5
183.02882	17.3
191.03467	1.3
191.06960	7.4
192.07782	23.0
193.08360	1.1
193.12241	1.4
207.06506	49.0
208.06752	1.4
217.07477	1.0
219.06531	1.2
237.07642	1.0
243.08765	1.2
267.09015	6.3
283.06003	1.8
285.10059	11.0
295.09610	2.3
297.06955	1.2
300.05728	2.7
301.06735	17.8
313.06186	2.0
313.10748	4.0
323.08963	2.1
325.06134	1.8
326.07062	1.1
334.33780	1.0
337.09845	2.7
339.07587	2.3
340.08420	2.5
341.10159	100.0
342.10803	6.0
353.10114	1.2
355.10779	34.8
356.10925	1.9
358.10458	3.4
373.12784	47.4
374.13196	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	373.1279
Annotation	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
Peak:m/z	Relative Intensity
55.01870	9.7
55.87529	0.7
59.04988	1.3
59.54657	0.7
65.03920	1.0
67.05491	2.6
68.99770	4.6
69.03413	2.9
69.07058	1.6
69.92574	3.8
77.03904	1.0
79.01824	1.7
79.05486	1.3
81.03400	3.4
81.07056	1.6
83.04977	1.0
86.09703	0.8
91.05470	1.0
93.03386	1.4
93.07052	1.3
95.04953	1.7
95.08585	1.4
97.02881	9.3
97.06512	1.0
99.00800	3.0
105.03333	1.5
105.07015	0.7
107.04937	2.9
109.02850	1.4
109.10151	0.9
111.04430	6.1
121.10178	0.9
123.00787	1.1
123.04414	61.5
124.04720	0.8
133.02853	1.4
135.04414	5.1
137.02307	5.0
137.05917	0.7
139.03885	50.2
140.04283	1.5
141.01801	21.1
141.06996	0.9
143.04941	1.1
146.79414	0.6
147.04410	1.8
149.02341	2.2
151.03860	6.0
153.01849	1.1
153.05449	3.8
155.03304	0.8
157.10004	1.0
161.05988	6.7
165.01820	67.0
166.02129	2.2
167.03333	1.1
169.06386	1.1
173.05931	1.5
173.51845	0.9
175.03914	6.3
177.05461	1.1
179.03363	13.2
183.02873	100.0
184.03195	2.8
187.07597	0.9
189.05399	1.7
193.04974	1.3
195.02869	8.8
195.10127	9.1
197.05940	2.3
201.05487	3.3
203.03322	1.5
211.04044	1.0
211.05879	0.9
215.06935	2.0
217.05006	0.9
221.08049	21.9
225.05396	1.7
227.06995	1.1
229.04898	5.4
234.20624	1.0
239.09099	8.3
243.06479	5.9
245.04474	2.3
247.05945	1.6
253.04922	1.1
257.04352	2.0
271.03119	1.2
271.06012	18.3
281.04367	1.2
289.06894	1.5
294.08221	0.7
299.05463	27.5
300.05792	1.1
317.06516	97.4
318.06812	4.0
327.12271	8.4
355.11682	2.9
373.12787	13.2
374.13113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05502	0.7
65.03927	0.8
67.05495	1.6
68.99787	2.5
69.03404	1.7
69.07051	0.8
70.06595	0.8
70.71187	1.4
70.71560	1.5
79.01830	1.0
79.05476	2.0
81.03391	2.2
81.07036	1.7
83.04993	0.6
83.53428	0.6
84.08140	1.7
86.09702	1.4
91.05447	1.8
93.07054	1.2
95.04951	1.8
95.08607	0.9
97.02872	2.0
97.06507	0.8
99.00808	0.9
102.44363	0.7
105.03327	1.1
105.07021	1.3
107.04957	2.7
107.08598	0.8
109.02918	0.8
109.06520	0.7
110.07167	0.6
111.04440	2.8
119.04967	1.1
123.04416	22.9
125.17791	0.7
127.03915	0.8
133.02802	0.8
133.06490	0.6
135.04453	1.8
137.02318	3.9
137.05965	1.4
137.09552	0.7
139.03888	43.6
140.04315	0.7
141.01826	11.2
143.04921	0.8
145.02841	0.7
145.06509	0.7
145.10002	0.7
147.04395	4.2
147.11639	0.8
149.02338	1.1
151.03883	17.4
153.05443	1.6
155.03421	0.8
161.05995	4.9
163.11089	1.0
164.53018	0.7
165.01820	66.3
165.05476	1.8
166.02173	2.2
167.07059	0.7
169.06456	1.2
173.06041	1.1
175.03940	2.2
177.05513	0.9
179.03372	13.3
181.04901	1.1
183.02876	80.4
184.03246	1.9
189.05437	2.1
195.02872	9.1
197.05885	1.8
201.05496	1.9
203.07089	1.1
215.06985	1.5
219.06432	0.8
221.08130	1.6
221.11670	7.1
225.05487	1.2
226.47406	0.7
229.04852	3.4
235.09653	1.0
237.07527	1.2
243.06407	3.9
245.04385	2.0
247.06024	1.6
253.04991	1.2
257.04391	1.6
271.05945	10.6
289.07010	1.6
299.02066	0.7
299.05453	14.6
303.08609	4.9
317.06531	100.0
318.06885	4.6
327.12152	2.1
355.11728	1.9
373.12891	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	373.1276
Annotation	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
Peak:m/z	Relative Intensity
53.03918	0.6
55.01859	5.3
59.04977	0.7
68.99777	2.8
69.03425	1.0
70.68642	1.8
79.01865	1.5
81.03419	1.7
81.07005	0.7
82.44878	0.6
92.16055	0.6
92.99745	1.2
95.04951	0.6
97.02882	1.7
99.00803	1.0
111.04424	2.9
123.00784	1.2
123.04416	17.5
135.04353	1.0
137.02310	3.9
139.03886	42.4
140.04224	0.8
141.01802	12.7
141.06918	0.7
144.61278	0.6
147.04436	1.0
149.02306	2.1
151.03851	3.0
153.05435	1.1
161.05977	4.1
165.01822	92.5
166.02095	2.9
168.56364	0.6
173.05942	0.7
175.03883	1.6
179.03378	12.0
183.02872	57.7
184.03204	2.8
189.05423	1.7
195.02882	8.8
197.05948	1.4
203.03305	0.9
215.06836	0.9
225.05580	1.0
229.04918	3.8
243.06592	3.1
245.04361	1.7
247.06084	1.2
253.05019	0.7
257.04483	1.8
271.06009	10.0
289.07129	1.5
299.02017	0.8
299.05432	16.9
299.08597	1.1
300.05966	1.2
300.10406	0.6
317.06522	100.0
318.06839	6.6
327.12204	1.2
373.12775	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	373.128
Annotation	2,3-Dehydrokievitone hydrate
Peak:m/z	Relative Intensity
50.73544	0.4
55.01863	1.1
55.05499	0.6
67.05499	1.2
69.03410	0.9
69.07043	0.8
69.96844	0.9
69.97248	1.1
70.06589	0.5
79.05472	1.5
80.02134	0.4
81.03405	1.0
81.07030	1.1
83.08581	0.6
84.08145	1.1
85.02874	0.8
86.09674	0.6
91.05445	1.2
93.07030	1.0
95.04954	1.0
95.08611	0.6
97.02889	0.8
97.06539	0.8
98.97623	0.5
105.07036	0.9
107.08587	0.9
109.06509	0.7
109.10116	0.9
119.05013	0.6
119.08557	0.9
121.10141	0.7
123.04399	0.5
135.04410	1.5
137.02315	3.3
137.05939	0.9
141.01797	3.3
145.10078	0.7
147.04411	1.3
165.01825	19.7
167.07085	0.4
183.02873	10.8
184.03238	0.5
252.94456	0.4
271.05859	0.6
283.06003	5.0
284.06290	0.7
285.10083	1.0
299.05475	100.0
300.05777	4.3
337.10553	0.5
355.11688	19.6
356.12122	1.3
373.08801	0.7
373.12869	1.0
384.42746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01851	0.9
55.05482	0.3
57.03419	0.5
65.03933	5.8
65.04256	0.2
67.05499	2.9
68.02641	0.2
68.99782	0.3
69.03427	1.3
69.07056	0.9
69.12820	0.2
69.24014	1.7
69.24434	0.7
70.06585	0.6
73.02920	0.3
79.05480	0.9
81.03408	0.8
81.07028	0.4
82.00549	0.3
82.04185	2.4
83.01318	0.4
83.08607	0.4
84.08139	0.5
85.02898	4.8
86.09705	1.2
93.03384	1.1
93.07047	0.3
95.01272	0.3
95.04968	2.0
95.08569	0.3
97.02875	0.9
97.06533	2.3
98.21582	0.5
101.02357	0.7
105.04562	0.4
107.04935	0.7
107.14487	0.2
108.02070	1.2
109.02866	0.5
109.10135	0.3
110.03663	3.0
111.00735	0.3
111.04427	1.9
113.02312	0.3
114.73605	0.2
119.08559	0.3
123.00786	0.7
123.04391	0.8
125.05981	1.8
127.03909	0.8
129.01863	0.3
129.10156	0.3
133.06523	0.3
137.02304	0.5
137.05940	0.4
138.03099	1.6
140.04663	2.3
141.01796	0.3
142.02614	2.1
145.06512	0.2
147.04359	0.5
148.16776	0.3
151.03911	0.4
153.01839	0.3
153.05432	0.9
155.06987	0.6
159.07901	0.3
165.01843	0.6
166.02524	0.4
167.07025	0.3
171.06519	4.8
181.04935	100.0
182.05276	2.1
183.02826	0.3
199.05887	0.5
201.05443	0.4
219.06470	0.4
235.09605	0.5
299.05396	0.3
300.05652	0.5
301.06058	1.8
355.11081	0.5
373.07443	1.4
373.12079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.3
53.03933	0.8
55.01863	1.1
55.05498	0.5
55.61938	0.3
65.03611	0.5
65.03934	6.1
67.05498	2.6
68.99770	0.7
69.03413	2.0
69.07058	0.7
69.45370	2.4
70.06540	0.3
71.05009	0.3
72.08164	0.3
73.02903	0.3
77.03897	0.4
79.01856	0.3
79.05475	1.2
81.03419	0.8
81.07050	1.0
82.04184	2.5
83.01347	0.7
84.08109	0.3
85.02895	4.7
86.09690	0.9
91.00793	0.3
91.05461	0.8
93.03394	1.2
93.07027	0.7
95.01303	0.5
95.04951	2.1
95.08617	0.5
97.02882	0.9
97.06529	2.0
98.99556	0.3
101.02362	0.3
105.03418	0.3
105.07034	0.5
107.04941	0.8
107.08557	0.4
108.02090	0.8
109.02847	0.9
109.10110	0.4
110.03654	3.1
111.04444	1.4
115.05443	0.4
119.04926	0.6
119.08573	0.6
121.06514	0.6
123.00769	0.6
123.04420	5.0
125.05955	2.1
127.03909	0.4
129.01855	0.3
133.06451	0.4
135.04439	0.4
135.08034	0.3
137.02316	0.8
137.05936	0.9
138.03131	2.2
139.03905	2.9
140.04695	2.4
141.01801	0.9
142.02618	2.0
147.04356	1.9
151.02753	0.6
151.03900	8.0
151.05122	0.4
153.01796	0.3
153.05444	1.2
155.07065	0.4
161.05939	0.6
165.01825	3.6
165.05470	1.5
167.03416	0.5
171.06502	4.7
177.05496	0.5
179.03400	1.2
179.06973	0.4
181.04938	100.0
182.05310	2.0
183.02861	3.6
195.02843	0.4
199.06108	0.4
200.13914	0.6
201.05536	0.8
221.11720	3.9
229.04974	0.6
253.04907	0.4
271.06094	0.6
285.07526	0.4
299.05420	1.1
300.05518	0.3
301.06647	0.4
303.08606	2.7
313.07010	1.2
317.06540	5.6
327.08575	3.6
327.12112	0.6
355.07867	1.4
355.11694	0.6
373.09128	4.5
373.13287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.4
57.03444	6.3
65.03922	6.8
67.05495	3.9
68.99760	6.8
69.03423	4.0
69.07062	4.3
70.06581	20.1
71.52009	5.0
72.08157	24.6
79.05493	5.9
81.03410	7.7
83.04969	5.9
84.04498	10.5
84.08127	11.2
85.02896	43.4
86.09698	50.3
91.05865	18.7
93.05462	8.0
93.26687	4.1
95.04953	8.2
97.02851	6.2
101.07138	3.8
103.03891	5.3
107.04955	12.0
109.02862	7.0
109.48532	3.4
110.03651	9.2
111.00764	3.9
111.04438	9.7
116.07059	8.3
119.04922	9.5
121.02838	14.8
123.04431	27.8
125.02407	4.0
125.06087	3.1
125.07107	9.4
130.04993	18.4
135.04393	6.5
137.02365	5.7
137.05975	7.8
139.03894	52.9
142.02605	3.1
145.06514	5.8
147.04411	29.4
147.07635	10.9
149.02303	3.9
149.05957	4.3
151.03871	29.0
152.07140	3.6
153.00014	8.5
153.01855	18.5
153.05479	5.3
161.05971	9.5
163.03902	25.1
165.01860	19.3
165.05418	13.3
167.07008	21.8
169.05042	3.5
173.05962	5.2
175.03899	6.4
177.01814	37.1
177.05432	9.4
179.03398	8.0
181.04965	100.0
181.06526	5.8
182.05371	5.3
183.02872	18.0
184.77739	3.0
185.16493	10.3
187.03911	5.5
187.07547	7.6
189.01848	4.0
189.05455	9.9
191.03354	25.6
193.04977	21.2
195.02876	77.7
197.05925	3.5
199.18114	4.2
203.03296	6.0
205.04938	57.5
205.06728	4.8
207.02809	7.0
211.05971	5.1
213.15872	6.8
217.04922	31.3
219.01039	5.6
219.02875	57.2
219.06154	4.0
219.10094	4.8
223.05888	17.0
229.04903	5.8
231.02872	15.8
231.06506	4.7
235.05994	91.4
247.05942	4.1
249.03905	13.7
253.06932	30.7
259.05945	18.5
260.06406	3.6
261.03934	23.9
263.00052	42.3
270.97665	4.6
277.07138	28.2
279.04889	9.8
287.00806	7.7
289.07062	22.6
297.06061	9.9
301.07031	12.3
304.05835	4.9
319.08231	17.7
322.06735	5.8
327.03180	11.8
337.09137	13.8
355.06708	4.7
355.10727	7.8
357.06580	5.3
373.03827	38.8
373.10840	16.9
373.15347	5.7
374.03806	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23648	0.3
53.03933	0.7
55.01853	1.0
55.05505	0.3
55.81491	0.3
57.03423	0.3
65.03609	0.5
65.03936	6.6
67.05500	2.9
68.35639	0.3
68.99791	0.3
69.03413	1.3
69.07070	0.6
70.02970	0.3
70.06580	0.7
70.48902	0.6
70.49246	0.7
72.08153	1.8
79.05489	0.3
81.03402	0.3
82.04188	2.7
83.01326	0.7
83.09503	0.3
84.04482	1.1
84.08136	3.2
85.02895	4.8
86.09683	3.1
91.05447	0.8
93.03381	1.2
95.01287	0.3
95.04951	1.7
97.02878	0.4
97.06530	1.8
101.02345	0.4
105.04571	0.3
108.02064	1.5
110.03655	3.1
111.00780	0.4
111.04427	1.5
113.02352	0.5
116.07049	0.4
119.04907	1.4
121.02867	0.4
121.03998	0.3
123.00777	0.8
123.04396	0.4
125.02318	0.4
125.05963	1.7
129.10233	3.0
137.02237	0.6
138.03098	2.0
140.04668	2.7
142.02588	2.4
144.06558	1.3
145.06496	0.4
147.04402	3.7
153.05428	1.2
155.07022	0.5
161.09193	1.6
167.06995	0.4
171.06499	4.2
177.05479	1.3
181.04933	100.0
182.05249	2.5
195.06468	0.4
199.05966	0.6
209.08041	0.4
242.18669	0.5
260.19608	0.3
327.06897	0.4
355.06335	0.3
368.11041	0.3
373.07410	2.0
373.18121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24132	0.7
55.01864	0.8
65.03928	4.9
66.04259	0.9
67.05504	1.3
69.03423	0.9
70.81479	1.7
70.81840	0.8
79.05486	0.9
81.07037	1.2
85.02879	1.2
91.05468	19.0
92.05800	9.9
93.07015	0.9
105.07022	1.4
119.04930	37.9
120.05264	26.6
121.10069	0.8
125.05931	0.9
137.02303	1.0
143.02965	0.8
144.32338	0.7
147.04393	100.0
148.04726	79.7
148.05971	1.6
149.04837	1.0
161.26125	0.7
171.06540	1.4
172.06799	1.2
181.04947	21.9
182.05289	17.6
247.26265	0.7
315.04828	1.9
316.04639	5.9
316.07983	3.5
326.07431	0.8
333.63275	0.8
372.11526	33.6
372.16251	1.8
372.26025	0.9
372.34885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01862	0.3
65.03944	0.3
69.03423	0.4
69.07060	0.2
70.06577	0.5
70.80979	0.4
70.81301	0.3
72.08135	0.5
73.04733	0.2
77.55512	0.2
79.05476	1.6
81.03399	0.6
84.04504	0.4
84.08130	0.5
85.02898	1.1
85.06525	0.3
86.09701	0.8
87.00816	0.4
91.05849	0.4
95.04951	0.4
96.04505	0.2
97.02920	0.5
99.04393	0.2
105.04528	0.3
106.06543	100.0
107.04968	0.3
107.06863	1.3
107.84534	0.2
108.02732	0.2
108.20647	0.2
110.07156	0.4
110.27640	0.2
111.04436	0.2
118.06529	0.9
123.04442	0.4
124.07581	0.4
127.03879	0.3
128.07077	0.4
129.10234	0.2
130.06467	0.2
147.04457	0.3
163.03903	0.2
164.56671	0.2
181.04962	2.8
227.08510	0.4
241.00015	0.2
372.16837	0.4
372.21191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01850	0.8
56.05033	0.3
59.84630	0.2
65.03929	5.8
67.05488	2.4
67.42455	0.2
67.48869	0.2
68.05001	0.3
68.99747	0.3
69.03419	1.4
69.03719	0.2
69.07058	0.4
69.20086	0.2
70.06592	1.8
71.52241	0.3
72.08131	1.0
78.21099	0.3
79.05468	0.9
81.03394	0.4
82.04197	2.0
83.01318	0.5
84.04494	3.2
84.08125	1.0
85.02431	0.4
85.02897	4.3
86.09692	11.0
91.05804	0.8
93.03387	1.1
95.01298	0.3
95.04948	1.8
97.02864	0.9
97.06508	2.0
101.02308	0.6
101.07116	0.3
102.05513	0.3
105.03406	0.3
105.04533	0.3
106.06526	0.8
107.04933	1.1
107.06847	0.6
108.02081	1.0
110.03644	2.7
111.04451	1.8
113.02274	0.3
116.07128	0.5
119.04966	0.2
121.02911	0.4
123.00725	0.6
123.04404	0.6
124.07629	0.3
125.02328	0.3
125.05983	1.6
129.01836	0.3
129.10213	0.5
130.04985	4.2
135.04402	0.4
137.02333	0.5
137.05930	0.3
138.03101	1.8
139.03905	1.3
140.04674	2.0
142.02606	2.0
144.06517	0.6
145.02856	0.5
145.06380	0.3
147.04369	1.1
147.07613	5.2
151.03888	0.5
153.01602	0.2
153.05441	1.0
155.01534	0.2
155.07027	0.4
161.09184	0.4
163.03825	0.4
166.02553	0.3
167.06993	0.7
171.04326	0.3
171.06506	5.5
177.05415	1.1
181.04926	100.0
182.05266	2.5
189.05417	0.4
193.08597	0.3
199.09386	0.6
199.18121	0.6
205.04788	0.3
211.05792	0.3
223.06006	0.3
235.05998	0.4
243.13754	0.2
259.06073	0.5
260.16064	1.3
277.07175	0.4
287.00607	0.3
313.20938	0.3
327.07242	0.3
329.11874	0.3
355.11938	0.3
357.06369	0.4
373.07321	1.6
373.25333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2427
Annotation	20-hydroxytrioxilin A3
Peak:m/z	Relative Intensity
53.03937	3.6
55.01852	6.6
55.05515	12.5
55.11699	1.7
57.03432	4.2
65.03931	2.9
67.05499	45.4
68.99757	3.3
69.03423	24.6
69.06741	2.3
69.07066	33.2
70.06599	3.9
70.77396	5.2
71.04990	4.3
71.08627	2.9
72.08166	2.4
79.05491	24.4
81.03402	5.4
81.07049	84.3
83.04962	8.5
83.08620	4.9
84.04472	2.1
84.08118	2.3
85.02896	3.8
86.09685	8.2
91.05460	14.6
91.05869	4.4
93.07034	24.9
95.04980	11.9
95.08601	22.7
96.96930	2.0
97.02883	3.3
97.06525	20.0
97.10173	6.1
99.04449	4.1
99.08085	41.3
101.05976	2.3
103.05462	3.2
105.07021	21.3
107.04955	16.5
107.08591	34.4
109.02882	4.3
109.06499	9.7
109.10144	92.6
109.68106	2.2
111.04444	5.6
111.08069	3.6
111.11641	2.1
113.05989	2.0
117.07013	4.0
119.04910	7.8
119.08558	14.6
121.02796	2.5
121.06514	6.7
121.10137	24.8
123.04419	50.9
123.08050	5.4
123.11678	10.1
125.06007	2.7
125.09634	13.3
127.11168	2.6
129.06949	2.2
131.04938	3.3
131.08578	3.5
133.06404	3.4
133.10110	5.5
135.04424	3.7
135.08061	17.8
135.11644	4.6
137.02301	4.0
137.05968	10.3
137.09549	6.3
137.13260	3.1
139.03914	3.1
139.11165	100.0
143.04936	2.6
143.08568	2.9
145.06419	2.1
145.10110	9.0
146.11734	2.7
147.04410	15.1
147.08032	6.3
147.11739	3.6
149.06012	4.6
149.09662	3.2
151.03908	18.9
151.07521	4.7
151.11154	5.0
153.09084	8.5
153.12723	9.3
159.08018	2.9
159.11650	3.1
161.05963	4.1
161.09706	3.2
161.13362	2.8
163.03874	6.4
163.07509	6.1
163.11191	5.7
165.01823	7.5
165.05386	6.0
165.09119	5.3
165.12737	3.3
167.07033	9.9
169.12221	13.1
173.05873	2.1
173.09540	3.4
173.13319	2.3
175.07553	4.5
175.11206	3.0
177.05490	4.8
178.07710	2.4
181.08582	2.5
181.12267	4.9
183.02824	4.3
183.11688	2.1
187.07568	2.5
189.05428	2.2
189.09145	2.0
191.10678	4.5
191.14314	3.6
193.08604	5.7
199.09689	10.1
207.06476	2.1
209.11665	3.7
217.04904	3.7
217.08548	3.4
218.07236	2.2
219.06516	8.5
219.10057	13.7
221.07903	3.1
227.07010	2.4
239.07199	2.2
257.04541	2.2
259.05991	8.6
263.06970	2.9
268.97879	2.4
271.20605	3.2
272.24033	2.0
285.00970	5.1
287.05426	8.1
287.08533	2.2
289.21341	2.5
297.11142	2.9
299.05377	8.6
300.09656	2.3
303.08380	2.6
309.11160	3.7
311.09171	2.5
315.04926	22.5
317.21240	5.0
325.10709	10.5
327.12421	3.9
335.22137	16.6
339.12131	3.8
353.10071	8.6
353.13901	4.9
353.23184	30.9
355.06665	2.2
371.10913	12.4
371.15002	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	3.1
53.03937	4.5
55.01858	7.7
55.05511	22.8
57.03425	3.7
57.07058	3.0
59.04986	4.1
65.03926	5.5
67.05169	4.8
67.05499	46.4
69.03419	30.8
69.07063	35.5
70.06570	6.5
71.04971	9.0
71.08607	3.6
71.53278	4.5
73.02872	3.2
79.05486	32.9
81.03404	5.2
81.07048	91.6
83.04965	10.5
83.08598	8.7
84.08102	3.4
85.02898	13.8
85.06545	3.4
86.09690	7.6
91.05466	18.7
93.07038	30.1
95.04378	5.9
95.04961	100.0
95.08596	25.9
97.02879	8.4
97.06522	24.3
97.10155	10.8
99.04458	19.7
99.08088	40.5
100.11221	13.9
101.11650	2.7
103.05460	4.2
105.07021	21.7
106.32266	2.8
107.04956	23.4
107.07895	3.1
107.08590	42.2
109.02869	4.0
109.06499	9.9
109.10149	91.1
111.04422	7.8
111.08054	3.5
117.06990	8.2
119.04912	8.7
119.08572	15.3
121.02841	8.8
121.10134	21.9
123.04414	18.1
123.08044	8.3
123.11679	10.0
125.09616	11.8
127.03959	3.5
129.05470	2.8
129.06987	4.9
131.04900	13.0
131.08546	7.5
133.06456	5.3
133.10115	9.6
135.04401	6.0
135.08035	14.6
135.11693	4.3
137.02336	3.7
137.05948	21.9
137.09586	8.0
139.04025	2.6
139.11176	78.2
141.11430	3.7
144.05705	4.8
145.06479	8.5
145.10126	11.7
147.04379	20.7
147.11737	4.4
149.05948	3.8
149.09660	5.1
149.13206	3.0
151.03853	14.0
151.07542	3.8
151.11166	8.7
153.09088	26.5
153.12721	7.3
156.05670	8.9
159.08012	4.1
161.05943	9.8
163.03891	2.7
163.07512	4.4
163.11179	4.8
165.01820	5.0
165.05411	3.4
165.09094	6.5
167.07004	31.1
169.12239	12.7
171.04384	4.0
171.10117	3.6
173.09619	3.5
173.13202	4.8
175.07489	6.0
177.05511	7.0
181.04922	36.1
181.06380	4.6
181.08597	3.5
181.12201	6.2
182.05171	2.9
182.15436	7.4
183.02873	5.4
187.07539	4.0
189.05461	5.6
190.07744	3.5
191.06938	5.6
191.14256	8.7
193.08574	3.3
194.07312	3.0
199.09698	4.3
205.06528	5.7
207.08119	4.5
209.15297	22.5
210.14876	8.2
217.08612	11.5
219.08153	7.1
219.10074	6.4
223.07405	4.0
224.08395	2.9
225.10988	3.5
233.06015	3.6
234.06781	4.4
235.07437	3.7
238.06110	3.8
241.08553	3.7
245.49609	3.3
247.07332	3.6
247.09630	4.3
249.09242	3.7
250.06151	3.8
250.09729	3.2
261.09079	3.6
263.07144	6.0
264.07794	4.3
265.08612	8.2
267.06537	3.3
267.09863	4.7
269.08017	3.1
277.08676	4.8
279.06735	3.5
279.09952	5.3
281.07962	3.0
282.19223	3.5
283.05969	9.1
285.00977	4.0
287.05396	5.7
289.21600	3.7
289.71780	4.7
295.06076	5.7
295.09521	3.8
297.03970	12.4
297.07361	5.5
298.04391	2.9
299.05457	59.7
300.05804	5.0
300.09683	3.2
301.10602	5.7
307.09482	3.9
309.11108	4.4
311.08987	3.1
313.10416	3.8
315.04868	7.1
317.21210	5.5
321.07483	3.1
321.10968	5.7
325.10657	11.3
326.11182	4.8
335.22104	17.3
339.12216	5.4
341.10165	5.5
353.10117	14.4
353.13867	8.1
353.23074	26.0
371.11176	35.6
371.15134	7.7
372.11334	4.2
377.90637	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18247	0.5
50.19086	0.6
51.02375	0.9
53.03931	2.0
54.60029	0.6
55.01868	4.2
55.05498	2.4
55.58348	0.7
57.03424	1.2
57.07053	0.7
59.05005	0.8
65.03928	1.6
67.05495	5.7
68.99773	4.2
69.03425	6.6
69.07057	1.5
70.06582	1.6
71.04980	1.1
71.52750	1.1
77.03912	1.5
79.05478	9.5
81.03411	5.9
81.04459	0.7
81.07049	23.3
83.01293	0.7
83.04959	1.6
83.08625	0.7
84.04490	0.6
84.08113	0.9
85.02896	10.2
86.09736	1.4
91.05404	9.3
93.07048	3.8
95.04965	6.3
95.08603	5.2
97.02882	2.5
97.06499	1.4
99.00799	0.8
99.04459	1.1
103.05486	1.3
105.03383	2.3
105.04510	1.0
105.07021	3.4
106.06570	0.8
107.04947	7.1
107.08575	3.5
109.02887	3.3
109.06525	3.3
109.10134	3.2
111.04442	1.2
115.05447	1.6
117.07008	1.8
119.04934	21.7
119.05794	1.3
119.08562	2.4
120.08104	3.9
121.02884	0.7
121.06497	2.9
121.08409	1.3
121.10123	3.3
122.07282	0.8
123.04417	100.0
123.08033	5.0
123.11659	0.8
124.04712	1.9
124.30828	0.6
125.06043	0.8
127.03878	4.2
129.05457	0.7
129.06999	1.4
131.04916	1.6
131.08574	1.7
133.02841	0.7
133.06479	2.0
133.10168	1.3
135.04398	4.1
135.08060	1.8
137.02322	2.7
137.05968	5.6
137.09561	3.8
137.13187	0.7
139.03896	6.9
141.01851	0.8
141.07025	0.8
143.04910	2.5
145.04947	1.4
145.06482	1.7
145.10129	1.5
147.04393	52.5
147.08031	1.3
148.04771	1.1
149.05983	7.0
149.09613	4.4
149.13258	1.8
151.03886	81.8
151.11134	4.2
152.04250	1.8
153.05499	1.4
156.05688	0.9
158.07256	0.7
159.04453	1.0
159.07967	1.1
161.05962	5.7
163.03888	6.0
163.07567	1.5
165.05467	31.4
165.06877	1.6
165.09164	0.9
165.12738	11.1
166.05795	0.9
167.07022	6.9
173.05943	2.0
173.09592	1.1
174.06622	0.8
175.03842	0.8
176.56555	0.8
177.01758	1.2
177.05452	11.0
177.08986	1.0
177.10342	1.0
179.03474	0.7
179.07097	1.9
181.04971	2.4
183.02885	0.8
187.07527	1.6
189.05443	2.1
191.05453	0.7
191.07063	1.9
191.14243	5.1
191.27718	0.6
193.04939	1.4
193.08609	2.7
195.10165	0.7
195.62708	0.7
197.06033	1.0
201.05533	1.2
201.09164	1.7
203.10661	2.0
207.06474	4.3
207.10071	1.0
209.15353	30.0
210.15694	0.7
215.07137	0.8
217.04962	2.6
217.08635	2.1
219.06789	7.9
219.10127	59.5
220.10495	1.8
231.10110	1.8
234.06689	1.0
235.05872	1.1
243.06480	1.2
249.11195	4.0
285.01016	1.6
285.07452	2.0
297.11160	2.1
299.05566	0.9
300.09958	0.9
303.08591	15.8
304.09119	0.8
307.09528	0.9
311.09213	1.5
315.04898	5.0
321.11462	1.1
325.10651	5.9
335.22000	0.7
339.12073	1.1
353.10214	2.8
353.14035	3.8
355.07043	0.9
371.11176	2.1
371.14975	13.4
372.15442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03953	1.5
55.01851	2.2
55.05500	5.1
57.03426	3.8
57.07061	1.8
61.02932	1.6
67.05497	3.7
69.03432	17.1
69.07057	6.3
69.50923	10.6
70.06589	11.3
72.08147	5.4
73.04743	2.9
79.05486	3.8
80.23008	1.5
81.03390	3.9
81.07056	6.5
83.04978	13.5
83.08609	5.6
84.04520	2.1
84.08122	4.7
85.02895	16.5
85.06538	2.9
86.09687	7.0
88.03953	1.5
91.05773	10.2
93.07042	6.0
95.04957	4.4
95.08604	11.8
97.02870	5.7
97.06546	2.5
99.04454	2.8
99.08105	1.7
102.04805	1.6
105.07011	5.8
107.04935	4.0
107.08597	20.9
109.02880	4.1
109.06509	10.6
109.10148	3.8
111.04460	1.4
111.08069	11.9
115.05428	1.7
119.08577	5.7
121.02851	3.7
121.06412	1.5
121.10126	13.3
123.04402	3.7
123.08086	3.7
123.11729	4.1
125.09637	19.5
127.03900	4.9
129.10242	2.1
130.08640	4.5
131.08556	7.8
133.10110	9.8
135.08043	25.9
135.11668	7.3
137.05984	5.5
137.09645	1.9
141.78255	1.3
145.04883	1.3
145.10112	5.2
147.04439	1.8
147.11688	4.0
149.09601	11.4
149.13281	7.7
150.10367	1.8
151.03783	2.3
151.11160	2.9
153.09073	9.1
158.10912	5.4
159.15739	1.3
161.09715	1.5
163.03897	1.5
163.11230	6.5
163.14839	6.5
165.12794	3.1
167.06985	7.0
167.14316	3.2
170.68094	1.5
173.13258	25.0
176.11845	4.0
181.12294	1.3
187.07544	1.4
191.14301	100.0
192.14673	1.9
193.08698	1.8
209.15353	99.8
210.15599	2.7
217.08690	2.5
219.08223	1.6
235.02228	1.4
235.07561	1.4
268.97763	2.5
274.03629	1.5
285.00989	4.3
321.11154	1.7
339.12335	2.2
353.19693	3.9
355.07074	2.6
371.16321	5.9
371.20639	21.8
373.08344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.97788	0.4
55.05488	0.7
57.03421	0.5
57.07057	2.0
65.03920	0.7
67.05492	1.0
69.03423	2.3
69.07045	0.9
70.06583	2.7
70.46065	1.1
70.46429	0.9
72.08145	2.2
72.43201	0.4
73.02914	0.4
73.04743	1.0
79.05482	5.6
81.03404	1.2
81.07024	2.2
82.54756	0.4
83.04976	0.4
84.04488	1.0
84.08136	1.3
85.02897	4.0
85.06496	0.5
86.03230	0.4
86.09702	4.1
91.05416	2.0
91.05797	2.5
93.07030	6.3
95.04958	1.9
97.02900	1.0
100.11238	0.6
103.05447	1.5
105.07018	11.7
106.07801	0.6
107.04932	4.1
107.08591	0.7
109.02864	1.0
109.06504	3.8
109.10204	0.5
110.07144	0.4
111.04406	0.8
116.07025	0.5
116.14732	0.5
119.04887	0.6
119.08575	2.5
121.06493	4.2
121.10128	15.6
123.04401	1.3
123.08075	3.0
123.11667	0.9
124.03905	0.5
125.07971	0.4
127.03870	1.3
129.10226	0.6
130.08606	0.7
131.08510	1.0
133.02785	0.8
133.07581	0.9
136.07591	0.5
137.05939	1.0
139.03867	0.5
145.06413	0.4
149.09601	100.0
150.09920	1.6
151.03912	0.6
151.11160	2.4
159.10197	1.0
160.10480	1.2
161.05969	0.9
163.03867	0.9
167.06964	2.1
167.10675	0.9
175.07584	0.4
177.05482	0.7
177.11159	0.6
178.11575	0.6
179.03403	1.3
180.03752	1.2
182.15323	0.6
187.07440	0.6
191.14285	35.9
192.14658	0.7
193.08611	1.2
209.04395	0.9
209.15321	0.6
217.08548	1.1
219.07997	1.0
235.07454	0.5
236.08197	0.6
247.07449	0.9
249.09386	0.8
266.21060	0.5
268.97821	1.3
279.10156	1.1
285.01028	1.3
285.07968	0.5
307.09595	0.8
316.81967	0.4
321.11157	0.6
339.12131	1.2
354.24249	0.5
355.06873	0.7
356.07343	0.5
371.11307	1.1
371.16602	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	371.1484
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
55.01863	1.9
65.03918	0.9
67.05498	1.4
68.99789	1.0
69.07050	0.3
69.93210	1.7
70.00156	0.3
80.42585	0.3
81.03401	0.4
83.01333	5.2
83.04971	0.3
85.02856	0.4
91.05465	3.6
93.03385	0.5
93.07019	0.3
95.04958	2.1
98.59136	0.3
99.00801	0.7
105.03401	0.5
107.01311	0.3
109.02852	0.6
119.04936	5.6
123.00788	0.5
123.04424	3.1
133.02864	0.4
135.23593	0.3
137.02325	4.9
137.05957	1.9
141.01808	5.5
147.04395	19.5
148.04736	0.8
151.02754	0.5
151.03900	6.9
153.05444	0.4
155.03383	2.5
160.83136	0.3
169.04929	1.3
179.03372	100.0
180.03706	3.5
181.04929	4.8
181.06371	0.5
193.05005	1.4
197.04434	53.5
198.04745	1.6
205.04938	2.9
235.09654	1.0
247.60173	0.3
273.07526	0.7
297.07590	0.4
297.33310	0.3
315.08582	83.6
316.08920	4.2
366.33624	0.5
371.10703	2.3
371.15121	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03926	1.2
55.01870	1.1
55.05516	1.0
69.03404	4.2
69.07052	1.3
70.06596	6.9
70.77673	3.2
72.08136	3.4
73.04733	1.2
79.05495	6.7
81.03424	1.6
81.07023	4.5
83.04952	1.4
84.04471	1.0
84.08131	1.7
85.02883	4.4
86.09697	5.4
91.05349	2.1
91.05807	3.3
93.07038	5.8
95.04949	4.2
95.08604	2.1
97.06517	1.2
105.07022	12.7
107.04946	6.2
107.08574	2.5
109.02812	1.2
109.06524	4.6
111.24469	0.9
115.05474	1.2
119.08564	3.6
120.08076	1.0
121.06489	5.9
121.10135	17.7
123.04388	1.6
123.08051	3.1
123.11677	1.7
125.09613	4.8
127.03909	1.1
130.08595	1.8
131.08525	1.7
132.99960	1.0
133.07610	1.6
133.10158	1.9
135.08022	2.6
137.05954	5.3
145.10104	1.3
149.09599	100.0
150.10031	1.3
151.03932	2.2
151.07567	1.3
151.11203	1.7
153.09074	2.3
156.05647	1.2
158.10863	1.0
167.07037	4.1
167.10706	0.9
173.13246	3.5
191.14285	47.5
192.14526	1.0
193.08624	1.8
195.02853	1.4
197.12973	1.0
202.06349	1.1
209.15329	9.3
217.08559	1.8
241.08684	0.9
249.08897	1.3
259.66266	1.1
285.00900	1.9
285.07385	1.9
307.09760	1.2
327.03183	1.9
355.06940	2.0
371.02206	17.8
371.06940	2.0
371.16821	15.4
371.20901	1.6
372.02435	1.9
372.16461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1121
Annotation	Lupinol C
Peak:m/z	Relative Intensity
55.01873	1.1
55.05492	0.3
59.93554	0.2
65.03922	0.4
65.97664	0.2
67.05458	0.7
68.99752	0.8
70.70148	0.5
72.59900	0.2
79.05468	0.4
81.03365	0.3
81.07018	0.3
89.86761	0.2
91.05433	1.1
93.06987	0.2
95.04935	0.3
105.07003	0.3
107.04884	0.3
109.10121	0.2
117.14964	0.2
119.04942	2.1
121.02825	0.7
123.00835	0.6
123.04381	0.7
127.03883	0.4
131.04906	0.4
135.04353	0.9
137.02325	9.8
137.03368	0.5
137.05956	0.2
141.00761	0.3
141.01819	5.4
145.06473	0.5
147.04401	6.1
149.02315	0.5
149.05984	0.3
151.03862	0.6
151.07426	0.3
155.03375	0.4
157.06467	0.3
158.08171	0.2
161.02316	0.8
161.05891	0.4
163.03871	2.1
165.01826	5.7
167.03351	0.3
167.06938	0.3
171.04401	0.3
173.05946	0.3
175.03796	0.2
175.07520	0.2
177.01888	0.3
177.05322	0.2
179.03430	0.5
181.04922	1.3
183.02878	4.0
183.38632	0.2
185.05954	0.8
187.03854	0.7
189.05470	0.3
191.03381	0.4
191.07059	0.3
199.03912	0.3
201.05400	0.4
204.04115	0.2
213.05479	1.0
217.04938	0.9
217.08405	0.3
219.06459	0.3
227.03282	0.2
231.06482	0.4
241.04912	2.2
244.48740	0.2
245.04456	0.3
257.04553	0.3
259.06000	0.8
267.16068	0.2
269.04309	0.2
271.05896	1.7
276.38376	0.2
283.06033	1.8
287.05414	1.5
295.06049	0.6
297.07336	0.3
299.05460	13.9
300.05893	0.5
311.05472	2.2
311.09055	1.0
315.04944	100.0
316.05273	2.9
323.05469	1.1
324.06369	1.0
325.07172	0.4
325.10645	0.4
334.85986	0.2
335.09183	1.8
337.06979	1.0
338.07803	2.2
353.10153	13.1
354.10571	0.6
371.11215	40.1
372.11560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1122
Annotation	Oxidihydroartocarpesin
Peak:m/z	Relative Intensity
50.40815	0.2
53.54123	0.2
57.07073	0.2
59.04993	10.5
63.77406	0.1
65.03916	0.3
67.05495	0.3
69.03413	0.3
69.32854	1.8
72.44491	0.2
73.04750	0.2
79.05476	0.6
81.03403	0.5
81.07037	0.6
83.04978	0.2
85.02860	0.3
91.05463	0.8
93.07068	0.4
95.04945	0.4
95.08610	0.3
97.02840	0.2
98.21499	0.4
105.07029	0.3
107.04951	1.0
107.20287	0.2
109.06513	0.3
109.10165	0.2
119.04930	3.0
119.08541	0.2
121.02863	1.1
121.06497	0.2
121.10136	0.2
123.04418	1.0
123.11729	0.2
127.03934	0.2
135.08008	0.2
137.04071	0.2
137.05951	0.3
145.02824	0.8
145.04984	0.2
147.04401	0.9
149.02327	1.3
151.03851	0.5
165.01830	0.4
165.06982	0.2
167.03395	1.8
167.07043	0.8
177.01808	6.1
177.05464	0.3
179.03336	1.4
181.04924	0.2
187.07561	0.3
191.14268	0.4
195.02863	0.7
197.04536	0.9
210.38843	0.2
217.08499	0.3
219.06485	0.3
221.05962	0.4
235.05916	0.3
239.07024	0.3
249.05429	0.3
251.06877	0.2
251.09198	0.6
253.04869	0.3
267.06473	3.2
285.01077	0.3
295.05972	100.0
296.06296	3.3
299.05453	0.9
299.09100	1.2
307.09604	0.2
311.09219	0.4
325.10544	0.4
329.10596	0.2
353.10245	0.9
353.13950	0.2
371.10959	1.4
371.15302	0.4
371.20340	0.2
372.53033	0.2
388.56900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
50.73952	0.2
55.01863	1.0
55.05503	0.3
64.52224	0.2
67.05505	1.4
68.99796	0.7
69.03410	0.7
69.07066	1.2
70.06565	0.4
70.81569	0.7
79.05473	0.6
81.07052	1.7
85.02876	0.4
85.06539	0.3
89.03938	0.2
90.01550	0.2
91.05418	0.5
93.07019	0.5
95.04937	0.6
95.08566	0.4
97.02858	0.3
97.06496	0.4
98.21471	0.3
99.08054	0.8
105.07057	0.7
107.04940	1.9
107.08580	1.3
109.06509	0.3
109.10143	1.7
111.04421	0.3
119.04884	0.6
119.08598	0.4
120.08065	0.3
121.10133	0.8
123.00821	0.6
123.04411	1.5
123.08042	0.3
125.09596	0.3
131.08525	0.3
133.10107	0.4
134.40837	0.3
135.04405	2.2
137.02327	4.1
137.05962	0.6
139.11151	1.4
141.01794	3.3
144.90485	0.2
145.06404	0.4
147.04358	0.4
151.03862	0.7
152.68118	0.2
153.09152	0.2
153.12685	0.4
161.02287	0.5
163.03877	1.7
165.01819	20.7
166.02159	0.5
167.03349	0.2
167.06998	1.0
173.13182	0.4
177.01833	0.3
177.05449	0.6
179.03413	0.3
183.02873	9.0
191.07002	0.6
191.14246	0.6
217.08540	0.5
219.10016	0.4
245.04419	0.3
247.07527	0.4
251.10526	0.3
253.56429	0.3
271.05914	0.3
283.06085	1.9
287.05411	3.1
297.07550	0.3
299.05466	100.0
300.05826	3.4
309.07687	0.3
311.05463	2.5
311.08978	0.6
313.06918	0.5
315.04932	3.8
323.05527	0.9
324.06342	0.6
325.07117	0.3
325.10800	0.8
335.09045	1.3
335.21976	0.3
337.07010	1.1
338.07791	1.6
339.12079	0.4
353.10138	15.0
354.10455	0.8
371.11203	35.8
372.11353	1.4
376.67184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01859	5.2
55.05502	2.5
56.05021	3.2
56.96560	27.9
57.03411	5.2
57.14307	2.7
60.04501	2.5
60.14022	2.4
61.02911	7.5
64.14791	2.6
65.03941	2.3
69.03422	22.9
70.02945	2.9
70.05572	12.5
70.06571	13.2
72.93772	3.0
73.02906	4.3
73.04750	21.9
74.02441	13.0
79.05495	3.6
81.03403	8.3
83.06107	2.6
83.68719	2.3
84.04488	16.7
84.08129	11.0
84.96022	6.2
85.02898	50.2
86.09691	9.3
88.03972	3.1
89.03915	20.0
91.05801	92.9
94.06558	97.3
95.04951	4.1
97.02868	18.8
98.97575	37.4
99.00806	9.9
99.04446	3.6
104.04964	6.1
106.06570	5.1
107.04934	7.3
109.02873	6.8
110.07142	8.0
110.97556	4.5
111.04462	2.6
114.07370	5.5
116.07089	2.9
116.98621	24.5
117.03381	13.5
118.06533	44.0
119.04947	3.4
120.03609	4.3
120.04439	41.6
123.04428	6.8
127.03885	11.2
128.07114	3.2
128.98608	13.1
129.05443	4.4
129.10231	5.1
130.04993	10.8
130.06511	8.0
131.00175	2.4
132.04417	7.7
132.08087	3.7
134.99644	11.0
135.04430	14.6
136.06343	3.3
136.07562	58.3
137.02409	2.3
137.05946	4.8
139.03897	3.9
145.02809	26.4
145.04970	4.5
146.05998	65.3
146.08069	3.0
146.99602	10.5
147.04396	4.6
147.07639	8.1
149.05981	4.4
150.05502	20.8
151.03934	3.8
156.04424	4.5
158.06055	3.5
158.97380	5.6
158.99641	7.6
160.07622	6.6
161.01184	4.0
162.05455	3.2
163.03888	50.1
163.08638	9.7
164.04184	3.2
164.07022	8.0
167.05573	4.3
169.03508	2.4
170.05946	8.4
172.07492	2.4
174.05490	25.5
176.98495	2.8
177.00664	13.7
177.05496	17.0
178.08553	3.8
179.03401	4.2
181.05025	2.8
184.07495	4.1
186.05540	3.2
188.07083	8.1
189.00629	3.7
190.04935	3.9
190.95337	2.4
192.06532	100.0
193.06956	3.2
193.22345	2.3
196.07523	7.1
197.01180	2.4
197.12886	4.6
198.09071	2.7
201.00757	4.3
202.08640	3.8
203.02168	2.8
209.09195	80.6
210.07675	3.9
210.09503	3.0
214.08640	4.1
216.97823	2.7
219.01721	9.1
224.06831	2.5
226.08572	3.2
227.02296	4.8
234.07629	6.9
234.98967	12.0
237.02786	26.8
240.06549	3.0
243.01813	2.8
244.09534	2.7
245.03397	3.8
253.03874	2.8
255.03871	3.3
257.03204	2.8
262.10699	4.3
266.99896	7.1
268.97797	20.3
270.07556	14.3
283.02808	2.6
285.00912	29.7
298.12830	3.6
299.06088	3.8
300.08630	5.4
303.02161	12.3
318.09561	13.3
324.43298	2.6
336.10785	10.0
355.06812	22.8
356.07468	4.4
368.24557	2.4
371.06921	3.2
373.08136	15.1
387.05630	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	371.1119
Annotation	Lupinol C
Peak:m/z	Relative Intensity
55.01863	1.3
68.99754	0.4
70.14503	0.6
79.05453	0.2
81.03363	0.3
95.04890	0.2
105.29493	0.1
107.04874	0.1
109.02833	0.2
119.04914	0.7
121.02791	0.4
123.00794	0.6
123.04381	0.2
127.03848	0.3
129.06955	0.2
131.04858	0.2
135.04309	0.2
137.02321	8.0
137.03365	0.5
138.02521	0.2
141.01808	5.2
147.03409	0.2
147.04401	1.9
149.02264	0.4
151.03876	0.2
161.05942	0.3
163.03870	2.0
165.00554	0.2
165.01816	3.1
171.04369	0.3
181.04909	0.4
183.02853	2.5
185.05948	0.6
187.03827	0.6
191.03438	0.2
199.03842	0.3
203.03145	0.2
203.07025	0.2
213.05452	1.0
217.05000	0.9
219.02654	0.2
227.03365	0.2
231.06418	0.2
241.04933	1.8
259.05972	0.9
265.25476	0.1
269.04413	0.4
277.13315	0.2
287.05432	0.8
315.04922	100.0
316.05273	3.8
371.11203	8.3
371.14847	0.2
372.11444	0.5
381.59766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1122
Annotation	Lupinol C
Peak:m/z	Relative Intensity
65.03936	2.8
67.05500	1.8
68.99772	0.5
69.03419	0.5
69.07045	0.3
69.25385	2.3
69.25798	1.1
70.14209	0.3
79.05466	0.5
81.07038	0.8
82.04202	0.5
85.02891	1.4
91.05469	16.5
95.04939	0.5
95.08556	0.3
96.61907	0.3
97.06533	0.7
101.06037	0.5
105.07053	0.4
107.04955	0.8
108.02070	0.4
109.06513	0.5
109.10160	0.9
110.03667	1.2
111.04429	0.9
117.07006	0.4
118.46284	0.3
119.04928	35.2
120.05249	0.9
121.02841	0.5
125.05953	0.9
131.04906	0.4
133.02835	0.3
133.10182	0.4
135.11638	0.4
137.02347	0.7
137.05972	0.5
137.09680	0.4
138.03110	0.6
141.01849	0.4
142.02618	0.9
145.06529	0.6
147.04393	100.0
148.04758	1.6
149.02217	0.4
165.01810	1.0
171.06499	1.3
175.64049	0.3
179.07010	0.7
180.03625	0.6
181.04939	23.9
182.05301	0.4
183.02969	0.7
207.06528	0.6
233.08069	1.9
251.09167	0.6
314.07376	1.0
315.04825	9.6
315.07809	1.3
325.10739	0.6
353.13821	0.5
353.24866	0.4
371.11179	17.3
371.26047	0.8
372.11292	0.8
386.00430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1121
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
50.95541	0.2
53.03923	0.2
54.38047	0.2
55.01861	0.2
55.73039	0.2
59.32674	0.2
65.03919	0.4
67.05499	1.3
68.99770	0.7
70.11725	0.9
79.05497	0.3
81.03371	0.4
91.05441	0.3
105.06994	0.9
105.27535	0.2
107.04908	0.3
117.07018	0.6
119.04903	0.4
119.08633	0.2
121.02827	0.6
123.00744	0.3
123.08010	0.3
129.06990	0.3
133.06464	0.3
135.04393	1.8
137.02327	4.3
137.03348	0.3
141.01773	1.1
145.06468	1.5
147.04402	1.7
149.02325	1.1
151.07455	0.2
155.13283	0.2
161.02321	2.2
163.03859	0.6
165.01816	8.5
167.03366	1.2
173.05948	0.7
176.01089	0.2
177.01826	1.1
177.05434	0.3
179.03349	1.0
181.04903	0.6
183.02870	2.9
188.99197	0.2
189.01823	0.9
190.02545	0.7
191.03271	0.3
197.05939	0.3
201.05484	1.3
203.03418	0.3
204.04131	1.1
208.03529	0.3
219.06467	1.3
239.51816	0.2
245.04417	0.5
255.06393	0.2
270.05167	0.3
271.05927	0.7
283.05954	3.6
287.05423	2.0
292.07199	0.3
295.05966	2.5
296.06750	0.3
297.07483	0.9
299.05463	28.6
300.05786	0.9
307.09567	0.6
309.07455	0.7
310.04672	0.7
311.05450	9.0
311.09106	1.9
312.05713	0.4
313.06931	0.8
320.06674	0.6
323.05429	6.2
323.09113	0.4
324.06244	4.9
325.06967	2.6
325.10666	1.3
335.05167	0.5
335.09094	6.8
336.09534	0.3
337.07007	4.9
338.07770	9.2
339.08304	0.5
353.10138	100.0
354.10425	4.0
371.11179	3.7
371.19769	0.4
372.11487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
51.02379	1.0
53.03941	1.3
55.01860	1.2
55.05493	1.2
55.89449	0.4
57.61533	0.5
65.03922	1.3
67.05489	2.4
68.99785	7.4
69.03419	0.8
69.07059	0.8
70.06590	0.6
70.42458	1.0
70.42845	1.7
70.78432	0.5
71.04977	0.5
73.92185	0.5
74.25705	0.5
77.03910	1.2
79.05494	3.6
81.03410	0.8
81.07044	10.2
83.04961	1.5
83.08591	0.7
85.02901	1.0
86.09676	0.5
91.05395	4.6
93.07032	1.7
95.04956	2.5
95.08587	1.6
103.05463	0.9
105.03375	1.7
105.07044	2.4
106.37727	0.6
107.04932	2.0
107.08586	1.3
109.06493	3.5
115.05444	1.1
115.40346	0.5
117.07018	1.5
119.04925	6.8
119.08572	1.3
121.02853	1.2
121.06491	1.2
123.04412	100.0
123.07983	1.2
124.04713	1.5
127.03874	0.6
128.06212	0.6
129.07005	0.6
131.04916	0.7
131.08551	0.6
133.02792	0.7
133.06505	1.0
135.04399	2.1
135.07991	0.5
137.02318	1.5
137.05949	2.2
139.03848	0.9
145.06476	1.6
147.04393	20.1
147.05545	1.2
149.02393	0.6
149.05951	6.1
151.03903	2.1
151.07523	1.1
153.01823	0.5
153.05461	1.1
155.28146	0.5
159.04347	0.5
159.08058	1.2
161.02368	1.0
161.06020	0.7
162.78532	0.6
163.03889	1.7
163.07422	0.5
165.01787	2.5
165.05508	0.9
167.03352	1.3
167.07033	1.6
173.06000	0.9
175.03891	1.1
175.07600	1.2
176.04727	0.7
177.01805	2.7
177.05460	8.6
179.03337	1.3
181.04942	5.1
183.02916	2.0
187.07495	0.7
189.05444	1.4
191.03319	0.9
191.06984	1.0
193.04936	1.4
193.08585	10.2
195.06464	1.0
197.05972	1.0
201.05533	2.6
203.03302	1.3
215.06889	1.1
217.04964	1.0
219.06505	25.8
220.06822	0.7
231.06303	0.6
235.05898	7.9
237.05437	1.0
237.07588	4.4
247.07549	0.7
255.06413	2.7
269.07809	0.6
271.05783	0.7
282.05322	0.6
283.06015	7.3
292.07220	0.7
293.08157	0.6
295.06006	2.6
295.09024	0.6
297.07700	1.0
297.11099	5.7
299.05469	1.5
307.09650	1.4
311.09238	0.8
315.04932	2.2
321.11255	0.8
325.10675	18.7
326.11130	0.7
335.09219	1.8
353.05988	0.9
353.10123	12.2
355.06796	1.1
371.11203	18.3
371.14932	0.8
372.11395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1121
Annotation	(+)-DCA-CL
Peak:m/z	Relative Intensity
53.13073	0.7
55.01858	1.3
55.05485	1.5
57.03418	0.7
57.07025	0.5
59.04995	2.5
65.03918	0.9
67.05503	4.0
68.99768	0.7
69.03417	1.1
69.07043	1.3
70.05688	1.0
70.06079	1.5
72.24242	0.5
79.05474	2.2
81.03410	0.6
81.07035	2.4
83.04957	0.9
83.08594	1.4
84.08106	0.7
85.02903	0.8
91.05417	6.5
93.07031	1.7
95.04965	1.1
95.08586	0.6
97.10148	1.0
101.05980	0.7
103.05460	0.8
105.03382	1.3
105.07010	2.3
107.04937	2.4
107.08559	0.6
109.02847	0.6
109.06507	1.4
109.10147	2.5
111.04426	1.0
111.57355	0.5
113.27853	0.5
119.04108	1.0
119.04926	10.0
119.08580	1.0
121.02852	2.0
121.06521	0.5
121.10104	0.8
121.39444	0.6
123.04419	5.4
123.08043	0.9
125.09595	0.8
128.06215	0.6
129.06932	1.0
131.04910	2.3
131.08577	0.9
132.05655	2.0
133.06508	0.9
133.10100	0.7
135.04417	1.3
137.02309	3.9
137.05975	4.0
141.01811	2.3
145.06467	1.2
147.04405	8.7
149.05933	1.4
149.09641	0.6
151.03856	2.1
151.07500	2.7
153.05455	1.6
157.06445	0.8
159.08035	1.0
161.02321	0.9
161.05939	1.3
163.03873	1.7
165.01820	6.6
165.05478	0.9
167.03380	1.1
167.07077	3.8
169.06436	0.5
173.05872	0.6
175.07477	1.2
177.01843	1.3
177.05492	1.2
179.03438	1.2
179.07007	1.0
181.04906	2.8
183.02840	4.1
187.07550	0.8
191.06982	1.3
191.08597	0.7
192.07784	0.8
193.10130	0.5
197.04456	0.6
201.05379	0.5
205.08408	0.6
207.06464	0.6
213.05627	0.6
217.04924	1.2
217.08592	1.9
218.07146	0.7
219.06519	1.6
219.08302	0.7
219.09961	1.0
229.04935	0.8
235.05954	1.5
261.09003	0.9
263.07065	0.7
265.08618	0.6
267.06464	0.9
269.04428	0.5
270.05304	1.3
271.06061	1.0
279.10040	1.2
283.05978	30.4
284.06454	1.6
287.05328	0.6
292.07220	0.7
295.06009	6.9
295.09119	1.1
297.07541	2.1
297.10886	0.9
299.05487	8.8
301.10693	0.9
307.09592	0.8
309.07620	1.0
309.11337	0.7
311.05557	3.1
311.09061	31.8
312.09537	1.4
315.04956	26.7
316.05331	1.1
317.05386	0.6
321.11053	0.7
323.05347	2.1
323.09143	3.9
324.06161	1.4
325.07169	0.5
325.10733	7.8
335.09045	10.7
337.06863	0.9
338.07828	2.0
339.12231	9.6
353.10138	100.0
354.10501	4.3
371.11093	10.5
371.14981	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	370.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26555	0.4
53.03923	0.6
55.01862	0.7
57.03436	0.5
57.07056	1.6
65.03955	0.4
67.05499	0.7
69.03424	1.6
69.51256	2.4
69.51671	1.0
70.06586	2.2
72.08142	1.0
73.02919	0.5
73.04736	0.8
81.03419	1.5
81.06979	0.4
84.04492	0.6
84.08138	1.1
85.02880	2.9
85.06512	1.1
86.09698	1.3
87.04500	0.5
91.05378	1.6
91.05788	3.6
95.04942	0.9
95.06126	0.5
97.02885	1.1
97.06521	0.6
105.07021	0.7
107.04939	1.7
109.02856	0.8
110.07149	1.5
118.89908	0.4
119.04939	12.1
119.50011	0.5
120.05275	0.6
123.04440	2.1
127.03862	1.0
133.02827	0.6
135.04462	0.9
137.05969	1.2
139.03886	0.5
146.05927	0.8
147.04399	100.0
148.04745	3.1
153.05467	1.1
156.05670	0.8
159.10170	2.1
163.03896	1.2
164.04228	0.7
165.05501	0.7
167.07039	0.8
175.07512	0.5
177.05420	0.7
177.11246	0.8
179.03371	1.6
190.08636	1.5
191.07019	0.5
193.08604	1.1
208.09674	31.0
209.04454	0.7
209.10037	1.7
217.08611	1.3
221.09642	0.5
233.15254	0.5
241.08647	0.6
268.97864	0.7
285.00986	1.5
285.07471	0.5
293.11758	0.5
300.09949	0.5
321.11142	0.8
332.90445	0.4
334.09058	0.5
355.06946	1.3
370.15002	0.8
371.16684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99686	0.7
56.05019	2.6
56.96568	1.1
61.01134	1.9
67.04066	0.8
68.05011	3.5
69.03397	1.4
69.61536	0.8
70.06582	1.9
71.04978	0.8
71.52027	0.9
71.52422	1.0
72.08094	0.8
73.04739	1.9
81.07046	0.8
81.77840	0.8
84.04507	1.2
84.08106	1.3
85.02887	3.3
86.09673	2.2
89.03885	0.8
91.05770	7.8
95.04980	1.2
96.04482	1.0
97.02866	2.2
97.38269	0.7
105.03359	1.0
107.04933	1.1
109.02882	1.2
110.07145	1.8
113.06386	1.7
113.07114	20.1
117.03391	1.3
119.04919	15.6
123.04401	5.0
130.04984	3.0
133.02866	1.9
136.07584	6.5
137.05963	1.7
145.02840	1.9
146.03316	1.1
147.04387	100.0
148.04726	2.4
150.03114	1.8
151.03912	0.9
161.07437	5.4
163.03870	2.1
165.05490	3.1
167.03409	1.3
173.05946	0.9
177.05424	2.5
178.05782	1.3
179.03333	6.0
182.08083	5.3
183.08179	1.0
189.06877	2.7
190.08574	0.9
195.02919	5.2
196.99049	2.7
208.09674	23.5
219.08029	1.7
237.02861	0.9
248.08194	1.1
264.07718	1.4
268.97775	2.0
277.08310	1.0
285.00906	3.1
303.01926	1.1
311.12540	1.1
316.08817	2.1
319.09048	1.5
325.10254	1.5
339.11957	3.5
352.12469	1.0
355.06714	2.4
355.11212	1.1
370.14139	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	370.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01865	2.5
55.05505	2.4
56.05031	2.5
57.03420	4.5
67.05485	11.7
68.99763	2.9
69.03423	27.7
70.06587	10.8
70.33296	5.2
71.04986	2.3
71.19495	2.0
72.08121	3.3
79.05469	3.2
81.03406	30.7
81.07047	3.6
81.64793	2.1
84.04512	2.9
84.08115	4.6
84.96749	2.1
85.02904	29.9
86.09678	6.1
87.00816	8.9
91.05413	2.3
92.05791	2.3
95.04942	10.1
97.02876	6.8
107.04912	2.2
107.67885	1.8
109.02863	14.2
110.07126	3.1
112.07676	2.3
116.07034	1.9
120.08041	9.1
121.10118	2.8
122.05975	5.4
123.04408	3.1
127.03891	12.9
137.05978	3.3
140.06996	12.8
150.09120	2.7
152.07043	100.0
167.07074	3.8
173.05992	4.9
178.08612	6.2
179.03436	2.8
189.03899	8.2
192.10179	10.5
202.08630	2.5
206.08080	5.8
208.06909	2.7
208.85439	2.2
219.13284	1.9
220.09708	16.5
248.09171	70.7
249.11295	4.0
274.00641	2.4
299.05463	8.4
334.09152	5.0
343.08066	2.5
346.10001	1.9
355.06259	2.0
370.09119	3.1
370.13382	2.7
371.07410	4.1
371.16702	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
51.24340	9.6
53.03945	15.4
55.01904	11.0
55.05511	28.7
55.12614	10.9
56.58598	10.0
61.04038	10.0
67.05521	50.7
69.03427	15.6
69.07063	45.7
69.71830	10.5
71.04981	10.5
71.52926	18.1
79.05476	44.7
81.03401	10.8
81.07050	63.7
85.06558	11.8
91.05473	50.4
93.07046	57.4
95.04967	33.1
95.08604	85.7
105.07015	71.7
107.08607	71.4
109.06526	13.1
109.10152	46.3
111.08063	46.7
117.07014	26.7
119.08595	100.0
119.96918	10.3
121.06484	17.2
121.10123	54.8
123.08053	20.6
123.11715	13.4
129.06960	28.2
131.08560	58.2
133.10149	76.9
135.08034	22.2
135.11728	19.3
137.05960	73.0
137.09639	13.8
141.06943	11.6
143.08545	51.6
145.10141	57.8
147.08043	21.3
147.11684	21.6
149.09595	30.8
155.08589	20.1
156.09348	26.3
157.10144	50.6
159.08029	18.6
159.11700	44.8
161.09608	12.0
161.13347	13.9
163.07515	19.0
167.08453	13.2
169.10152	16.5
171.11736	38.3
173.13280	30.6
175.14844	38.8
177.09068	21.9
183.11728	24.6
185.13292	16.3
187.14865	29.9
189.12753	11.5
195.11575	17.3
199.11203	14.1
199.14865	20.8
201.12740	12.9
209.13225	23.0
211.11168	18.5
211.14781	17.0
213.16537	18.0
221.13271	11.8
223.14641	13.1
233.15350	23.3
285.18466	17.4
351.22971	29.5
369.24124	83.4
369.31601	17.7
380.07831	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01805	3.1
53.03919	4.4
55.01851	8.4
55.05500	31.4
57.03399	4.3
57.07064	8.7
67.05495	100.0
69.03399	3.7
69.07059	22.3
71.04970	4.0
71.08609	15.0
71.46383	3.7
71.53132	5.4
79.05488	51.2
81.03407	4.8
81.07043	68.1
83.04943	11.2
83.08615	18.9
91.05450	29.5
93.07028	67.5
95.04942	13.9
95.08588	39.0
97.06497	6.5
97.10137	24.1
99.08054	12.8
105.07008	33.1
107.08582	59.8
109.06448	4.7
109.10141	61.9
111.08060	4.6
117.07000	6.5
119.08559	20.3
121.10144	31.3
123.08052	5.6
123.11666	7.2
125.09597	17.9
129.07016	5.5
131.08543	12.3
133.10094	25.0
135.08029	6.5
135.11656	31.5
141.42093	3.5
143.08482	8.8
145.10118	13.2
147.11673	12.4
149.09604	6.5
149.13239	19.0
151.11133	8.3
159.11678	5.9
161.13200	13.0
163.14821	5.8
165.12732	4.9
171.11705	5.7
173.11777	4.9
173.13266	5.6
175.14767	6.2
179.14258	36.5
185.13196	5.8
189.11227	20.0
227.12703	11.5
231.21063	3.7
233.08038	7.5
235.17012	3.9
241.19577	12.1
245.13834	7.2
259.20526	17.4
277.21597	58.8
313.06903	9.8
324.80991	4.4
351.25330	46.3
369.13110	15.4
369.23883	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.1
55.01862	11.4
55.05511	36.0
57.07058	8.2
67.05500	64.3
69.07065	44.4
70.93174	13.1
70.93514	6.5
73.14650	5.4
79.05486	51.4
81.03408	77.9
81.07047	66.6
82.99017	5.4
83.04971	18.9
83.08593	12.7
91.05482	29.4
93.07033	47.4
95.04963	44.0
95.08603	40.5
105.07008	29.1
107.08578	34.3
109.06470	9.9
109.10133	27.5
117.06919	5.8
119.08555	19.1
121.10118	13.3
123.08020	6.5
123.11643	10.8
125.09614	13.3
131.08586	9.9
133.10126	25.8
135.08047	7.6
135.11688	6.3
147.11671	12.8
149.13216	5.9
151.07671	5.5
151.11191	52.0
157.10274	6.6
161.13283	17.6
165.12752	15.2
171.11676	9.4
177.12762	8.3
231.20976	11.2
244.14421	6.0
249.22139	7.5
259.20612	9.7
277.21597	100.0
313.07059	14.1
351.25296	59.8
369.24014	7.4
373.32983	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	369.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01862	6.0
55.05505	4.8
57.03428	3.5
57.07052	0.8
57.28425	0.4
64.24657	0.3
67.05500	5.9
67.70553	0.4
69.07065	5.5
69.77958	0.6
69.78371	1.8
71.08605	0.5
72.93695	0.4
79.05488	5.2
81.07045	29.9
82.07388	0.7
83.04977	2.6
83.08612	1.9
85.06539	0.6
91.05460	3.8
92.97620	0.3
93.07030	5.0
95.04955	0.8
95.08592	5.0
97.06525	1.5
97.10160	0.5
101.09592	0.4
105.07020	3.7
107.08576	5.0
109.06506	11.5
109.10165	3.2
111.04427	17.3
111.08060	1.4
112.04779	0.4
117.07027	0.7
119.08566	5.3
121.10136	3.7
123.08096	2.1
123.11677	2.0
125.05988	6.6
128.06213	0.4
131.08501	2.5
133.10112	5.3
135.08037	2.5
135.11664	4.7
137.05960	100.0
137.13193	1.5
138.06256	2.4
139.07556	0.8
142.07794	0.6
143.08536	1.9
145.10095	1.6
147.08035	1.8
147.11661	6.9
149.09625	3.9
149.13229	1.3
151.03894	0.7
151.07547	2.9
151.11133	1.2
157.10078	2.4
159.11673	0.5
160.08716	0.4
161.09587	6.6
161.13173	1.9
163.11172	3.2
163.14815	1.1
165.09084	2.7
165.12747	0.8
167.10649	0.5
171.11668	1.1
173.13293	0.4
175.11179	4.2
175.14842	1.3
177.09019	0.5
177.12721	0.5
179.10680	2.5
181.12273	0.7
181.58850	0.4
185.13164	0.5
189.12720	1.4
193.12207	1.4
195.11714	0.4
199.11066	0.5
203.14063	0.4
203.17912	7.3
205.19460	0.8
207.13672	0.4
213.16315	2.5
221.19019	2.5
223.14827	0.9
231.17410	10.5
241.15842	1.5
249.18478	13.3
259.16925	0.8
277.17950	64.3
278.18292	3.6
295.19022	11.0
296.19492	0.6
297.07483	0.8
302.76486	0.4
337.10513	0.5
351.21616	8.9
352.21854	0.6
367.85727	0.4
369.09576	1.6
369.13416	1.0
369.22519	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01863	8.7
55.05499	5.4
56.05002	4.1
57.03417	12.6
59.05000	16.9
61.02920	9.4
61.98649	3.3
65.03915	4.9
67.05490	13.3
68.00651	3.6
68.56260	3.1
69.03421	55.8
69.07069	6.5
70.00903	11.5
70.01309	7.4
70.06583	16.8
71.04975	5.8
72.08127	5.9
73.02903	8.1
79.05480	9.4
81.03418	19.3
81.07058	17.8
83.01337	3.6
83.04964	13.3
84.08126	4.3
85.02899	56.5
85.06519	3.8
86.09676	13.8
87.04465	4.5
91.05474	44.7
93.07028	12.3
95.04967	21.9
95.08587	10.4
97.02889	37.1
97.06504	8.0
99.04420	6.6
101.14730	3.0
103.03933	3.6
105.07015	34.0
107.04951	7.9
107.08584	24.7
109.02853	13.4
109.06508	57.8
109.10145	13.6
110.07101	6.2
111.04431	4.1
111.08072	4.3
115.05451	4.6
117.03362	4.5
117.07014	4.2
119.04926	20.6
119.08564	38.4
120.08111	6.2
121.06519	5.6
121.10128	22.8
123.04353	4.6
123.08053	75.0
123.11652	5.4
127.03915	25.6
128.06230	3.7
129.07021	9.3
131.04988	5.4
131.08563	40.0
133.06458	14.8
133.10091	9.1
135.04366	9.0
135.08043	7.5
135.11678	5.6
136.19333	3.1
137.02356	4.9
137.05930	7.3
137.09570	6.3
139.11176	8.4
141.01746	4.5
143.08524	5.7
145.04936	11.2
145.10092	9.4
147.04408	15.8
147.08035	40.0
147.11664	13.7
149.05920	12.3
149.09602	34.8
151.07526	100.0
151.11086	4.3
156.09315	12.8
159.07907	3.5
159.11708	7.4
161.05972	7.4
161.09572	10.8
161.13176	8.7
163.03889	29.5
163.11165	17.2
165.01816	27.0
165.12747	7.8
167.06956	4.0
171.11687	28.0
173.09630	3.9
173.13277	4.1
175.03856	23.9
177.05545	5.8
183.02847	23.0
187.11171	4.4
189.12735	91.4
200.11421	3.9
203.14293	3.5
205.12247	6.3
207.06476	47.7
207.13776	92.5
247.09709	3.9
273.14728	5.0
285.07498	19.7
351.11365	5.2
351.17667	5.8
351.21606	6.1
369.09378	6.0
369.13452	12.7
369.18872	42.2
374.77707	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	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01861	1.8
55.05486	1.1
57.03426	3.1
57.07061	0.9
59.04982	1.7
61.02917	4.5
65.03918	1.1
67.05482	1.9
69.03423	24.9
69.05989	0.5
69.07061	0.6
69.83952	0.4
69.87872	0.7
69.88287	1.9
70.06577	1.5
71.04972	1.9
73.02917	2.5
79.05491	2.6
80.82206	0.4
81.03415	8.3
81.07037	3.4
83.04960	1.8
85.02898	27.2
85.06509	0.6
86.09676	1.0
87.04454	2.5
90.20294	0.4
91.03941	2.0
91.05462	11.3
93.07029	2.4
95.04964	4.3
95.08595	2.8
97.02885	11.7
97.06528	0.6
99.04432	2.0
103.05473	1.1
105.07015	5.5
107.04935	1.8
107.08571	2.6
107.66849	0.5
108.05708	0.4
109.02852	4.3
109.06503	25.3
109.10133	0.7
110.06985	0.5
111.04433	1.8
111.08076	1.8
115.05448	0.7
116.06196	0.7
117.07006	1.4
118.04095	0.5
119.04930	4.2
119.08568	10.6
120.08099	1.7
121.02882	0.7
121.06484	1.1
121.10143	2.2
123.04379	1.0
123.08057	8.0
127.03905	6.8
128.06250	0.8
129.06956	2.4
130.07762	0.5
131.08546	17.4
133.06480	5.6
133.10091	2.2
135.04396	2.2
135.08049	2.8
137.05939	0.9
139.03874	2.9
141.07002	0.7
143.08528	1.8
145.04947	4.7
145.06522	0.8
145.10091	3.1
146.07285	0.5
147.04433	3.2
147.08028	17.1
147.11684	2.2
149.09627	2.5
149.78491	0.5
151.07526	100.0
152.07849	1.9
153.05417	2.2
156.09317	3.3
159.08055	0.8
159.11644	1.0
161.05994	1.3
161.09596	3.0
163.03874	1.2
163.11166	10.8
165.09113	0.7
165.12733	1.9
167.07074	0.6
171.11664	8.3
173.13263	0.5
174.10381	0.5
175.03882	5.5
175.07501	0.7
177.05475	1.5
178.04906	0.5
179.06998	0.6
179.10643	0.5
185.13120	0.6
189.12721	37.7
190.13089	1.4
191.14331	0.9
192.04141	0.5
201.09041	1.1
207.06511	11.0
207.13780	35.2
208.06984	0.8
208.14087	1.3
214.91383	0.6
219.10147	1.0
231.13797	1.7
247.07481	0.5
247.09650	2.2
265.10797	1.0
299.05573	0.9
328.27036	0.5
351.10999	0.8
369.05920	0.6
369.09778	1.7
369.13474	1.6
369.19138	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	369.1329
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
52.38693	0.2
55.01825	0.3
66.18586	0.3
68.05370	0.2
70.23332	0.4
70.23736	0.6
82.75634	0.2
83.01331	1.7
83.24238	0.3
95.04914	0.5
109.02811	0.4
119.26152	0.3
123.00725	0.4
123.04346	0.3
135.04396	1.2
137.01408	0.4
137.02325	5.0
141.01805	2.0
149.74518	0.2
151.03888	2.6
155.03302	0.7
157.54453	0.3
169.04893	0.4
171.36014	0.2
177.05457	0.5
179.03371	20.6
180.03651	0.4
197.04430	6.9
200.78882	0.2
223.19331	0.2
236.07996	0.2
285.07553	0.4
313.07019	100.0
314.07330	4.5
369.13315	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	369.1327
Annotation	curcumin
Peak:m/z	Relative Intensity
53.03919	0.8
55.01849	0.9
55.05500	3.6
57.03397	1.3
57.07046	0.9
57.95448	0.3
65.03905	0.4
67.05492	9.0
68.99755	1.3
69.03414	0.5
69.07055	2.6
69.47746	1.5
69.48175	1.6
79.05073	0.5
79.05482	6.9
81.06605	0.6
81.07043	9.3
83.01327	8.7
83.04951	0.7
83.08606	2.1
91.05458	3.9
93.06497	0.4
93.07038	5.6
95.04922	1.6
95.08595	4.4
97.06506	0.6
97.10146	2.5
98.20799	0.7
99.08086	0.5
103.05464	0.4
105.07015	3.4
107.04900	1.5
107.08566	5.9
109.06493	6.6
109.09475	0.6
109.10143	6.3
111.08090	0.5
117.06985	0.8
118.82837	0.5
119.08552	2.1
121.06453	1.2
121.10119	2.5
123.04392	1.5
123.07999	0.6
123.11671	0.6
125.09579	1.5
128.06255	0.4
129.06966	0.5
131.08548	3.3
133.10138	2.0
135.04384	2.2
135.08006	1.3
135.11673	2.3
137.02188	0.5
137.05959	0.5
137.09596	1.0
139.53450	0.4
141.06950	0.5
143.08501	0.7
145.02866	0.5
145.10072	1.0
147.08061	0.6
147.11673	1.8
149.02338	0.5
149.05911	1.1
149.09583	0.9
149.13229	1.0
150.41162	0.4
153.01758	1.5
153.05406	0.7
153.12752	0.4
159.08020	2.8
159.11633	0.9
163.03882	3.5
163.07454	1.1
165.09045	1.7
171.11636	0.6
173.11700	0.6
173.13191	0.4
175.14821	0.5
177.05414	2.5
177.09026	1.9
179.03345	1.5
181.04993	2.4
187.07471	0.8
187.14891	0.5
189.05461	0.5
189.11140	1.6
190.06187	1.3
191.03357	11.5
191.07001	2.8
193.04941	1.4
195.06506	2.4
197.04378	0.5
204.04239	0.7
205.04932	0.9
205.08511	3.6
209.04366	0.6
211.05925	0.5
215.06940	2.4
218.05704	2.2
221.47076	0.4
227.12773	1.5
233.08041	100.0
234.08376	2.3
236.06819	0.4
241.19386	0.8
243.30324	0.4
245.13667	0.8
246.66879	0.6
251.09093	7.4
259.09784	0.8
259.20538	2.0
277.21603	5.7
313.07010	1.2
327.12198	1.5
351.25403	3.0
369.13278	45.6
369.23355	0.9
370.13751	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Neorautanol
Peak:m/z	Relative Intensity
51.40371	0.3
53.03939	0.7
55.01854	0.9
55.05509	0.5
55.34737	0.3
57.03416	0.4
65.03931	1.0
67.05489	1.4
69.03432	1.8
69.94521	1.3
69.94926	0.8
70.06558	0.4
71.04984	0.6
72.77552	0.4
73.02895	0.5
79.05471	0.8
80.10985	0.4
81.03414	5.2
81.07027	0.9
83.01353	1.0
85.02892	0.9
91.05477	6.0
93.07032	0.5
95.04940	0.9
99.04415	0.5
103.05469	0.4
105.07024	1.1
107.04926	0.6
109.02903	2.0
117.06976	0.8
119.04939	8.9
119.08575	0.5
121.02852	4.7
123.00832	0.5
123.04420	1.4
127.03892	0.9
129.06921	0.5
131.04938	0.5
132.02066	0.6
133.06526	0.4
133.10089	0.5
135.04398	1.2
137.02348	8.4
137.03409	0.8
139.03929	0.8
141.01828	2.6
145.02802	0.9
147.04399	6.3
149.02351	0.7
151.03906	2.8
153.05531	0.4
155.03394	0.7
157.03960	0.6
161.02327	0.4
163.03882	1.1
165.01840	0.9
169.06433	0.5
175.03900	9.9
175.07542	0.3
177.01907	0.7
177.05513	0.6
179.03389	18.0
179.06897	0.7
180.03569	0.4
183.03020	0.4
185.06013	0.7
192.04211	0.5
197.04459	6.8
197.06061	0.6
201.05469	0.9
203.03380	0.8
207.06514	18.7
213.05588	0.6
216.97760	0.4
219.06534	0.5
225.05441	0.7
233.08025	0.9
234.06738	0.5
241.04851	0.5
266.05814	0.5
269.08072	1.1
273.03775	0.4
277.08545	0.8
281.08057	0.9
283.05930	0.4
285.07617	3.8
295.05917	0.7
295.09497	0.6
297.07562	100.0
298.07932	3.1
299.05420	1.8
302.04306	0.4
308.06790	0.8
309.07428	2.6
309.10703	0.5
311.05551	1.0
311.08954	0.7
313.06964	0.8
315.04950	12.9
316.05289	0.7
321.07562	1.2
322.08337	0.9
323.09109	1.5
327.04990	3.9
327.08603	1.0
333.11188	1.0
335.08951	0.8
336.09940	1.6
337.10577	0.5
339.04974	3.2
340.05762	2.3
341.06494	1.3
351.12393	12.8
353.06470	2.0
354.07281	2.5
369.09601	53.1
369.13412	34.7
370.09708	2.4
370.13748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
53.03882	0.3
55.01780	1.1
55.05413	1.2
55.05698	0.3
57.03350	0.5
58.59937	0.2
65.03876	0.3
67.05392	3.5
67.05785	0.6
68.99700	0.4
69.03313	0.6
69.03662	0.2
69.06959	0.7
70.07452	0.7
71.08521	1.0
79.05373	1.6
81.03308	0.7
81.03738	0.3
81.06934	2.2
83.01225	3.2
83.01758	0.3
83.04902	0.4
83.08510	0.6
85.10078	0.2
91.05353	1.4
93.03310	0.2
93.06905	1.1
95.04835	1.8
95.08580	1.6
97.06431	0.3
97.10075	0.5
97.10628	0.2
99.07948	0.8
104.44448	0.2
105.03300	0.2
105.06892	1.0
107.04882	0.4
107.08576	1.4
109.02778	0.5
109.06390	0.5
109.10147	1.8
113.09447	0.2
117.06911	0.4
119.08454	0.9
119.09230	0.2
121.10044	0.3
123.04296	0.9
123.07924	0.2
123.11608	0.3
125.09555	0.5
127.03814	0.3
129.06902	0.3
131.08444	0.4
133.10022	0.3
135.04396	1.2
135.11572	0.5
137.02319	5.3
137.03275	0.4
137.09512	0.2
141.00755	0.2
141.01785	2.9
145.09972	0.4
147.11546	0.4
149.13153	0.4
151.03882	4.6
151.05011	0.2
151.11177	1.0
155.03410	1.4
161.02234	0.3
163.11070	0.2
165.12567	0.6
168.05595	0.3
169.01860	0.2
169.04901	1.6
173.11623	0.8
175.03812	0.4
177.41125	0.2
177.79092	0.2
179.03369	20.3
180.03662	0.3
183.07976	0.6
189.11002	0.4
195.88956	0.2
197.04424	8.5
211.07487	0.3
229.08528	0.5
229.14175	0.4
239.06863	0.5
241.19298	0.4
257.07919	0.8
259.20380	0.5
267.06354	0.8
269.17120	0.3
277.08456	0.3
277.21570	1.9
285.07562	1.5
295.06009	0.6
309.11081	0.4
311.05539	0.3
313.07007	100.0
314.07343	4.4
337.10635	0.6
351.25107	0.7
369.13327	6.7
369.26456	0.4
370.13666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1328
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
55.01856	1.3
55.05476	2.5
55.70416	0.5
57.03423	1.2
65.03928	0.8
67.05503	7.8
68.99751	2.0
69.03394	0.6
69.07033	2.2
69.78148	1.2
69.78563	2.6
70.40025	0.6
71.04948	0.7
71.08600	1.5
79.05471	3.7
81.03412	0.6
81.06606	0.6
81.07045	8.5
82.07410	0.7
83.01338	6.5
83.04955	0.6
83.08622	0.8
90.55019	0.6
91.05460	4.1
91.92229	0.6
93.07025	2.8
95.04909	2.3
95.08586	5.3
97.06464	1.0
97.10117	1.0
99.08039	1.4
105.06975	1.4
107.04919	2.0
107.08573	2.9
109.06511	5.2
109.10114	2.5
113.09644	0.6
115.05453	0.6
117.06976	0.6
119.04919	2.3
119.08534	2.5
121.02866	3.9
121.06443	1.0
121.10125	1.3
123.04397	1.2
123.08068	0.8
129.06964	0.8
131.08554	2.8
133.10057	1.2
135.04340	1.7
135.08002	0.8
135.11681	0.8
137.02296	1.7
137.05928	1.7
137.09607	1.4
145.02853	2.7
147.04356	1.8
147.11592	0.7
149.05971	0.9
149.09596	1.1
149.13153	0.7
151.03877	2.5
151.11192	1.1
153.01784	2.1
159.07982	2.6
163.03877	3.7
163.07510	0.7
165.09061	1.0
165.12967	0.6
169.04912	1.6
169.06328	0.9
173.11702	1.2
175.03833	0.9
177.05432	2.6
177.09047	1.2
179.03363	8.0
181.04936	2.2
187.07498	2.4
190.06265	0.9
191.03384	10.1
191.07021	2.4
195.06477	1.2
197.04459	3.7
204.04106	1.2
205.04877	1.2
205.08519	3.0
215.06978	2.8
216.73491	0.5
217.08362	0.6
218.05655	2.7
233.08058	95.3
234.08430	2.0
241.08633	0.5
245.07895	0.9
248.08270	0.9
249.09195	0.7
251.09119	7.7
254.05420	0.5
255.06569	1.0
264.07751	0.6
269.08102	5.2
276.07877	0.8
277.08517	1.5
277.21649	3.3
279.06290	0.8
281.08020	2.4
285.07510	3.5
293.08179	1.5
295.09659	1.1
297.07547	34.1
298.07990	1.6
307.06030	0.8
308.06732	0.9
309.07535	5.0
309.11169	2.2
311.08853	1.1
313.07004	2.1
318.08810	0.8
321.07468	4.3
322.08319	5.0
323.09073	1.1
323.12585	0.8
327.12134	1.0
333.11127	3.5
335.09171	2.0
336.09848	5.4
337.10718	3.9
341.70251	0.6
342.83701	0.7
351.12231	29.3
351.24918	1.0
352.12546	1.2
369.13287	100.0
370.13556	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	369.133
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
50.43938	0.3
53.86934	0.3
55.01850	0.4
55.05503	0.6
55.99748	0.4
58.51290	0.3
65.03930	0.5
67.05477	1.5
69.82450	2.1
79.05461	0.8
81.07027	0.9
83.01334	0.6
86.13985	0.3
91.05463	1.3
93.07038	0.4
95.08555	0.5
96.69116	0.3
105.07072	0.7
107.04956	0.6
107.08591	0.5
109.10139	0.7
119.04914	2.0
119.08527	0.5
119.34959	0.3
121.02853	4.1
121.10117	0.4
128.06189	0.6
131.04950	0.6
135.04369	0.6
137.02316	0.5
141.01804	0.5
145.02831	2.6
145.06418	0.4
146.71391	0.4
147.04367	0.4
151.03903	0.7
158.91658	0.3
159.08028	0.9
159.25262	0.3
163.03807	0.8
167.03438	0.5
173.06126	0.4
176.43498	0.4
177.05632	0.4
179.03362	5.9
181.04913	1.5
184.39236	0.3
187.07520	0.9
191.03441	0.9
193.04959	0.7
197.04391	1.8
203.03360	0.9
204.04144	0.8
205.04895	0.4
215.06960	1.2
216.18832	0.3
218.05721	1.6
229.05074	0.5
233.08075	0.7
243.06616	0.8
257.04517	0.6
267.06378	0.5
268.07144	0.4
269.07941	0.6
279.06491	0.4
280.07019	0.5
281.08060	4.5
283.05869	0.6
284.06625	0.6
285.03885	2.0
285.07568	1.5
290.09308	0.7
293.08090	2.8
295.06061	0.7
295.09631	1.2
297.07547	24.2
298.07828	0.9
305.11679	0.6
307.06213	0.4
307.09613	1.0
308.06699	1.9
309.07516	7.7
309.11172	2.2
311.09174	0.7
313.03351	3.4
313.07004	1.5
318.08853	1.9
321.07516	9.8
322.08252	5.9
323.09085	1.9
323.12796	1.3
333.11151	7.2
335.09131	4.1
336.09869	8.5
337.10498	0.8
351.12216	100.0
352.12543	4.0
369.09427	0.8
369.13303	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	369.1329
Annotation	5,4'-Dihydroxy-5''-(1-hydroxy-1-methylethyl)-4''-methoxyfurano[2'',3'':7,6]isoflavone
Peak:m/z	Relative Intensity
50.79446	0.4
55.05497	1.4
57.03443	2.1
59.04988	0.7
65.03936	0.4
67.05502	5.0
69.03397	0.5
69.07056	1.0
71.04979	0.7
71.13338	0.9
79.05487	3.1
81.07057	4.7
83.01337	1.4
83.08599	0.8
91.05474	2.5
93.07020	3.0
95.04942	0.8
95.08609	3.9
105.07025	1.5
107.04988	0.6
107.08599	1.4
109.06514	0.5
109.10147	1.4
109.64331	0.4
117.07036	0.5
119.04948	1.8
119.08570	2.1
121.02863	3.1
121.06532	0.4
121.10126	2.2
121.73624	0.4
123.04497	0.7
131.08568	1.3
133.10147	0.9
135.04390	0.4
135.11668	1.0
136.02745	0.4
137.02324	2.1
141.01811	0.9
145.02861	1.2
145.10104	0.8
147.04477	0.7
147.07973	0.4
147.11620	0.9
149.13249	0.5
151.03864	2.4
155.03403	0.7
157.10158	0.6
159.11690	0.6
163.03894	0.7
168.45457	0.4
169.05029	0.7
173.13202	0.7
175.03963	0.5
177.05441	0.7
179.03375	13.7
191.03310	0.6
193.04999	0.7
197.04459	5.6
207.17485	0.5
227.07307	0.4
233.08070	1.2
240.38750	0.5
269.08133	3.4
277.08524	0.8
281.08099	3.0
284.07068	0.4
285.07529	1.7
293.08014	1.2
295.09500	0.6
297.07550	50.4
298.07968	2.0
305.08005	0.5
307.06134	0.6
307.09641	0.6
308.06833	1.5
309.07614	6.9
309.11087	1.0
310.08069	0.5
311.09177	2.5
313.07123	2.2
315.05188	0.6
318.08862	0.5
321.07635	2.7
322.08234	1.6
323.09290	0.9
323.12872	1.6
324.52374	0.4
333.11218	1.7
335.09100	1.2
336.09814	3.0
337.10703	1.0
351.12207	13.8
352.12637	0.8
369.13327	100.0
370.09628	0.7
370.13602	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	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03929	1.8
55.01858	0.9
55.05497	0.7
57.03425	1.2
62.11620	0.6
65.03919	2.2
67.05487	0.9
69.03419	7.3
69.07043	0.7
70.06606	0.7
71.04976	1.4
71.05802	1.2
71.82089	0.6
73.02887	1.1
75.98559	0.5
76.08638	0.6
77.03927	0.7
79.05485	1.6
81.03413	13.1
81.07048	1.3
83.04974	0.7
84.04494	0.6
84.08123	0.9
85.02885	5.3
86.09713	1.7
89.03874	0.9
91.05474	25.5
93.07007	1.0
95.04955	2.2
95.08598	2.0
96.55207	0.5
97.02876	2.5
97.06491	0.8
98.40010	0.6
99.04438	2.3
99.50428	0.5
103.05455	1.3
105.03352	0.6
105.07024	2.7
107.04944	1.4
107.08570	1.3
109.02853	6.0
109.06501	0.7
109.10130	0.7
110.07107	0.7
111.04435	1.0
117.06996	1.2
119.04930	34.7
119.08557	0.9
121.02847	0.6
121.06450	1.7
123.04416	2.4
127.03874	2.6
131.04845	1.0
131.08525	0.7
132.02017	2.4
133.02847	0.9
133.06493	1.8
133.10132	1.7
135.04407	5.5
135.08044	1.3
137.02335	1.9
137.05998	1.3
139.03920	3.0
145.06458	1.3
145.10120	0.7
147.04388	29.4
149.02290	1.6
149.05956	0.6
151.03903	1.7
151.07463	1.0
152.46449	0.7
155.20183	0.6
157.03961	3.0
161.05928	1.5
161.09576	2.1
163.03876	1.9
163.07520	1.1
163.11246	0.6
164.04642	1.4
165.06889	0.7
173.05977	1.0
175.03888	50.0
176.04378	1.3
177.05467	1.9
179.06966	2.7
179.10609	0.7
183.08096	0.6
189.05525	0.9
191.06926	0.7
192.04170	2.0
195.08104	0.6
199.07552	1.6
205.04932	0.9
207.06502	100.0
208.06834	2.2
215.06975	0.9
217.04846	1.2
225.07582	1.7
233.04303	1.3
248.08321	0.6
248.24149	0.6
251.07146	0.7
276.07877	0.9
277.08432	1.1
291.10236	0.7
293.08102	1.0
299.05554	0.8
308.10040	0.8
309.10944	0.8
311.08408	0.7
315.04883	2.2
323.08990	0.8
325.10226	0.7
337.10660	1.6
340.05411	0.7
341.13815	0.8
351.10733	14.6
354.06866	0.6
369.09048	9.6
369.13260	2.4
370.10086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33265	0.3
55.01859	0.4
55.23597	0.4
57.03431	6.3
60.04514	0.3
61.02919	0.5
63.25558	0.4
65.03933	0.9
65.81623	0.4
67.01852	0.5
67.05492	0.5
68.99760	0.5
69.03416	3.0
69.07036	0.4
70.16017	1.8
71.01349	7.0
73.02908	8.6
73.04757	0.4
74.03883	0.4
75.04471	1.4
83.01329	1.0
83.04976	0.7
84.04510	0.4
85.02373	1.0
85.02894	17.6
86.03209	0.5
86.09689	0.5
87.91434	0.4
90.02148	0.4
91.05470	100.0
91.60686	0.4
92.05810	1.2
95.01309	4.8
95.04943	0.5
97.02879	5.9
98.20711	0.4
99.00791	2.4
99.04417	1.8
101.02379	2.2
103.03912	3.3
107.04932	0.4
113.02351	7.2
117.05514	0.7
119.04961	1.1
120.08105	0.6
123.00792	1.1
123.04416	0.7
127.03957	0.5
131.03384	4.3
137.05966	4.8
137.09583	0.4
141.01808	9.9
145.04941	1.0
147.04395	1.0
152.07056	0.5
155.84415	0.4
159.02849	2.2
159.06474	0.9
161.06105	0.4
169.01230	0.6
169.04950	1.3
175.03938	1.4
187.06055	1.2
193.08583	19.0
197.04460	1.0
207.06534	2.4
215.05437	2.4
221.08026	0.4
233.06587	0.9
235.09599	2.9
351.10748	0.7
369.11890	1.5
376.78732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02365	0.6
51.56142	0.5
53.03926	1.6
54.54480	0.6
55.01860	0.8
55.05497	0.6
57.03422	1.3
58.42778	0.6
61.02922	0.7
65.03917	1.5
67.05485	1.5
69.03089	0.7
69.03426	8.3
69.07056	0.6
69.26926	5.3
69.71584	0.5
70.06576	1.0
70.94717	0.4
71.04967	1.0
72.08148	0.7
73.02922	0.7
77.03908	0.8
79.05479	1.5
81.03410	13.1
81.07036	1.1
83.04954	1.2
85.02899	7.5
86.09682	1.6
89.03909	1.2
91.05476	23.7
93.07047	0.8
95.04947	2.1
95.08601	1.1
97.02883	2.6
98.97581	0.5
99.04427	1.8
103.05447	1.4
105.03362	0.8
105.07002	2.2
107.04972	1.3
107.08575	2.0
109.02876	5.0
109.06496	1.6
109.10134	0.8
117.03345	1.1
117.04638	0.5
117.07043	0.5
119.04933	29.0
119.08552	1.1
120.08102	0.6
121.02826	0.7
123.04445	1.2
123.08029	1.3
124.52455	0.5
127.03910	3.1
128.06166	0.6
131.04895	1.1
131.08530	0.8
132.02055	1.4
133.02814	0.6
133.06436	0.7
135.04417	1.3
136.05161	0.5
137.05949	1.0
137.09570	0.6
139.03880	1.5
145.02852	3.5
147.04396	28.6
147.08032	1.0
149.02336	1.3
149.05907	1.4
151.07521	1.8
153.05421	1.1
157.03967	3.3
161.05952	1.3
161.09624	0.9
163.03883	1.8
164.04622	1.1
165.05574	0.7
167.07042	2.1
175.03897	48.7
176.04327	0.8
177.05449	4.1
179.06993	2.5
181.05006	0.5
189.12744	6.8
191.14293	1.0
192.04144	2.0
203.05318	0.7
205.04941	1.4
207.06512	100.0
207.13823	1.8
208.06877	2.5
217.04955	1.9
225.07561	1.6
233.04388	2.0
247.09619	0.7
248.08279	0.5
297.07571	0.6
299.05447	1.7
315.08643	0.7
337.10641	1.3
350.60580	0.6
351.10791	13.5
369.09329	1.1
369.12601	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	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12983	0.5
55.01862	0.6
55.05478	0.8
57.03429	7.2
61.02911	1.3
65.03941	1.1
65.06481	0.5
67.05483	1.1
68.99779	0.6
69.03426	4.0
70.06583	3.1
70.12506	2.0
71.01341	6.6
71.04991	0.9
72.08141	1.5
73.02907	8.5
74.06041	0.6
74.32623	0.5
75.04463	0.9
81.03413	1.9
83.01309	0.6
83.04980	0.8
84.04485	0.6
84.08128	1.5
85.02894	18.4
86.09685	2.2
88.03978	0.7
89.03906	1.1
91.05470	100.0
92.05798	1.6
93.07030	0.7
95.01321	2.3
95.04954	1.7
95.08575	0.7
97.02884	7.3
99.00813	2.4
99.04450	1.6
101.02367	3.1
103.03910	2.4
103.05466	0.6
107.04908	1.0
109.02877	1.1
113.02352	7.7
117.01797	0.5
117.03372	1.5
119.04943	5.2
120.08073	1.1
121.06499	0.9
122.06021	0.5
123.04430	1.6
125.05972	0.5
127.03875	1.5
128.06157	0.5
129.10237	1.1
131.03397	5.0
135.04413	1.7
136.07553	0.5
137.05962	4.7
139.03873	2.2
141.01808	6.9
145.02849	4.0
145.05011	1.0
147.04398	4.4
149.06001	0.8
151.03937	1.4
159.02884	2.2
159.06558	0.6
161.06021	0.8
163.03899	3.6
164.04695	0.6
165.01831	0.6
169.05017	1.2
171.06381	0.5
175.03929	7.5
177.05450	6.2
178.04950	0.9
179.07037	0.5
187.06026	1.2
193.08575	19.2
197.04428	1.4
207.04796	1.0
207.06516	14.5
208.06810	0.6
215.05435	2.7
218.06956	0.5
221.08061	0.8
235.09550	2.6
277.10938	0.7
282.81516	0.7
287.30765	0.6
290.05658	0.6
315.08887	1.0
323.12128	0.6
369.05804	1.2
369.11581	2.0
369.15530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95181	0.7
53.03941	0.8
56.96563	1.1
57.03440	0.7
61.02908	1.0
69.03438	3.4
70.06565	1.5
71.52514	1.2
81.03412	1.4
85.02896	7.0
86.09718	0.8
86.63329	0.6
88.11249	0.8
97.02882	3.3
98.97607	1.4
109.02840	0.9
110.07173	2.1
115.88117	0.8
116.98600	1.0
120.08076	1.1
127.03911	2.0
132.04446	7.7
135.04413	1.8
145.04929	1.1
149.02321	0.8
150.85509	0.7
163.03864	2.2
164.04250	0.7
178.04976	59.0
206.04466	100.0
207.04825	1.7
237.02599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01860	4.4
55.05501	2.1
56.21526	0.9
57.03423	5.9
57.07056	1.5
61.02922	9.5
67.03344	0.9
67.05497	2.3
69.03419	16.3
69.07053	12.7
69.39327	8.4
71.04980	2.7
73.02902	4.1
79.05473	2.7
81.03416	7.3
81.07045	3.7
83.08618	3.7
85.02895	100.0
87.04441	1.7
91.03943	7.4
91.05470	3.5
93.07017	1.1
95.08604	2.2
97.02881	27.3
97.06512	2.1
98.20759	1.6
99.04433	4.6
103.03908	0.9
105.07011	2.2
107.05001	1.1
107.08601	1.4
109.02862	8.9
109.06508	1.0
119.04918	2.1
119.08591	1.8
123.04414	2.3
127.03901	23.7
128.60434	1.0
133.10152	1.0
135.04420	0.9
137.02307	3.0
139.03867	1.2
143.14290	13.3
145.04945	44.9
147.04414	2.5
147.11615	0.9
151.03790	1.1
163.03934	1.9
163.06018	8.0
165.01855	1.3
167.07057	1.2
175.00247	4.1
175.03885	3.1
177.01866	1.4
179.10590	1.0
180.08617	1.3
181.04942	1.1
183.02919	1.6
188.42896	0.9
189.05406	0.9
189.14871	1.2
207.06548	6.0
221.00873	2.7
229.04901	1.4
233.08080	1.0
240.24333	1.1
257.04367	2.0
285.03928	3.3
313.03448	9.4
315.04904	1.7
336.09998	0.9
337.10574	2.0
351.12170	4.2
368.12192	2.0
368.22556	1.1
369.09521	17.5
369.13367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	8.7
69.89703	16.5
69.90128	26.6
70.06582	11.6
76.81911	7.1
85.02892	15.1
86.71497	7.2
97.44440	7.5
98.21494	13.8
98.97543	15.1
100.20179	7.0
116.98679	8.9
127.03931	14.9
132.08408	9.7
154.97147	7.1
163.03862	11.9
177.00745	8.8
208.95332	8.2
219.01688	9.3
369.05786	100.0
369.11453	44.0
369.15472	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	369.0965
Annotation	Aversin
Peak:m/z	Relative Intensity
53.03942	0.6
55.01861	1.0
55.05489	0.7
57.03419	0.4
63.00101	0.4
66.70252	0.4
67.05490	1.6
68.99784	2.0
69.03413	1.8
69.07054	0.9
69.27650	2.4
69.28071	1.7
77.03928	0.6
79.05486	3.4
81.03408	1.3
81.07043	2.1
81.21124	0.4
83.08607	0.5
85.02890	1.2
86.09683	0.4
88.51785	0.4
91.05467	4.4
93.07038	1.5
95.04952	1.5
95.08590	0.9
97.06525	1.9
99.04417	0.5
103.05448	1.4
105.07027	4.4
107.04956	3.4
107.08569	0.8
109.02855	0.9
109.06512	0.6
109.10149	0.7
111.00813	0.4
111.04434	0.6
115.05424	2.0
117.07018	0.9
119.04926	3.7
119.08566	0.9
121.02850	0.8
121.06541	2.0
121.07289	0.4
123.04414	13.5
129.06996	0.7
131.08549	0.5
133.02837	0.7
133.06519	2.2
133.10048	0.5
135.04416	0.8
135.08031	1.2
137.02335	1.0
137.05939	0.4
137.09573	0.4
139.03868	1.0
145.06493	0.7
147.04398	3.8
149.02377	0.7
149.05951	3.0
151.03850	0.6
159.07942	0.4
161.02454	0.7
161.05952	4.8
163.03882	3.4
163.07564	2.2
165.01889	0.6
167.06976	0.5
171.04364	0.6
173.05965	1.3
175.00241	0.8
175.03902	6.5
176.04710	3.0
177.01826	0.4
183.02832	0.6
185.05873	0.4
189.01817	2.8
189.05434	4.2
191.07008	32.5
192.07326	1.5
193.01253	0.6
193.05026	0.4
194.02036	0.5
202.02560	5.5
203.03290	0.5
203.07034	0.8
204.04167	0.5
206.07417	0.5
207.02892	1.0
207.06487	8.3
207.08394	0.5
210.27559	0.4
217.04933	100.0
218.05252	3.6
219.10190	1.8
220.03636	1.6
221.00813	0.6
229.04932	0.5
231.06444	2.7
234.06706	0.7
235.05972	24.4
236.06322	0.5
247.05914	2.2
249.09102	0.4
250.06152	0.5
251.06763	0.5
257.04367	0.7
265.08716	0.5
277.08539	0.8
279.06744	0.5
285.03851	0.8
292.07385	0.5
295.09705	1.8
298.76288	0.4
299.05511	1.0
301.03320	1.4
305.08191	0.6
306.08771	0.4
307.09592	1.0
308.06735	1.6
309.07458	0.8
311.06055	0.6
313.00302	0.4
313.03394	2.2
313.06760	0.4
319.05923	0.5
323.09033	4.5
325.10513	0.6
327.08630	1.3
337.06943	1.1
337.10684	0.9
341.09958	1.9
351.08386	6.9
369.09604	35.8
370.09897	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18962	2.3
53.03944	6.7
55.01853	3.7
55.05510	22.9
57.03433	2.7
57.07073	6.8
59.04996	2.3
65.03934	3.7
65.52605	2.2
67.05492	44.3
69.03412	7.9
69.07059	21.5
69.79009	8.8
69.79414	4.2
71.04977	7.2
73.60874	2.1
78.46016	2.0
79.05482	35.2
81.06585	3.9
81.07047	50.2
83.04958	8.6
83.08602	8.8
85.06519	4.2
91.05464	58.7
93.07030	79.5
94.07323	2.6
95.04955	39.1
95.08598	62.8
97.06516	15.8
98.20804	2.3
103.05460	4.8
105.07018	98.9
106.07310	2.5
107.04928	3.0
107.08582	65.8
109.06509	15.3
109.10144	40.9
111.08041	3.6
115.05406	5.2
116.06206	4.5
117.07013	20.3
119.08570	100.0
121.06483	13.4
121.10130	46.1
123.08073	4.8
123.11705	13.0
128.06212	12.9
129.06963	18.1
130.07785	10.5
131.08548	56.4
133.06497	4.2
133.09132	3.1
133.10114	55.8
135.08035	16.2
135.11679	22.6
137.09642	5.9
139.11176	2.7
141.06953	6.4
142.07747	21.2
143.08562	33.2
144.09357	16.4
145.06464	3.5
145.10101	68.9
146.07240	7.9
146.10503	3.0
147.08041	11.8
147.11659	18.1
149.09578	14.7
151.11209	3.5
153.07019	2.8
155.08549	13.0
156.09344	17.6
157.10106	54.5
158.10838	8.3
159.08072	4.3
159.11676	40.0
161.09596	39.5
161.13187	9.2
163.11221	4.0
163.14749	2.3
165.06998	5.2
166.07785	2.5
167.08508	7.7
169.10133	23.6
170.10918	10.6
171.11684	26.6
172.12440	6.0
173.09604	9.3
173.13246	27.6
174.13863	2.6
175.11208	6.6
175.14798	20.4
177.12813	4.1
179.08524	7.6
180.09225	3.6
181.10101	10.1
182.10782	6.2
183.11674	23.9
184.12347	4.0
185.09619	5.4
185.13245	16.0
186.13908	2.6
187.11124	4.7
187.14780	14.2
189.12683	3.3
189.16296	2.3
191.14397	2.4
193.10161	3.9
194.10921	9.5
195.11658	14.7
196.12460	3.1
197.13231	17.6
198.13988	3.7
199.14818	11.5
201.12648	4.6
201.16386	6.8
207.11652	6.5
209.13252	19.6
210.13956	2.8
211.14830	11.0
213.12729	6.3
213.16365	4.9
217.15739	2.6
221.13159	4.0
223.14806	4.8
225.12823	2.4
225.16397	3.0
227.14302	19.3
237.16382	4.6
239.17928	9.5
247.14737	2.6
249.16328	3.1
251.17932	5.4
253.19492	4.5
255.17365	6.7
257.18896	4.9
265.19522	2.9
267.17410	3.8
269.18973	4.3
271.20462	3.3
275.17731	2.9
283.20651	3.3
293.18784	3.9
331.24280	2.8
349.25201	10.1
367.26233	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01861	6.3
55.05501	21.7
57.07068	10.9
60.31271	4.2
63.93039	4.3
65.03948	4.5
67.05497	54.5
69.03431	8.7
69.07057	33.7
69.42603	7.8
69.42929	40.3
71.04969	10.0
79.05485	40.3
81.07056	67.8
83.04968	5.5
83.08620	12.4
85.06535	8.3
91.05460	55.9
93.07029	86.0
95.04966	39.4
95.08594	69.0
97.06516	14.6
105.07014	98.3
107.08588	75.0
109.06515	20.6
109.10150	39.5
115.05502	5.5
117.07000	28.2
119.08566	100.0
121.06506	14.1
121.10128	53.9
123.08051	6.0
123.11693	15.3
128.06255	12.7
129.06999	16.2
130.07758	10.9
131.08549	68.1
133.10095	60.1
135.08058	19.6
135.11696	18.8
137.09651	6.1
139.95200	4.6
141.07004	11.6
142.07764	19.5
143.08527	43.8
144.09332	8.1
145.10098	66.4
146.07259	6.3
147.08000	9.8
147.11678	20.6
149.09616	25.6
149.13234	5.1
151.11148	6.3
155.08578	13.8
156.09294	14.7
157.10126	53.9
158.10904	10.0
159.08058	6.3
159.11687	42.6
160.58459	4.3
161.09589	43.7
161.13196	7.8
163.11205	6.6
167.08563	5.8
169.10106	24.1
170.10909	12.1
171.11629	29.2
173.09628	10.8
173.13226	29.3
175.11145	7.6
175.14832	19.7
178.14726	4.7
179.08537	13.9
181.10114	11.1
183.11632	22.3
185.13266	16.2
187.14844	13.3
189.12645	6.0
194.10881	7.3
195.11649	11.1
197.13248	23.7
199.14841	18.7
201.12737	5.3
204.07404	4.7
209.13290	24.9
211.14874	8.0
213.12685	6.2
215.14322	7.7
223.14909	4.6
225.16304	7.0
227.14296	15.0
239.17876	5.2
241.19302	7.7
251.17737	5.9
257.19019	6.7
265.19516	7.1
269.19016	5.5
349.25143	8.8
367.26251	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.3
55.01797	4.2
55.02091	1.2
55.05441	21.4
55.05742	2.4
55.05876	1.0
56.54130	0.6
57.03362	6.9
57.07022	1.3
59.04952	1.4
59.35532	0.6
67.05424	19.0
69.03352	2.4
69.06989	22.8
69.25640	1.0
69.26044	6.1
71.04935	1.7
71.08552	26.8
71.08987	2.2
79.05481	15.1
80.05750	0.8
81.03416	3.6
81.03773	0.9
81.07045	16.4
83.04971	3.9
83.08606	6.1
85.06496	1.0
91.05477	7.9
91.75489	0.7
93.07036	11.8
95.04965	5.1
95.08609	7.8
97.06441	2.7
97.10159	7.9
99.04380	0.8
99.08086	25.1
99.08685	1.0
100.08398	0.8
105.07011	6.2
107.04867	2.5
107.08590	9.5
109.06422	2.9
109.10107	5.4
111.07992	1.6
111.11626	1.1
115.05386	0.7
117.06922	2.4
119.08557	3.4
121.06470	3.4
121.10155	4.2
123.07993	2.0
123.11655	1.4
125.09631	6.0
129.06937	0.9
131.08475	2.7
133.10141	4.0
135.07962	2.7
135.11600	3.0
136.52202	0.6
137.09538	1.1
137.74170	0.6
139.11095	2.5
143.08485	1.4
145.10022	2.5
147.11606	1.9
149.09576	1.6
149.13168	2.4
151.07466	0.7
151.11124	1.7
157.10072	0.7
159.11601	2.0
161.09520	1.5
161.13152	1.0
163.11124	1.4
165.12697	1.4
167.10596	3.7
169.10023	0.9
171.10132	1.1
177.12666	2.2
179.10553	1.2
189.11192	4.9
191.14107	1.0
195.13765	1.3
216.54971	0.7
227.12825	1.2
229.19386	0.8
247.20624	1.1
257.19073	1.0
265.21695	0.9
275.17249	1.0
275.20041	8.8
293.21075	100.0
294.21478	5.3
367.12216	1.3
367.24814	26.6
368.25198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	28.3
57.03424	10.1
57.07058	13.9
60.47822	5.5
67.05492	41.9
69.07068	34.0
69.52715	44.8
71.04975	12.0
79.05479	48.7
81.07050	60.4
83.08604	13.3
85.06516	8.3
90.09814	5.3
91.05471	57.2
93.07030	81.1
95.04958	31.2
95.08599	71.4
97.06512	14.4
97.10198	8.6
105.07018	100.0
107.04961	6.5
107.08575	59.2
109.06498	8.7
109.10145	40.7
109.86354	6.0
115.05424	6.5
117.07024	20.6
119.08568	93.4
121.06490	14.6
121.10108	54.8
123.08031	11.6
123.11713	13.1
129.06972	17.0
130.46758	5.7
131.08540	61.6
133.10120	51.8
135.08070	12.3
135.11679	22.4
137.09586	9.8
142.07736	27.4
143.08548	44.1
144.09319	11.6
145.10097	54.7
147.08043	8.7
147.11661	19.6
149.09593	15.5
155.08510	11.9
156.09332	18.1
157.10106	43.8
159.11717	40.0
161.09593	49.3
161.13240	8.4
167.08536	8.5
169.10123	13.1
170.10774	6.7
171.11703	20.4
173.09627	6.6
173.13281	23.1
175.11153	14.2
175.14807	10.6
179.08522	11.1
182.10965	7.6
183.11668	13.4
185.13237	18.7
187.14796	12.2
195.11694	14.5
197.13210	8.1
199.14952	11.0
203.23318	6.1
209.13237	18.6
211.14864	7.7
223.14757	7.9
225.16234	7.6
227.14240	19.3
237.16264	6.2
255.17418	6.2
265.19476	6.2
273.68839	6.8
275.20120	9.2
293.18738	5.8
349.25049	10.5
367.25586	20.4
367.30438	8.9
367.80511	6.8
381.68365	5.6
391.44745	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01869	13.0
55.05505	56.2
57.03428	20.7
57.07063	4.2
67.05497	63.8
69.03428	7.4
69.07060	19.4
71.04971	6.0
71.08623	65.2
71.09009	4.0
71.52211	2.8
73.14590	2.5
79.05486	46.5
81.03414	10.2
81.07049	48.4
83.04951	12.4
83.08614	18.6
85.06559	3.2
91.05458	27.2
93.07034	29.9
95.04967	23.1
95.08608	31.7
97.06519	4.9
97.10162	25.5
99.08085	49.7
99.40381	2.3
105.06996	15.0
107.04948	10.4
107.08586	26.2
109.06503	3.8
109.10136	16.4
111.08082	5.3
116.31782	2.5
117.06985	13.4
119.08553	13.6
121.06483	7.2
121.10157	12.8
123.08081	5.9
123.11671	3.4
125.09610	28.7
129.07011	3.4
131.08557	9.0
133.10130	14.6
135.08025	6.9
135.11653	7.0
137.09552	2.7
139.11127	5.0
145.10123	7.9
147.11681	3.5
149.09538	3.2
149.13220	7.3
151.11209	4.9
157.10104	4.9
159.11658	7.2
161.09592	3.3
163.11142	5.4
165.12694	12.3
167.10605	4.4
171.10156	3.4
171.11707	3.2
173.13289	4.3
177.12846	4.9
189.11200	19.8
191.14241	3.0
195.13779	3.0
205.12215	4.6
242.79172	2.5
247.20566	3.2
257.19168	3.1
265.15506	3.1
275.19983	34.8
293.21057	100.0
294.21463	5.3
299.05612	3.4
367.11487	7.7
367.24725	25.2
368.31387	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
53.44450	1.4
55.01861	7.1
55.05508	22.6
57.03430	19.4
57.07073	2.6
58.52937	1.4
64.77634	1.6
65.03926	2.4
67.05501	52.3
69.03432	7.7
69.07059	18.9
69.87126	7.8
71.04981	4.8
72.26588	1.4
79.05489	42.9
81.03398	4.1
81.07046	100.0
82.07362	2.1
83.04985	9.9
83.08605	12.3
85.06534	3.0
91.05476	37.3
92.05801	1.5
93.07035	36.0
95.04941	11.2
95.08598	33.0
97.06505	8.5
97.10174	2.7
99.08081	3.3
105.04527	1.9
105.07020	39.8
107.04955	9.0
107.08582	23.0
109.06512	15.1
109.10137	17.7
111.08084	6.2
117.07038	9.5
119.08575	31.0
121.06500	5.0
121.10126	17.0
123.08043	7.1
123.11712	8.2
125.09619	3.0
129.07004	2.7
131.08562	14.2
133.10117	26.2
135.08034	6.2
135.11700	9.6
137.09593	7.1
141.07018	1.8
145.10112	11.8
147.11655	19.0
149.09583	8.3
149.13245	8.2
151.11191	5.4
155.08527	2.6
157.10217	3.7
159.11679	8.4
161.13197	3.6
163.11183	7.7
165.12724	6.2
171.11690	2.5
173.13255	5.3
175.11140	2.6
177.12799	3.9
183.11711	2.6
185.11612	1.5
193.12022	2.1
196.50153	1.7
197.13257	2.4
229.19466	3.9
235.16908	2.2
240.13708	2.5
247.20627	5.1
257.18973	6.9
262.63568	1.7
269.17450	5.6
275.20053	40.5
276.20456	1.8
291.06573	1.8
293.21152	6.4
297.07639	1.8
309.07413	8.2
309.20627	1.8
313.07025	1.9
335.09262	2.5
337.07004	4.0
339.12265	1.8
349.23703	10.7
351.08643	3.5
352.09256	3.2
367.11768	44.6
367.24789	24.9
367.29175	1.6
368.12057	8.4
368.24921	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.6
55.01868	26.9
55.05507	42.7
57.03441	21.2
57.07060	8.5
59.04979	3.4
65.03941	5.4
67.05499	95.8
68.05822	3.9
69.03414	4.6
69.07066	25.3
69.49551	21.3
71.04974	9.8
71.08613	11.5
79.05018	3.3
79.05483	60.2
81.03412	14.2
81.06597	6.0
81.07050	100.0
82.07388	3.4
83.04977	22.7
83.08607	18.0
85.06529	8.5
91.05473	69.9
93.07034	55.9
95.04964	25.2
95.08605	46.2
97.02859	3.8
97.06506	14.5
97.10151	7.6
99.04456	3.7
99.08086	7.7
105.07020	66.5
107.04914	16.3
107.08582	48.0
108.08915	2.5
109.06509	11.0
109.10143	44.6
111.08060	5.0
113.06000	5.5
113.09650	3.4
117.07014	11.6
119.08585	30.1
121.06422	7.3
121.10161	18.6
123.08054	26.8
123.11699	13.5
125.09592	13.4
127.07545	3.5
131.08522	19.8
133.06494	2.8
133.10129	80.5
135.08064	6.0
135.11664	17.1
137.09601	16.6
141.06934	3.6
143.08502	4.0
145.10123	17.0
147.11626	7.5
149.09560	10.3
149.13245	3.6
151.11169	42.3
153.12691	4.4
157.10052	4.4
159.11626	8.5
161.09586	7.3
163.11182	16.4
163.14752	4.2
165.09004	5.1
165.12741	5.3
169.12207	6.4
171.11714	4.4
173.13249	8.6
177.12733	7.3
229.19519	3.5
247.20627	7.8
253.14319	5.8
257.19046	3.8
258.23349	3.1
275.20041	31.3
276.20102	2.8
293.21115	9.4
349.23642	5.0
367.11819	4.3
367.24664	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1174
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03939	0.4
55.01859	0.3
55.05502	1.1
56.96561	0.4
57.03436	0.5
58.26842	0.3
65.03938	0.4
66.06819	0.3
67.05498	2.4
68.99778	0.8
69.03417	0.4
69.07038	0.7
70.06599	0.3
70.11068	0.5
70.11450	0.5
79.05488	2.2
81.03409	0.6
81.07053	2.5
83.01327	0.8
83.08582	0.6
87.04472	0.3
91.05457	1.3
93.07020	1.5
95.04945	1.5
95.08598	1.3
97.02883	1.1
97.06510	0.6
97.10154	0.3
101.64377	0.3
105.07033	1.2
107.01318	0.4
107.04941	1.1
107.08578	1.1
109.06529	0.3
109.10135	0.8
110.07144	0.7
111.04460	0.3
114.09144	0.7
115.05505	0.4
117.07061	0.7
119.04932	0.4
119.08609	1.4
121.02846	2.9
121.06514	0.4
121.10155	1.0
123.04405	0.3
123.08049	0.3
125.09638	0.3
128.06229	0.7
129.06964	0.9
131.04848	0.3
131.08537	1.2
133.06483	0.3
133.10144	0.7
135.04387	2.4
135.08057	0.4
137.02306	2.8
141.07005	0.5
143.08560	0.8
145.06454	0.6
145.10074	0.5
147.04369	0.6
149.02319	0.4
149.09653	0.5
150.02675	0.3
151.03894	2.5
151.07469	0.3
152.04285	0.3
155.08554	0.4
157.06483	0.3
158.90308	0.3
159.08037	1.2
159.11681	0.6
161.02348	2.3
163.03882	1.2
165.12827	0.3
169.06453	0.4
173.06007	0.3
177.05299	0.3
179.03389	3.6
181.04953	1.0
183.08167	0.4
187.07559	0.8
190.02557	0.3
191.03392	1.0
193.04909	0.6
194.05333	0.3
197.04391	1.6
203.03387	0.9
204.04169	1.0
205.04913	0.7
205.08524	0.4
215.07019	0.8
218.05751	0.9
221.04335	0.3
233.08118	0.6
237.02870	0.5
259.05988	1.2
275.20026	1.2
284.06595	0.8
285.07526	0.7
286.10504	0.5
297.07556	3.6
300.06174	0.4
301.07086	1.3
306.08917	0.5
309.07516	2.3
311.05490	0.4
311.08984	0.8
313.07007	10.2
314.07269	0.3
321.11240	0.6
323.05521	0.7
323.09146	0.7
324.06268	1.0
325.07031	6.5
325.10721	1.8
326.07510	0.4
327.08633	0.5
334.08444	1.5
335.09097	0.9
337.07013	8.7
338.07770	5.0
339.08490	2.1
339.12354	1.3
349.06769	0.5
349.10699	6.1
349.21768	0.8
350.10876	0.3
351.08618	3.8
352.09387	7.8
353.09573	0.4
367.11740	100.0
367.22656	3.5
368.12079	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15240	6.3
55.01855	21.4
55.05502	69.7
56.53685	6.1
57.03436	7.5
63.27855	5.4
67.05244	5.5
67.05499	60.4
68.87045	7.2
69.03409	10.0
69.07054	19.2
69.90804	28.6
71.04981	8.4
71.08632	7.7
72.96589	8.1
79.05482	100.0
80.24239	6.2
81.07045	61.5
82.74390	7.0
83.04952	30.3
83.08585	27.6
85.06495	7.7
91.05474	40.1
93.07037	64.5
94.64677	6.3
95.04939	22.7
95.08595	38.2
97.10132	24.4
98.21466	6.5
105.07022	68.0
107.04949	28.7
107.08591	65.0
109.06513	10.4
109.10152	40.3
111.07999	8.4
117.06987	17.4
119.08569	39.9
121.10124	39.6
123.11655	11.2
125.09615	32.7
128.06255	6.7
131.08566	17.0
133.10098	34.1
135.08038	15.3
135.11688	7.7
143.08519	10.7
145.10089	23.2
147.11644	13.4
149.09595	72.2
159.11650	18.9
169.12215	12.9
175.14894	8.2
189.11153	30.8
227.12704	19.0
245.13843	14.0
257.18906	17.9
267.10297	7.3
275.20044	92.0
325.48541	7.7
349.23776	32.8
367.11417	15.0
367.15549	8.4
368.11780	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	366.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.01869	8.1
55.05502	4.2
57.03427	6.6
61.02917	7.5
67.05492	2.4
68.99781	3.0
69.03421	41.1
70.06586	1.2
70.77196	1.4
70.77569	3.1
71.04986	5.3
73.02920	7.0
77.57346	1.1
81.03407	24.5
81.07080	1.8
83.01338	1.6
83.05009	1.6
83.08601	1.6
85.02896	100.0
85.18211	1.1
87.00819	43.8
87.04453	1.6
91.03948	2.2
91.64063	1.3
93.07042	2.1
95.08585	1.2
97.02881	30.0
99.04430	13.0
105.01855	62.3
105.07004	2.9
108.04475	2.8
109.02861	24.8
111.08087	1.5
117.01858	2.4
121.06506	1.4
123.04329	1.4
127.03898	66.0
129.01865	3.3
136.06203	1.8
141.09058	2.1
145.04942	31.4
145.06027	2.5
147.02852	1.9
159.02878	13.3
163.43207	1.2
189.03879	2.5
189.86269	1.1
191.10603	1.3
205.12138	1.8
209.11790	2.8
213.04076	1.7
231.04970	17.0
249.06036	4.0
295.11813	3.4
313.12775	1.5
324.99850	1.4
335.09042	1.3
343.01392	2.6
361.02438	4.1
379.03519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41544	0.5
52.89738	0.4
54.45903	0.4
55.01867	0.7
55.05499	0.5
56.05006	0.6
57.03444	0.7
60.04220	1.2
60.04520	20.4
62.02442	0.6
67.05486	0.6
67.58861	0.6
69.03432	2.6
70.02936	1.9
70.06594	1.7
71.01302	0.7
71.04998	1.0
72.04507	0.9
81.03415	1.4
84.08138	1.1
85.02902	0.6
86.09699	70.5
86.61674	0.6
87.05581	16.8
87.10030	1.1
88.03993	0.7
91.05475	1.2
91.60931	0.5
93.07057	0.6
97.02850	0.7
99.04440	1.1
103.05455	1.3
105.07039	1.0
107.04950	0.9
108.43827	0.5
112.11247	0.6
117.05483	0.7
118.06537	0.9
119.04914	0.7
119.08652	0.6
120.08096	37.2
121.08424	0.9
123.04475	0.6
126.09119	0.6
127.11135	0.6
128.10710	8.6
131.04866	0.9
132.10156	0.9
136.06169	0.6
136.07524	0.8
143.11713	0.5
144.08049	1.1
145.07562	1.6
147.09137	1.4
149.05873	0.6
155.74831	0.6
159.09213	2.2
162.09108	1.6
165.81975	0.6
166.08632	12.9
167.07043	2.1
168.43636	0.4
173.12846	100.0
173.23155	0.5
174.13170	1.7
185.10715	1.4
187.08597	0.7
190.09732	9.3
191.06445	0.9
191.08163	16.6
197.10663	0.8
199.08717	0.6
201.12323	25.6
203.08344	0.6
207.11269	6.6
219.13376	1.1
225.10280	0.7
229.30724	0.6
235.10753	2.1
243.11179	0.7
271.10745	0.8
279.16904	2.1
289.11710	2.2
306.14432	7.0
307.12744	0.8
324.06290	0.6
324.15549	2.5
332.31738	0.5
367.11841	1.0
367.16074	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	367.1171
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
52.73553	0.2
67.05479	1.0
71.41810	0.2
71.42137	0.4
79.05492	0.7
81.07037	0.6
83.01324	0.8
91.05480	0.6
107.04953	0.3
119.08598	0.6
128.06204	0.5
131.08583	0.5
135.04396	1.2
137.01396	0.3
137.02347	2.9
137.03340	0.4
141.01747	0.3
141.39073	0.3
143.08492	0.3
151.03917	0.3
159.08044	1.0
161.02341	2.1
163.03888	0.7
175.03859	0.3
179.03375	3.6
181.04977	1.2
187.07568	0.6
191.03378	1.0
193.04985	0.4
197.04424	1.4
200.04697	0.4
203.03413	0.5
204.04179	0.8
205.04915	0.6
205.08488	0.2
215.07033	1.0
218.05762	1.1
233.08069	0.7
259.06064	0.4
267.06625	0.3
283.06195	0.4
284.06711	0.6
285.07520	0.9
297.07614	3.3
300.06308	0.5
301.06927	1.3
309.07574	2.4
310.08163	0.4
311.09158	0.8
313.07028	10.3
314.07394	0.4
323.05731	0.5
323.08957	0.8
324.06281	1.2
325.07013	6.6
325.10718	1.8
326.07608	0.4
327.08673	0.3
334.08289	1.7
335.08911	0.3
337.07007	9.2
338.07770	5.2
339.08542	1.8
339.12283	1.2
349.07596	0.2
349.10663	5.5
351.08572	4.3
352.09372	7.0
353.09528	0.3
367.11731	100.0
368.12051	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	365.2681
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.70456	0.2
55.05492	0.7
57.03434	0.4
57.06837	0.3
57.07072	3.4
60.04524	0.2
67.05494	1.5
69.03387	0.3
69.07072	1.2
70.42788	0.4
70.43138	0.8
71.03294	0.2
79.05480	1.1
81.07053	2.1
83.05007	0.3
83.08591	0.8
85.06548	1.4
91.05477	1.3
91.53337	0.2
93.07033	1.4
95.04952	0.5
95.08607	1.6
97.06523	0.4
105.07037	1.3
106.05018	0.7
107.08585	1.5
109.06525	1.8
109.10123	0.7
117.07001	0.3
119.08566	1.1
121.06467	0.3
121.10159	0.5
123.08047	4.1
123.11687	0.4
124.08854	1.6
125.05921	0.3
129.07018	0.4
131.08539	0.5
133.10126	0.8
135.08035	0.9
135.11707	0.3
137.05969	0.4
137.09615	0.5
139.07562	0.4
143.08545	0.5
145.10094	0.7
147.08089	0.4
147.11635	0.7
149.09634	0.5
151.07523	4.3
151.11226	0.3
152.08313	7.7
155.08627	0.3
157.10143	0.5
159.11641	0.9
161.09610	0.3
161.13232	0.4
165.09096	10.0
165.12738	0.3
166.09799	0.5
169.10213	0.3
171.11771	0.4
175.11147	0.4
177.09106	0.5
177.12663	0.4
179.10687	2.4
181.12245	0.5
185.13272	0.6
193.10138	0.3
194.12979	4.2
195.11871	0.2
195.13779	0.6
199.14851	0.2
207.11844	0.4
207.13695	2.0
209.13234	0.3
221.15346	0.4
235.16924	0.6
249.18494	0.9
263.20038	3.1
273.18701	0.3
277.21628	0.5
291.19626	0.6
309.21021	0.2
319.26462	1.1
337.27594	0.3
347.25800	18.1
348.26236	1.2
365.26840	100.0
366.27216	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05505	2.2
57.03420	0.8
57.07067	2.2
57.15908	0.4
57.98718	0.4
67.05502	2.4
69.07072	2.7
69.25827	3.9
71.08606	1.0
79.05473	2.1
81.07061	2.7
83.04975	0.9
83.08605	0.9
85.06516	1.7
89.25015	0.4
91.05470	1.4
93.07025	2.5
95.04958	1.0
95.08598	2.9
97.06537	1.0
105.07005	1.9
107.08589	3.1
109.06503	2.5
109.10133	1.2
110.58877	0.4
111.04420	1.0
111.08077	0.8
119.08554	1.7
120.33846	0.4
121.06519	0.5
121.10106	1.4
123.08057	6.4
123.11747	0.6
125.05956	0.9
131.08514	0.6
133.10078	1.1
135.08060	2.1
135.11632	1.3
137.06026	0.7
137.09593	0.7
137.13234	0.6
139.07527	0.7
145.10121	0.8
147.11652	1.4
151.07524	4.2
152.08325	3.3
157.10117	0.9
161.09596	0.9
165.09097	14.2
165.12717	1.1
166.09691	0.6
173.13275	0.5
175.11180	0.8
177.09145	0.7
177.12775	0.5
179.10678	2.2
179.14249	0.8
182.89148	0.5
193.12207	1.1
195.13788	0.8
203.04996	0.5
208.12744	0.4
208.14600	1.8
221.15321	1.5
221.18967	0.4
235.16954	1.0
249.18469	1.0
260.73859	0.4
263.20090	1.6
291.19620	0.5
305.24649	4.8
319.26282	4.8
337.27826	0.5
347.25769	47.4
348.26151	2.5
359.75937	0.5
365.26834	100.0
366.27216	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	3.5
52.11229	3.5
53.03936	11.4
55.01876	16.5
55.05503	32.7
57.03428	22.9
57.07062	13.1
59.04718	5.2
59.04997	81.6
65.03929	5.6
67.05498	84.6
69.03416	12.4
69.07060	25.6
71.04979	6.9
71.52543	3.8
79.05490	63.3
81.03392	13.9
81.06593	6.6
81.07053	100.0
83.01344	3.4
83.04967	28.8
83.08620	16.8
85.06509	12.1
91.05475	91.7
93.07037	67.3
95.04955	22.7
95.08607	47.6
97.06496	7.6
97.10166	3.7
99.04381	5.2
103.05476	3.4
105.07021	65.7
107.04961	26.2
107.08583	56.5
109.06503	14.9
109.09489	3.7
109.10154	45.3
111.08057	12.0
115.11198	7.4
117.06984	17.5
119.08572	25.0
121.06483	16.1
121.10095	22.8
123.08044	13.6
123.11682	9.1
129.06985	11.3
131.08551	27.0
131.92032	3.9
133.06476	16.1
133.10129	78.5
135.08072	25.0
135.11674	12.4
137.09581	7.2
139.07556	4.8
143.08531	13.7
145.10120	17.2
147.11638	8.5
149.09634	23.0
149.13228	4.4
151.11185	40.2
157.10056	6.3
159.08063	8.4
159.11696	7.3
161.09637	17.3
161.13245	7.4
163.11160	5.0
165.09026	4.3
169.12163	7.3
171.11630	10.3
173.15402	6.2
175.11140	8.9
177.09111	11.8
181.10208	4.8
185.13203	5.3
189.12724	8.6
215.12624	4.1
227.17923	3.7
245.18974	9.9
253.14270	28.5
263.19983	14.4
273.18457	39.4
291.19513	34.5
365.10236	3.7
365.23135	47.5
365.27341	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01860	1.1
55.05503	2.2
57.07069	13.0
59.97676	1.0
65.03908	0.8
67.05490	3.4
69.07066	4.4
69.95059	2.8
69.95496	3.3
72.83541	0.9
78.57305	0.9
79.05472	2.2
81.07040	5.0
85.06527	8.3
87.34422	1.0
91.05476	3.7
92.60342	0.9
93.07030	2.5
95.08601	3.5
97.06519	1.4
105.07027	2.2
105.99816	0.9
107.08514	2.0
109.06503	14.8
109.10143	2.2
111.04436	1.7
119.08526	1.9
121.10143	1.5
123.08041	5.6
125.06135	1.0
135.08046	1.3
135.11610	1.3
137.05930	2.0
143.08582	1.0
145.10173	1.4
151.07530	8.6
152.08304	1.6
157.10121	1.6
165.09093	9.2
177.09204	1.1
179.10744	1.2
185.13141	1.0
193.12280	1.5
194.33823	1.0
221.15343	2.4
235.20613	1.1
249.18512	1.1
263.20032	100.0
264.20419	4.3
279.83594	0.9
305.24680	3.6
308.41376	1.0
312.16675	0.9
319.26227	3.1
347.25772	29.4
348.26108	1.4
365.10428	1.9
365.26865	57.3
366.27197	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12701	2.3
53.03939	8.5
55.01863	15.9
55.05506	37.3
56.63078	2.3
56.96553	2.6
57.03427	17.9
57.07057	3.5
65.03923	4.3
67.05497	69.2
69.03428	12.2
69.07060	50.5
70.01865	6.7
70.02261	4.5
70.57879	2.8
71.04994	3.3
79.05489	57.9
81.03406	11.0
81.07043	62.2
83.04971	15.9
83.08590	12.8
85.06543	4.9
91.05469	45.1
93.07030	46.4
95.04959	19.6
95.08600	26.3
97.02883	14.7
97.06517	9.8
97.10153	12.6
105.07017	39.7
107.04939	16.3
107.08585	37.0
109.06470	15.3
109.10149	25.0
111.08075	4.3
117.06971	15.8
117.30547	3.2
119.04980	5.3
119.08562	22.1
121.06481	9.8
121.10144	17.6
123.08067	7.0
123.11671	5.2
125.09640	11.8
129.07008	8.1
131.08533	15.0
133.06493	10.2
133.10100	41.9
135.08046	18.2
135.11697	8.5
137.09578	3.4
141.65721	3.0
143.08560	7.8
145.10104	10.0
147.08029	6.7
147.11681	8.2
149.09607	14.0
149.13297	3.1
151.11177	22.2
153.09113	3.0
155.96649	2.7
157.10098	5.7
159.08026	3.1
159.11681	6.2
161.09619	10.3
161.13316	4.0
163.11102	5.2
165.09149	4.3
169.09959	2.7
169.12196	3.9
171.11633	6.4
175.11151	4.7
177.09116	6.3
177.12749	3.8
183.11676	2.7
189.11234	5.1
189.12790	2.7
205.12154	3.0
223.13226	25.1
245.18954	4.3
251.12909	3.8
253.14328	6.0
263.20181	3.3
269.13751	4.2
273.18433	33.5
291.19513	100.0
292.19846	3.4
304.55066	2.4
347.22272	3.4
347.25983	4.2
356.42371	2.5
365.10321	9.2
365.23102	65.5
365.26950	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.8
54.01846	2.8
55.01857	13.2
55.05507	52.0
56.96550	5.7
57.03435	36.5
57.07063	4.4
61.02930	3.2
63.17181	3.1
65.03941	6.1
67.05499	66.2
69.03417	9.3
69.07059	26.5
71.04978	5.9
71.53072	4.0
73.38906	2.7
79.05483	82.2
81.03402	11.0
81.07047	83.2
83.04986	10.8
83.08616	18.0
84.98709	2.6
85.02860	6.1
85.06538	4.6
91.05472	100.0
93.07034	77.7
95.04953	21.7
95.08601	42.2
97.02882	6.2
97.06515	13.8
97.10166	13.8
103.05469	4.1
105.04573	3.8
105.07019	84.1
107.04948	25.5
107.08585	38.8
109.02879	8.7
109.06503	30.8
109.10144	15.3
111.08100	7.3
115.05431	10.5
116.06274	3.7
117.07008	41.4
119.04907	7.8
119.08574	58.8
120.09047	3.7
121.06497	16.3
121.10133	22.1
123.08064	12.7
125.09601	9.5
127.03957	4.1
127.07585	3.3
128.06229	12.5
129.07004	26.2
130.07756	10.9
131.08548	80.4
133.06473	13.5
133.10098	27.5
135.04460	8.0
135.08023	22.9
135.11702	7.6
137.09615	8.9
139.11163	5.1
141.06984	8.6
142.07756	6.6
143.08554	75.6
145.06494	6.0
145.10112	77.5
147.04346	6.8
147.08022	23.4
147.11687	10.5
149.09621	11.6
149.13257	6.0
151.11198	3.3
154.19977	3.4
155.08591	9.5
157.10109	30.5
158.10576	3.2
158.20580	3.0
159.08083	11.1
159.11665	27.1
161.09579	25.8
161.13245	4.9
163.11154	8.0
166.07751	3.9
167.73959	3.6
167.75272	3.5
168.62103	2.9
169.10130	12.8
171.11697	25.7
173.09627	4.7
173.13243	3.2
175.11177	13.5
177.01854	8.4
177.12735	9.9
181.10158	8.5
183.02934	4.2
183.11694	9.4
185.13210	9.1
187.11101	5.0
189.11182	4.9
189.12720	5.9
195.02876	24.5
195.11751	18.0
199.14769	3.4
211.14941	4.1
213.16441	4.1
217.15857	6.5
227.17886	5.7
231.02921	11.0
233.08055	26.6
237.16359	17.6
241.48106	3.2
245.19029	12.1
249.03976	6.7
251.09084	8.6
255.17358	20.1
267.08990	6.7
269.12366	4.9
273.03922	8.3
273.18478	72.4
273.21164	2.7
285.10022	5.6
287.08990	18.7
291.19589	18.6
317.10117	13.3
329.09967	8.0
347.11124	12.9
347.22128	33.5
365.12393	10.6
365.23318	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
54.29353	1.5
55.01865	13.7
55.05505	25.0
56.96548	5.2
57.03431	76.2
57.07060	4.8
60.92284	1.6
61.02915	3.5
62.17717	1.3
63.83102	1.3
63.83442	1.3
64.10350	1.5
65.03935	4.7
66.84589	1.3
66.95329	1.4
67.05498	75.0
69.03422	11.4
69.04566	2.3
69.07063	40.5
71.04973	8.1
73.02899	2.0
79.05013	1.9
79.05486	49.3
81.03403	6.0
81.07050	62.2
83.04970	13.8
83.08622	10.0
85.02867	2.6
85.06534	38.7
91.05477	39.2
93.07034	43.6
95.01310	1.8
95.04960	58.9
95.08603	31.0
97.02885	7.1
97.06522	10.2
97.10147	7.8
99.04488	1.5
99.08076	2.8
103.05455	2.7
105.07024	37.3
107.04945	15.9
107.08595	27.0
107.56474	1.5
109.02885	2.2
109.06509	51.7
109.10133	10.6
111.04471	2.9
111.08054	6.0
113.05994	87.2
114.06318	2.0
115.05456	2.2
117.07011	16.9
118.48866	1.4
119.04903	2.4
119.08569	25.8
121.06503	6.2
121.10150	12.4
123.08075	9.9
123.11728	2.4
125.09641	7.8
127.07552	27.3
128.06192	3.7
129.06970	11.2
131.04918	1.7
131.08562	17.5
133.06494	6.5
133.10118	13.2
135.08038	36.5
135.09018	2.9
135.11665	6.9
137.05983	2.5
137.09680	3.1
143.08551	7.8
145.06474	1.8
145.10115	10.8
146.03561	2.1
147.08031	8.5
147.11684	14.5
149.09639	7.0
149.13246	5.0
151.11240	1.8
153.09131	3.7
154.80806	1.7
155.08546	2.9
156.89012	1.6
157.10156	8.3
159.07953	2.4
159.11691	6.9
161.09641	10.0
161.13205	2.6
163.11166	4.7
165.09106	3.2
165.12770	4.3
171.10248	2.1
171.11646	5.6
173.13249	5.2
175.11171	5.4
177.12717	3.2
183.11668	2.7
185.13318	2.3
187.11072	3.0
187.14897	1.7
189.11208	4.7
189.12732	3.7
189.16396	1.8
191.14137	1.9
193.12210	2.9
195.13794	3.0
199.14793	3.7
205.08495	1.6
210.68152	1.7
216.04184	4.1
217.15840	13.1
219.13829	1.7
223.13228	9.2
229.16205	1.9
231.06444	10.9
234.05025	1.8
235.16887	3.1
236.20107	3.2
237.16435	2.1
243.08830	2.0
245.18907	4.8
249.07582	2.6
249.14803	2.1
255.17439	2.8
263.20114	3.3
267.08908	2.6
269.10504	2.6
273.10315	2.5
273.18445	36.0
285.10062	6.1
287.11752	2.2
291.19522	100.0
292.19897	3.7
307.06116	1.4
322.08337	2.3
347.22183	2.1
350.07809	16.0
351.08072	2.3
365.10178	60.8
365.23230	46.9
365.27618	2.1
366.10480	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01864	7.6
55.05505	7.9
56.02065	1.1
56.96556	1.3
57.03431	49.2
57.07064	2.1
61.02916	2.7
65.03922	3.8
67.05501	46.0
69.03413	4.6
69.07062	6.4
69.65632	1.2
71.04978	6.1
71.52817	1.9
71.53212	1.5
72.93771	1.2
73.02917	1.4
79.05486	25.8
81.03409	5.7
81.07047	22.1
83.04951	3.2
83.08604	4.3
84.08123	1.5
85.01115	2.0
85.02888	2.6
85.06536	38.7
86.09690	1.5
91.03947	1.5
91.05475	20.8
93.07037	21.2
95.04958	55.1
95.08589	13.5
97.02888	1.7
97.06520	4.9
97.10142	1.4
99.04467	1.4
101.47833	1.2
103.05465	2.2
105.07016	17.2
107.04956	9.8
107.08582	13.1
107.40416	1.0
109.06511	50.9
109.10121	3.7
109.61088	1.1
111.08061	2.6
113.05996	100.0
115.05473	1.1
117.07008	10.1
119.08571	10.4
121.06499	6.2
121.10136	5.9
123.04415	1.5
123.08047	3.3
123.11640	1.4
128.06200	2.0
128.96114	1.3
129.06998	6.3
129.29660	1.0
131.08556	15.5
133.06499	2.3
133.10133	8.4
135.08041	35.2
135.11676	7.2
136.07518	1.3
137.05962	1.8
137.09630	2.3
141.06949	2.0
142.17384	1.1
143.08542	7.0
145.06558	1.4
145.10115	9.8
147.08080	5.7
147.11674	3.7
149.09630	6.1
149.13237	2.4
151.11078	1.6
155.08524	1.8
156.08401	2.1
157.10129	5.4
159.08025	3.4
159.11658	4.6
161.09587	7.3
161.13226	1.4
163.07446	1.5
163.11142	2.4
165.05467	1.1
171.11664	3.3
173.09563	2.0
173.13290	2.4
175.11177	3.3
177.12709	2.5
181.10152	1.8
183.11636	1.3
185.09633	1.8
185.13329	3.0
187.11263	1.3
190.04626	1.1
190.08455	1.5
193.12119	2.8
195.11842	1.4
196.16994	2.4
199.14752	3.0
201.12807	3.2
210.18396	1.5
211.13266	3.9
217.15884	13.7
219.13846	1.7
227.17946	1.8
233.15343	1.6
237.16383	1.4
245.05162	1.2
245.18932	3.3
252.19594	4.6
255.17352	3.6
273.18445	27.7
283.06259	6.7
285.10220	1.5
285.16833	1.9
291.19507	28.7
301.07419	2.2
347.22058	2.9
365.10281	3.6
365.15216	2.7
365.23203	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01859	9.2
55.05505	38.8
57.03433	12.5
57.07064	1.8
59.05017	1.4
64.06341	1.3
65.03936	1.4
67.05494	35.5
69.03419	14.4
69.07061	41.9
69.87813	5.9
71.05001	2.9
79.05489	26.8
81.03405	10.4
81.07050	25.5
83.04973	23.3
83.08607	11.0
85.06528	2.3
91.05471	21.2
93.07034	20.3
95.04948	11.7
95.08592	14.2
97.02875	16.9
97.06524	5.1
97.10155	20.1
98.21532	1.5
105.07008	14.0
107.04928	9.8
107.08576	20.0
109.06500	3.7
109.10142	11.6
111.08082	3.0
117.06999	5.3
119.08561	11.9
121.06499	4.2
121.10130	5.6
123.08066	4.1
125.09613	15.3
129.07033	3.0
131.08517	8.2
133.06479	2.8
133.09282	1.6
133.10097	8.6
135.08049	7.9
135.11700	4.9
137.05913	1.8
137.09578	4.1
141.06952	1.6
143.08527	4.0
145.10109	6.6
147.08057	4.2
147.11676	3.2
149.09628	1.8
149.13255	2.6
151.11180	2.0
153.09059	1.7
157.10120	3.3
159.11629	3.3
161.09596	4.5
163.11122	2.0
165.09088	2.3
169.11899	1.4
171.11694	3.4
173.11682	1.8
175.11183	2.6
177.12750	2.7
179.10683	1.5
189.11151	8.9
189.12627	1.4
195.13820	2.0
205.12263	3.7
223.13229	36.3
263.20132	1.9
273.18478	16.3
291.19489	100.0
292.19864	3.7
347.22058	2.1
365.10324	3.0
365.23184	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
55.01864	9.7
55.05510	32.9
56.81311	1.2
56.96548	3.7
57.03160	1.5
57.03431	22.2
57.07054	2.4
59.49047	1.4
61.02918	2.8
67.05499	49.5
69.03428	25.2
69.07063	43.7
70.50742	4.2
71.04989	4.3
73.66888	1.4
79.05487	45.7
81.03413	10.0
81.07048	48.3
82.07348	1.6
83.04976	13.9
83.08611	16.6
85.02863	3.6
85.06538	2.5
91.05470	29.8
93.07034	36.4
95.04955	15.0
95.08594	21.2
97.02890	18.7
97.06518	14.0
97.10160	20.3
103.05469	1.7
105.07018	24.9
107.04948	20.5
107.08578	26.1
109.02869	1.7
109.06509	15.1
109.10150	13.5
111.04469	3.3
111.08076	4.3
113.06017	1.9
115.05444	3.2
116.06202	1.3
117.07006	11.2
119.04922	1.8
119.07795	2.4
119.08575	24.0
121.06493	7.8
121.10145	12.6
123.04356	2.1
123.08041	8.8
123.11727	3.5
125.05951	5.7
125.09605	13.6
127.07527	1.4
127.74126	1.3
127.86588	1.2
129.06993	6.4
130.07764	2.3
131.08560	16.6
133.06496	4.6
133.10121	13.8
135.08014	11.6
135.11661	4.5
137.09596	6.2
143.08554	5.6
145.06506	1.8
145.10136	15.1
147.08020	9.9
147.11679	7.8
149.09605	5.8
149.13307	2.6
151.07539	1.8
151.11142	3.5
153.09097	4.0
157.10117	5.8
159.08057	1.6
159.11661	5.2
161.09613	8.9
161.13326	2.1
163.11179	5.2
165.09090	2.7
171.11682	5.2
173.09634	1.5
175.11200	5.8
177.09036	2.3
177.12723	2.6
179.10721	1.6
181.10074	2.3
183.11703	1.8
185.13220	1.9
189.11215	10.4
189.12694	3.1
193.12202	6.3
195.11891	1.6
195.13745	2.5
205.12228	3.4
223.13283	26.4
227.12839	2.9
227.17934	3.1
245.19058	3.7
249.14920	2.6
255.17401	5.2
263.20010	3.6
269.10526	1.8
273.18448	33.1
285.10049	2.3
291.19519	100.0
292.19891	4.3
347.22134	4.5
365.10278	5.0
365.23215	51.1
365.28027	2.4
366.23410	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01871	8.9
55.05503	35.4
56.96531	1.5
57.03159	0.9
57.03431	12.9
59.05005	1.2
62.87257	0.9
65.03925	1.5
67.05131	1.9
67.05495	41.0
69.03423	15.9
69.07058	47.9
70.78775	0.7
71.04965	3.0
73.02908	0.8
79.05482	31.8
81.03420	8.2
81.07043	28.7
83.04975	5.7
83.08608	12.5
85.02893	1.8
85.06516	1.7
91.05464	18.4
93.07032	22.7
93.08230	0.9
95.01299	1.3
95.04959	10.5
95.08594	14.3
97.02879	20.7
97.06501	4.6
97.10155	18.7
98.03192	0.9
98.20792	2.0
99.08070	1.3
101.34033	0.7
105.07005	13.0
107.04932	10.2
107.08573	17.7
109.02861	2.1
109.06519	4.0
109.10142	11.5
111.04407	1.2
111.08051	2.8
115.05404	1.2
117.07020	8.5
119.04877	1.9
119.07728	1.0
119.08565	13.8
121.06493	4.0
121.10146	5.5
123.08064	5.1
123.11677	1.5
125.09609	15.6
128.06183	1.2
129.05473	1.0
129.07011	4.0
130.07779	1.3
131.08560	7.9
133.06467	3.0
133.10104	7.2
135.08037	6.1
135.11665	3.9
137.09615	4.1
143.08533	3.0
145.10115	5.6
147.08028	7.7
147.11647	3.8
149.09592	2.6
149.13248	2.7
151.11111	1.8
153.09111	1.4
155.08533	1.0
157.10098	3.7
159.08176	1.1
159.11649	3.5
161.09602	3.1
163.11188	2.3
165.09116	1.8
171.10197	1.5
171.11732	3.0
173.09621	1.2
173.11783	1.1
175.11270	1.9
177.12727	1.7
179.10713	1.7
185.13181	1.1
189.11192	8.1
189.12729	1.2
193.12175	1.4
195.13832	2.9
205.12276	2.8
223.13246	34.4
227.12721	1.7
227.17928	2.0
245.18980	2.4
249.14877	2.0
255.17581	1.7
263.20120	2.2
267.09036	2.0
273.18500	17.5
274.18698	1.0
284.12671	1.0
285.10165	7.4
291.19498	100.0
292.19864	2.6
301.13412	1.2
303.11517	0.9
365.10297	1.9
365.23175	40.7
366.23468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1592
Annotation	zeaenol
Peak:m/z	Relative Intensity
51.37780	2.2
53.03934	5.9
55.01865	14.1
55.05502	12.9
57.03411	5.5
57.07054	2.5
61.02918	4.9
65.03935	3.3
67.05503	16.1
68.17564	2.1
68.99769	10.5
69.03421	55.2
69.07050	5.9
70.06589	2.8
71.04984	9.3
71.37151	4.5
73.02876	2.7
73.97758	2.2
75.34474	2.4
78.82301	2.3
79.05486	23.8
81.03410	34.7
81.07050	36.8
83.04961	12.4
85.02899	25.5
86.09697	4.3
87.00815	16.1
91.05474	42.2
93.07032	100.0
95.04958	24.1
95.08586	22.6
97.02895	18.3
97.06512	6.3
99.04433	6.6
103.05421	4.8
105.01856	3.0
105.07020	84.7
107.04931	11.0
107.08582	97.1
107.09309	5.7
109.02853	8.0
109.06495	11.7
109.10152	7.6
111.04440	9.1
115.05452	5.7
117.06983	18.4
119.04883	4.5
119.08572	51.7
120.08079	3.0
121.06506	17.7
121.10149	17.1
123.04409	11.2
123.08051	16.3
125.05980	4.3
127.03893	7.2
128.06212	8.4
129.01810	6.0
129.06996	14.7
129.47852	2.4
130.07784	3.9
131.08556	27.7
133.06479	12.5
133.10123	36.7
135.04442	5.1
135.08003	12.6
135.11678	61.1
135.12721	3.3
136.06197	2.9
137.05956	5.2
137.09650	2.9
141.07019	4.5
142.07767	9.4
143.08540	12.6
144.09331	4.3
145.06467	8.9
145.10101	45.0
147.08041	15.1
147.11673	37.3
149.06003	7.2
149.09604	11.1
149.13295	5.1
151.07571	4.1
151.11166	5.4
154.07742	3.9
155.08548	12.9
156.09294	3.2
157.10103	18.7
158.10895	3.1
159.02916	4.2
159.08046	16.7
159.11694	20.0
161.05991	3.8
161.09583	15.6
161.13257	6.7
163.03860	3.4
163.07527	7.1
163.11168	44.1
165.12753	9.4
167.06976	2.6
167.08554	4.3
169.10153	8.8
171.08015	4.9
171.11690	10.2
173.09612	14.5
173.13200	7.5
175.07593	5.2
175.11189	33.1
177.12759	7.3
179.10567	3.1
181.10201	3.4
183.08057	6.7
183.11725	6.3
184.08763	2.8
185.09624	9.8
187.07469	6.0
187.11127	14.3
187.14717	5.0
189.12737	23.3
193.12227	16.3
197.09633	2.7
197.13232	12.5
199.11177	6.8
201.09134	9.5
201.12733	11.1
203.10692	6.5
205.12184	5.9
207.13808	3.7
213.12756	3.1
215.10904	3.2
215.14278	21.1
217.12221	6.1
219.13774	8.8
225.12746	17.3
231.13910	4.2
233.15295	12.0
243.13777	58.6
255.06453	11.3
261.14816	89.2
279.15906	2.8
306.21115	2.6
321.17084	4.5
329.13889	4.8
347.14883	49.4
365.10480	10.6
365.15958	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	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99347	0.3
70.03738	1.6
70.54169	0.3
119.01842	0.5
142.93050	0.3
173.02954	0.5
185.04207	24.7
203.05241	48.2
245.05043	1.2
247.81897	0.4
306.37888	0.4
365.10519	100.0
366.10873	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	365.1228
Annotation	Inumakilactone A
Peak:m/z	Relative Intensity
53.03894	1.2
55.01807	2.8
55.05449	1.1
57.03364	2.2
57.07022	1.2
58.75122	0.6
63.25767	0.7
65.03899	0.7
67.05419	2.7
68.99747	0.6
69.03366	1.0
69.07009	1.0
70.30902	2.6
71.01278	1.1
77.03857	1.2
79.05486	5.3
81.03410	4.1
81.06980	2.3
83.04892	0.7
83.08553	0.9
85.02893	3.5
87.60251	0.6
91.05473	3.8
93.03314	2.1
93.06966	1.9
95.04968	3.3
95.08549	1.1
97.02905	5.0
103.03888	0.6
103.05448	1.3
105.03333	1.0
105.04417	1.0
105.06944	1.9
107.04942	51.5
107.08562	1.3
108.05214	1.1
109.02863	10.1
109.06458	0.9
114.29565	0.6
119.04958	3.9
119.08540	1.0
121.02857	4.2
121.06496	4.5
123.04346	1.6
127.03854	0.9
131.04922	4.2
131.08511	1.1
133.02747	0.9
133.10081	0.9
135.04396	47.5
135.07950	1.1
136.04681	1.0
139.03813	0.9
147.04385	10.4
149.02333	4.0
149.05894	2.9
151.03818	1.0
157.10025	0.7
159.04366	2.6
161.02303	2.3
161.06018	0.8
161.09535	0.8
163.03795	2.2
165.01848	5.6
175.03889	3.5
177.01810	14.9
177.05450	5.9
181.04901	1.7
183.02907	3.9
189.01752	2.0
189.11102	0.7
191.03302	2.3
191.11374	0.7
193.04933	5.5
195.02870	31.6
196.03130	1.1
200.20033	1.6
201.01848	0.9
203.03391	21.6
204.03616	0.7
207.02858	4.6
209.04442	0.9
210.32607	0.7
215.03358	4.1
217.04906	2.7
219.02788	2.3
221.02469	1.1
221.04431	13.1
221.08029	2.3
223.02338	1.7
223.06097	0.7
225.03816	2.3
227.03381	2.8
231.02858	68.2
232.03304	3.3
233.04317	1.7
233.08052	40.1
234.08395	1.8
235.05946	0.9
237.03928	0.9
243.02844	6.9
245.04437	3.7
249.03909	35.9
250.04213	1.6
251.09129	12.1
252.09488	0.7
255.02829	2.9
261.03909	5.5
263.09143	2.0
273.03915	12.0
273.18457	2.0
287.09109	100.0
288.09290	3.5
291.04941	8.9
299.09113	2.1
309.05981	4.3
317.10175	29.9
317.13922	1.5
318.10483	1.0
329.10153	12.4
337.07275	0.7
347.11227	20.5
365.12335	31.1
366.12729	1.5
366.22791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.8
57.03430	4.6
57.07066	5.9
67.05482	12.2
69.07044	7.8
69.18388	2.4
71.04982	3.0
71.08618	4.1
79.05474	8.5
79.58559	2.7
81.07056	18.1
83.08575	4.0
85.06537	5.1
91.05466	5.9
93.07008	8.4
95.08588	11.8
97.10140	4.8
105.07012	7.4
107.08552	6.2
109.06493	20.2
109.10136	6.7
111.08015	2.9
117.07009	3.1
119.08555	10.3
121.10155	4.0
123.08059	47.9
125.09570	3.5
129.07004	3.7
133.10089	4.7
135.08047	6.0
135.11653	3.5
137.09538	2.7
142.48833	2.8
145.10161	3.7
147.11697	2.7
159.08064	4.6
179.14285	79.3
189.11105	2.8
261.18527	5.8
307.22504	4.0
331.26382	4.5
363.28888	100.0
364.28946	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
55.08123	1.5
57.07059	5.4
67.05489	6.4
69.07058	3.0
69.37701	9.1
69.38120	4.1
71.08613	5.6
75.49059	1.5
79.05476	3.9
81.07049	9.2
83.08590	1.8
85.06529	3.5
91.05468	1.9
93.07047	5.4
95.08582	10.7
99.08068	4.1
105.07027	3.8
107.08577	2.0
109.06507	18.8
109.10128	2.6
117.12968	1.6
119.08569	2.3
121.10137	1.8
123.08050	27.7
133.10150	1.7
135.08051	3.0
167.14177	2.8
179.14290	100.0
180.14508	2.5
193.15950	1.7
241.10529	1.6
242.82782	1.5
325.94769	1.6
331.26181	5.2
363.28891	95.4
364.29385	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	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82926	2.0
53.03930	3.5
54.41245	1.8
55.01859	4.9
55.05494	3.1
57.03434	10.1
60.04525	2.7
61.02927	11.3
67.05497	6.4
68.65208	2.0
69.03426	27.2
69.07056	5.9
70.06587	3.1
70.77010	5.5
71.04965	3.7
73.02909	5.2
79.05465	9.7
81.03414	10.9
81.07053	10.8
83.04973	2.9
84.08130	2.0
85.02899	100.0
86.09673	6.1
87.04462	14.1
91.03945	5.8
91.04859	1.7
91.05478	4.7
93.07047	14.7
95.01308	2.7
95.08613	15.2
96.01659	1.7
97.02890	30.2
97.06481	3.3
99.04446	3.1
105.07023	2.5
107.08578	2.1
109.02847	8.9
109.06494	2.3
115.03922	10.9
117.03352	6.5
118.03700	5.2
120.08112	9.3
121.10143	23.8
123.00780	14.7
124.01108	7.2
127.03900	22.8
133.10071	2.0
139.11185	28.9
141.01837	6.8
142.02126	2.8
145.02882	10.0
145.04947	30.5
145.10028	1.8
146.03166	8.9
149.09578	4.4
157.12224	3.5
161.05940	2.1
163.06020	4.2
167.10649	3.5
169.01286	15.6
170.01643	9.2
171.01965	1.9
176.07031	2.4
176.10727	3.3
177.05429	20.5
178.05806	18.6
180.08792	2.1
180.10214	5.3
185.11623	2.9
189.08694	2.7
191.94615	1.8
205.10962	3.0
230.07539	6.2
231.02847	2.8
269.21033	1.8
273.13458	3.9
287.09152	2.0
302.17456	29.2
309.54630	1.9
316.62613	1.8
326.12845	2.1
346.20236	5.2
364.13144	2.1
364.21179	6.0
365.10699	2.7
365.16028	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01863	0.5
55.05499	0.7
67.05481	0.7
69.03402	0.9
69.07042	0.6
70.06572	1.0
71.52689	0.5
71.53057	0.4
72.08137	0.7
79.05473	1.5
81.03391	1.0
81.07043	0.8
83.01350	0.7
83.04980	0.5
84.08123	0.5
85.02885	0.4
86.09662	1.2
91.05451	1.0
93.07008	0.6
94.06543	0.4
95.04964	0.8
97.02886	2.1
97.06499	1.3
105.07008	0.7
107.04929	0.9
109.06532	0.6
109.10137	0.5
110.07150	0.4
115.05580	0.5
119.08590	0.5
121.02831	0.6
121.06506	0.5
121.10064	0.4
123.04417	0.7
125.05967	1.5
127.03931	0.4
135.04370	0.7
137.05902	0.6
139.03870	0.8
143.08554	0.4
147.04369	0.6
149.02324	0.7
149.05974	0.8
149.09619	0.4
153.04347	0.4
153.05418	2.6
155.06985	0.4
160.05177	0.5
161.06050	0.5
163.03888	0.4
165.01692	0.4
167.03275	0.4
167.07025	0.4
177.01927	0.5
177.05447	1.6
179.03442	0.7
181.04932	100.0
182.05341	2.0
195.06535	0.5
205.08653	0.5
209.04430	1.0
223.06026	1.9
247.76488	0.4
257.12933	0.4
303.13467	0.4
332.29593	0.4
345.09576	1.3
363.08456	1.2
363.19473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22838	0.2
50.53836	0.2
55.05492	0.6
57.03422	0.5
67.05496	0.5
70.92394	0.5
79.05479	0.7
81.07037	0.6
83.67184	0.2
91.03893	0.3
91.05474	2.1
93.07047	0.5
95.08625	0.3
101.81051	0.2
105.07026	0.6
107.04911	0.5
107.08592	0.3
109.06490	0.3
115.05450	1.2
117.05747	0.4
117.07027	1.9
118.06532	30.8
119.08555	0.7
121.10150	0.4
125.09627	0.5
127.03927	0.3
129.06992	0.2
130.06477	0.5
132.08076	2.9
133.08900	1.1
134.09621	0.4
142.06512	2.3
143.07326	2.3
144.04456	0.3
144.08080	11.2
145.06471	0.5
145.08408	0.4
146.05997	43.5
146.09608	2.3
147.06303	1.0
147.10402	0.3
159.08081	0.3
160.07588	0.6
160.11176	0.3
170.06006	4.2
171.06425	0.2
176.14328	100.0
177.14671	3.4
188.07050	29.7
189.07401	1.0
212.54259	0.2
216.13824	1.2
228.09474	0.2
234.14865	2.1
285.10144	0.3
289.18005	0.4
321.36371	0.2
363.20663	18.2
364.21066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1071
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03925	0.3
55.01860	0.3
55.05503	0.4
57.03421	0.3
57.81165	0.2
65.03918	0.4
67.05491	0.8
69.03413	0.8
69.07059	0.6
69.33171	2.0
71.04995	0.3
79.05476	1.9
81.03392	0.4
81.07034	0.7
83.01331	0.9
83.04966	0.4
84.08144	0.2
85.02906	0.5
87.06854	0.2
91.05463	1.0
93.03400	0.3
93.07034	0.7
95.04934	0.9
95.08607	0.5
97.02887	1.2
97.06516	1.6
105.07018	0.6
107.04951	1.1
107.08546	0.3
109.06508	0.4
109.10133	0.3
111.04403	0.3
115.05419	0.3
117.07028	0.4
119.08558	0.3
121.02898	0.2
121.06477	0.5
121.10094	0.3
123.00776	0.5
123.04420	0.4
125.05977	2.2
126.21178	0.2
131.08560	0.3
133.10155	0.4
135.04391	0.8
135.08086	0.4
137.05942	0.5
138.03073	0.6
139.03949	0.3
139.07603	0.2
145.02838	0.6
147.11624	0.3
149.02345	1.7
149.05951	0.7
150.43260	0.2
151.07559	0.3
153.01816	0.3
153.05447	5.0
154.05788	0.3
155.06998	0.6
159.07999	0.3
163.03857	0.3
165.05482	0.3
167.03307	0.4
167.07039	0.5
169.01227	0.5
176.14233	0.3
177.01894	1.3
177.05453	2.9
179.03374	0.7
181.04936	100.0
182.05316	1.7
187.03889	0.5
191.03346	0.5
193.04880	0.4
195.06546	0.5
199.03957	0.3
208.95110	0.2
209.04428	3.3
216.04134	1.0
217.04845	0.3
223.05972	1.8
229.08524	0.3
231.06354	0.3
244.03656	0.4
245.04411	0.5
255.02869	0.4
257.08023	0.6
259.06006	1.0
271.02362	0.4
282.56726	0.2
285.03867	0.2
285.07565	0.7
287.05331	0.5
289.03439	0.5
289.10709	0.6
299.01852	0.2
299.09161	0.3
303.04865	0.5
317.06656	0.5
317.10190	0.9
330.07251	0.3
331.04214	0.4
345.09665	3.0
346.09711	0.3
363.07083	1.8
363.11292	0.3
363.17896	0.3
363.22324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0913
Annotation	Centaureidin
Peak:m/z	Relative Intensity
52.54174	0.3
55.05502	0.3
64.49535	0.3
67.05494	0.4
68.99776	0.5
69.93218	1.6
69.93608	0.7
75.81435	0.3
81.03402	0.4
83.01333	1.3
83.04959	1.0
88.83058	0.3
95.08583	0.4
111.04388	0.8
124.05199	0.9
125.02352	0.4
139.03874	0.8
140.04622	0.6
141.06978	0.4
150.03116	0.5
151.03922	0.9
152.04671	6.0
165.01834	4.5
167.03386	50.1
168.03732	1.2
179.03358	1.5
180.04158	5.0
185.05952	0.8
202.06310	0.4
205.04939	2.2
206.02176	0.7
207.06519	1.3
208.03676	0.4
209.00752	1.6
213.05486	0.6
217.04871	0.8
221.04521	0.4
223.05927	0.8
224.03107	2.0
229.04964	0.6
230.05672	2.0
231.06413	0.4
233.04414	1.6
235.05980	0.7
241.04922	1.7
247.05910	0.7
254.69119	0.4
257.04483	1.3
258.05240	3.3
259.06079	0.6
261.03912	1.6
268.55072	0.3
269.04453	7.7
273.07498	3.5
274.04630	1.1
275.05496	6.0
285.03909	0.8
286.04599	1.6
287.05539	0.7
289.07031	0.9
297.03723	0.7
298.04666	0.5
301.07043	6.8
302.07407	0.4
303.04938	5.3
313.03403	2.4
314.04181	10.4
315.04791	0.6
317.06512	10.0
318.07346	3.4
328.05768	0.9
329.06516	21.8
330.06931	1.0
331.04373	1.5
346.06793	17.0
347.06729	0.7
361.09137	100.0
362.09491	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	363.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30002	0.8
53.16248	0.6
53.43914	0.7
54.17020	0.6
55.01855	1.0
63.02375	0.7
67.05493	1.8
68.51324	0.6
68.99770	1.1
69.03408	2.4
69.07050	1.0
70.06568	1.0
71.53175	1.0
78.04690	0.9
79.01839	0.7
79.05461	1.8
81.03420	0.9
81.07050	3.3
83.04964	0.7
84.08165	0.9
85.02930	1.5
85.06538	0.8
89.03905	10.8
91.05457	2.6
93.07043	1.7
95.00766	1.0
95.01321	10.2
95.04935	0.8
95.08570	2.4
97.02867	2.0
97.06518	2.2
103.05471	0.9
105.06995	1.4
107.04944	0.9
107.08585	1.4
109.10130	1.1
110.07094	0.8
117.03374	31.6
117.06953	0.9
119.04921	0.8
119.08604	1.3
121.06489	1.2
123.00782	74.1
124.01120	1.0
127.03860	0.7
127.07577	0.7
131.08569	1.1
134.03622	3.1
135.04413	2.4
135.08095	0.9
136.07553	0.7
141.01819	24.0
145.02837	63.5
145.10123	1.1
146.03186	1.9
149.05971	10.4
150.06601	0.7
151.03835	0.9
159.02881	1.0
159.11644	0.9
163.03935	1.4
163.11195	0.7
167.07022	0.9
169.01314	84.3
170.01636	1.7
173.13293	0.9
177.05458	100.0
178.05803	3.1
181.04932	0.9
181.08575	0.8
186.05515	1.5
187.07452	0.9
188.08321	6.1
194.05698	2.3
207.06795	0.7
225.12727	0.8
273.07584	1.1
299.05508	2.3
301.07181	0.9
363.10764	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	363.0708
Annotation	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
57.03419	1.6
57.07071	1.5
67.05476	4.3
68.99790	4.6
69.03416	2.6
69.07049	2.0
79.05480	5.5
81.03399	2.9
81.07027	3.9
81.52943	1.2
81.57893	1.2
83.04983	1.3
85.02895	1.7
85.41514	1.1
89.03872	1.1
91.05460	4.9
92.47221	1.1
93.07022	3.6
95.04945	4.1
95.08582	1.4
97.02841	1.4
97.06499	5.0
98.12016	1.1
99.04419	1.6
105.06985	3.1
107.04943	2.7
107.08561	1.5
109.06504	1.9
112.99974	1.3
115.05418	4.6
115.60685	1.1
119.04938	2.3
119.08574	1.9
121.06487	1.9
121.10135	1.6
123.00757	2.0
125.05960	2.2
125.86312	1.3
129.06960	1.3
131.08542	1.7
133.10101	1.9
135.07968	2.9
136.08467	1.2
137.02321	2.7
139.03793	1.8
145.02811	3.2
145.06444	1.7
149.02310	1.5
150.03105	1.2
151.03918	1.2
153.01799	8.9
153.05438	3.7
153.06758	1.2
159.08060	1.7
159.73831	1.2
160.05193	1.8
163.03961	1.3
165.05402	3.9
169.01314	2.2
171.04358	10.2
175.03943	2.7
177.01895	1.7
177.05438	6.0
178.02585	2.7
179.03416	1.5
181.04935	76.8
182.05229	1.7
187.03882	10.4
188.04573	3.7
191.03404	1.5
192.04189	1.8
199.03918	11.8
200.04623	2.8
201.05399	5.1
203.03374	10.4
203.06865	1.9
204.04063	2.3
207.06523	4.6
209.04506	2.6
211.07620	1.5
215.03351	8.2
216.02078	1.6
216.04161	32.3
217.04895	14.2
218.05504	1.6
219.06352	2.4
221.04504	2.3
227.03406	8.5
228.04008	2.9
229.04897	6.2
231.02977	6.6
231.06429	10.9
232.03589	2.7
233.04367	3.9
242.02034	2.9
243.02753	3.9
243.06635	1.5
244.03641	21.3
245.04396	20.7
253.01233	1.7
253.04822	2.1
255.02866	15.4
256.03366	1.6
257.04422	12.8
258.05048	1.4
259.02399	7.3
259.06003	55.6
260.03073	4.8
260.06299	3.1
261.03986	5.1
264.02728	1.5
270.01569	3.1
271.02341	18.5
271.94122	1.2
272.03058	4.0
273.03830	2.8
274.04688	5.2
275.05460	3.0
276.06186	2.0
277.07065	2.7
285.03967	6.4
287.02243	1.8
287.05460	20.4
289.03400	19.6
289.17853	2.0
290.03940	1.9
292.08606	1.3
299.01807	17.9
303.04959	20.8
304.05267	1.3
304.65646	1.2
317.06387	15.5
318.07098	1.4
319.07956	2.6
331.04416	18.2
332.04926	1.6
345.09326	1.7
363.07031	100.0
364.07346	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.2
57.22395	6.9
59.04974	8.3
60.50324	7.5
67.05491	35.7
69.07046	17.4
69.79811	39.5
69.80244	12.8
71.04978	34.1
79.05461	38.5
79.36486	7.2
79.84943	9.2
81.07027	40.2
83.08604	13.4
86.89060	7.8
91.05468	23.8
93.07044	45.8
95.08559	12.1
97.06538	7.4
97.10162	14.0
105.07011	17.5
107.08591	22.3
109.10142	31.1
119.08594	15.6
121.10147	38.0
121.29929	7.1
123.11702	7.9
125.09595	13.3
133.10149	12.4
138.38036	7.2
145.09987	10.4
147.11621	10.9
153.12769	31.3
153.66299	7.8
155.10646	8.3
159.11624	8.9
173.11731	51.9
178.06238	12.0
181.04903	16.6
189.11183	13.7
189.12799	8.3
191.32671	9.7
213.14708	9.6
272.20038	12.7
275.20026	28.7
315.47623	8.4
330.06940	9.3
360.11365	10.0
360.28925	100.0
361.09064	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	360.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
53.53645	3.3
55.05502	37.1
56.05045	4.4
57.07067	37.5
60.04522	53.0
65.03939	5.5
67.05500	71.3
68.05006	4.6
69.07066	51.9
69.28178	33.9
71.03725	29.6
71.04981	5.9
71.08626	24.3
71.17608	3.3
79.05477	11.2
81.07051	86.6
83.08607	40.0
84.04482	3.5
85.10164	13.4
88.03977	24.6
89.04762	19.8
93.07008	6.5
95.08601	100.0
95.90985	3.4
96.04517	5.4
97.10163	30.4
99.08095	4.5
109.10156	41.5
110.05997	8.5
111.11742	11.2
112.07594	3.8
114.05519	6.6
123.11707	13.0
137.13315	4.4
138.09088	5.4
178.06227	5.1
196.55849	4.1
200.39543	3.3
241.36485	3.6
294.27939	7.6
306.27875	7.6
324.28900	17.3
361.09244	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	361.0915
Annotation	Centaureidin
Peak:m/z	Relative Intensity
53.03930	0.4
55.05495	0.8
55.46590	0.4
67.05493	0.9
68.99787	0.8
69.07063	0.5
69.20574	3.7
79.05479	0.7
81.03412	0.7
81.07047	0.6
83.01332	1.7
83.04971	1.1
85.10181	0.4
86.09686	0.4
91.05463	1.0
93.07022	0.8
95.04973	0.7
95.08575	0.7
97.06512	0.5
98.20795	0.7
99.71274	0.4
105.07013	0.5
107.04970	0.5
107.08554	0.4
109.02885	0.7
109.06515	0.4
109.10086	0.4
111.04427	0.8
112.41792	0.3
119.08553	0.8
119.19380	0.3
121.10110	0.7
124.05172	0.9
133.10153	0.5
137.02312	0.6
139.03912	0.8
140.04663	0.4
143.08563	0.4
151.03894	1.1
152.04662	5.3
153.01848	0.4
157.06409	0.5
161.05925	0.5
163.03816	0.7
165.01830	4.4
165.05435	0.8
167.03387	46.2
168.03737	1.1
175.07591	0.4
178.06248	0.6
179.03392	1.4
179.07027	0.4
180.04158	4.6
189.09175	0.4
190.06363	0.4
191.06995	0.5
192.04129	0.4
193.04965	0.8
201.05444	0.4
202.10854	0.4
203.06985	0.4
205.04883	2.0
207.06548	1.1
208.03548	0.6
209.00786	1.3
213.05421	0.8
214.06328	0.5
216.04286	0.4
217.04947	0.8
221.04517	0.6
223.06030	0.9
224.03102	2.7
229.04997	0.9
230.05714	1.2
232.03673	0.5
233.04425	1.8
234.57648	0.4
241.04907	1.0
242.05632	0.5
243.06464	0.4
247.05994	0.6
257.04538	0.8
258.05209	3.8
259.05939	0.6
261.03989	1.7
269.04422	7.8
270.04861	0.6
273.07510	4.2
274.04605	0.9
275.05496	4.7
285.04025	0.9
286.04727	2.0
287.05499	0.7
289.06985	0.8
297.03818	1.4
298.04413	0.5
301.07086	7.7
302.04025	0.4
302.07281	0.4
303.04889	4.4
313.03296	2.2
314.04144	10.0
314.07651	0.7
315.04868	1.3
317.06519	8.7
318.07254	2.6
328.05869	0.9
329.06500	21.3
330.07040	1.1
331.04367	1.8
346.06802	15.0
347.06873	0.8
361.09146	100.0
362.09506	5.0
383.80658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2124
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05505	10.9
56.05026	3.6
56.30246	1.0
56.96581	0.8
57.05789	1.0
57.93231	0.8
60.04549	1.3
60.17747	0.9
69.07052	2.3
70.06587	10.9
70.49623	3.0
72.08148	100.0
73.08480	2.2
76.81315	0.9
84.04497	48.5
84.08141	3.2
85.02895	1.7
86.09698	98.7
87.10031	2.2
88.03976	1.4
91.05467	1.4
97.02897	0.9
102.05534	26.8
102.06190	1.7
104.02997	1.0
107.04953	1.2
110.07166	0.9
110.09702	1.7
116.07097	3.8
118.08633	8.2
120.08126	1.9
123.04395	3.4
127.03954	1.5
129.06583	2.2
129.10185	2.2
132.10188	51.1
135.04477	1.2
138.09128	16.3
147.04341	2.0
148.05988	1.0
155.11784	3.0
156.10194	12.0
163.03923	3.5
165.05479	1.2
169.13383	1.1
179.07042	1.5
181.04982	1.0
183.08803	1.1
183.11275	46.1
185.16484	8.2
191.06969	6.6
197.12817	4.8
201.12318	49.2
202.12793	1.4
208.09622	7.3
211.10756	11.8
213.15987	2.1
215.13885	7.0
217.13661	2.7
225.12418	1.3
229.11842	15.4
231.17020	2.7
243.13289	5.4
247.13004	1.5
360.06863	1.0
360.14548	1.5
361.09183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2125
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
54.03502	0.6
55.01869	1.2
57.03424	0.8
60.13032	0.6
62.17802	0.6
64.47036	0.6
66.41402	0.6
69.07064	1.4
70.02940	0.8
70.06592	1.2
71.52632	0.8
71.53003	1.0
72.08125	1.2
73.02912	5.4
73.08471	0.8
79.05484	0.7
81.03438	0.7
81.07034	0.8
84.08112	0.9
85.02914	1.0
85.04027	1.0
85.72366	0.6
86.09695	88.6
87.10011	0.9
88.03986	10.6
95.08614	0.7
96.08121	3.5
98.02414	3.9
100.03986	5.0
104.54686	0.6
105.07058	0.8
107.04911	0.8
109.02830	0.9
109.06572	0.7
110.02381	1.0
113.10777	3.1
128.03438	0.7
132.10181	7.4
135.04486	0.9
138.09134	5.2
139.03929	0.8
141.10205	11.8
142.08604	1.8
146.89308	0.7
152.14355	0.7
155.11803	1.5
156.09004	1.0
156.10188	11.2
166.08589	1.1
178.06326	0.7
183.11275	7.5
184.09697	3.1
201.12317	100.0
202.12646	1.8
211.10872	0.9
229.11815	22.0
245.18620	2.3
276.72046	0.6
316.19296	1.0
325.17230	0.7
329.10223	0.9
331.04541	0.7
360.11594	0.8
360.21698	1.3
361.09079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.6
55.05504	1.0
56.05010	0.9
57.03412	1.9
60.04505	1.4
67.05487	1.5
68.99770	1.7
69.03413	1.5
70.06210	0.7
70.06583	11.1
70.98696	0.6
71.26136	1.4
72.08144	7.6
79.05455	2.1
81.03411	1.0
81.07046	2.0
83.01313	1.1
84.04476	2.8
84.08113	2.4
85.02884	2.1
86.09706	5.0
87.10015	0.9
91.05457	2.8
93.07034	1.3
95.04935	2.6
102.05510	1.8
103.05441	1.0
105.06983	2.2
107.04897	1.8
107.08569	1.5
109.02870	0.9
109.06512	0.8
110.06031	1.0
115.05443	1.1
116.07079	1.7
116.98570	0.8
117.06976	2.7
119.04916	2.7
119.08437	0.8
120.08071	2.4
121.06505	4.9
121.07226	0.9
123.04414	27.0
124.04762	0.9
129.10213	1.1
131.08485	0.8
134.63695	0.8
135.04404	3.2
135.08057	3.8
136.07558	2.3
137.05910	2.1
139.03870	2.3
141.05511	0.8
145.06467	3.0
147.04384	7.6
149.05962	2.2
151.03860	3.2
153.05476	0.9
161.05943	2.0
163.03856	3.2
163.07526	14.5
165.05463	5.0
167.07016	1.0
173.05963	6.4
175.07495	1.0
179.07016	6.8
181.04877	1.5
181.08545	0.9
185.06067	0.7
188.07034	1.0
190.08623	14.0
191.07013	61.0
201.12341	2.6
203.06940	2.7
207.06416	2.5
208.09668	100.0
209.09975	2.1
213.12317	1.5
217.13469	1.1
220.09666	2.2
229.11861	1.5
243.13261	1.0
245.12918	1.2
301.07037	0.9
306.70493	0.7
325.10645	4.2
329.30405	0.8
331.04605	1.1
342.09885	0.9
342.13226	3.8
343.11707	2.6
360.14389	25.3
361.05392	0.9
361.09366	1.0
361.13638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	1.5
55.05503	1.2
56.05029	9.0
56.96560	14.1
57.03440	4.0
59.04999	0.8
61.02919	8.2
61.39747	0.7
65.03922	1.1
67.04220	1.1
69.03427	13.8
69.89764	2.0
69.90183	3.1
70.02916	1.1
70.06577	4.3
70.98115	1.5
71.04996	1.9
72.08150	11.8
73.02903	4.5
79.05486	1.1
80.94418	0.9
81.03413	5.4
81.09857	0.9
83.86099	0.8
84.04486	2.5
84.08140	10.3
84.96030	1.6
85.02899	30.8
86.09692	7.8
87.04442	1.1
87.05574	1.0
91.03945	1.4
91.05476	2.4
93.03394	3.6
96.04483	1.9
97.02875	12.5
98.97575	12.5
99.04424	3.1
99.05541	0.9
101.00880	1.5
101.02380	0.9
101.07095	1.0
106.06557	2.1
107.04943	17.6
108.19935	0.8
109.02876	6.1
110.97565	1.9
111.04433	12.8
112.05091	1.0
112.99120	2.3
113.03482	1.6
115.02429	1.0
115.03931	1.1
116.07118	1.3
116.98617	6.7
119.01907	4.1
119.04918	1.7
123.04418	1.2
124.07526	1.2
124.95482	1.0
125.01697	1.4
127.03934	7.2
128.98602	5.0
129.10211	9.6
130.93309	2.8
131.00140	2.1
133.03429	1.6
133.06213	0.9
134.05997	4.1
134.99628	1.9
135.04390	34.6
136.04689	1.0
137.05951	1.5
139.03899	44.9
139.04984	3.0
140.04254	1.4
141.06592	3.1
141.10207	1.0
143.00160	1.4
144.06554	1.2
145.03473	1.7
145.04935	5.3
146.99661	2.0
147.01382	1.2
147.11299	1.9
149.01166	1.5
149.02879	1.1
150.01799	1.1
152.07050	92.5
153.07420	1.5
157.03523	1.2
158.01411	0.9
158.99596	1.7
160.02766	1.0
161.02876	1.4
162.05493	1.5
163.02689	1.4
163.03836	7.8
165.00647	1.1
169.06081	3.1
170.96103	0.9
173.01186	1.3
173.02975	1.0
174.99281	1.1
175.04483	1.0
175.10747	2.7
176.07138	1.6
177.00677	2.7
177.04187	2.1
178.04912	2.0
180.06544	1.7
181.04936	49.4
182.05286	1.7
185.02815	1.3
186.08635	5.6
186.12401	4.5
187.13870	0.9
188.05911	2.3
188.97020	1.6
189.00674	1.4
189.02277	1.1
190.95462	1.6
190.98648	2.2
191.02231	1.7
191.03906	1.9
193.00221	1.9
194.08182	2.0
198.07597	100.0
199.07947	2.1
200.04308	1.2
201.00690	1.6
205.00056	1.4
206.06996	1.5
206.98045	1.0
207.01624	1.1
212.02536	1.1
214.03822	1.1
214.09151	1.2
219.01735	4.6
223.01172	1.0
223.07147	2.1
223.10864	1.0
232.96519	2.6
235.02963	1.6
237.02847	2.4
240.08665	1.7
240.13411	1.9
245.05099	1.2
248.99165	1.2
251.00514	1.1
253.08136	0.9
257.06006	1.4
258.06540	1.3
260.57602	0.9
263.00656	1.0
266.99951	1.1
270.10681	1.5
279.07144	1.2
280.08102	1.3
285.15805	1.0
296.11264	1.1
316.16873	2.3
324.10950	1.7
355.09265	1.4
360.13266	2.1
360.23508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.076
Annotation	Laxanthone II
Peak:m/z	Relative Intensity
55.05491	1.2
67.05476	1.9
68.99776	1.8
69.03423	1.0
69.07045	0.9
79.05473	1.4
81.03426	1.5
81.07036	3.2
84.08144	0.8
85.02885	1.4
91.05465	2.5
93.07032	2.0
95.08577	1.4
97.06478	1.0
105.06971	1.2
107.08572	1.5
109.06491	0.9
111.08070	0.9
113.05931	0.9
119.08557	1.3
121.10094	0.8
123.04388	1.1
129.06961	1.1
133.10126	1.4
139.03893	1.0
145.07672	0.8
145.10072	1.0
147.04407	4.5
149.05988	0.8
151.07463	0.9
153.01822	11.9
165.01791	1.5
169.06444	1.2
177.02048	0.8
179.07021	1.0
181.06409	1.1
183.02902	0.9
183.04422	2.7
185.05974	1.2
187.03897	1.2
191.03357	2.9
197.05972	3.7
197.16121	0.9
201.05463	1.0
210.50340	0.8
211.03867	1.1
213.05319	1.1
215.03375	3.9
223.02403	2.0
225.05492	5.5
228.88246	1.1
229.04921	2.5
237.05455	1.2
243.06569	3.2
253.04932	41.2
254.05458	1.5
260.38672	0.8
262.13171	0.9
269.04532	1.1
270.12686	0.8
271.05984	12.7
276.18866	0.8
281.04419	20.1
282.05130	6.5
299.05478	100.0
300.05817	3.0
309.04156	1.2
327.04993	13.5
329.06543	1.6
341.13562	1.2
341.20862	1.3
359.07562	65.3
359.11038	3.4
359.22040	2.0
360.07782	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	359.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27055	0.8
53.03923	1.4
55.01853	1.2
55.05490	1.2
57.03415	2.3
59.04968	0.9
61.02911	2.3
67.05498	1.5
69.03419	7.3
69.07039	1.8
70.06583	4.1
71.04998	1.0
71.26537	1.2
72.08128	2.0
77.03899	0.7
79.05493	2.1
81.03405	2.3
81.07037	2.3
84.04478	0.7
84.08118	1.8
85.02898	27.7
86.09693	11.6
87.05549	0.9
91.03912	1.0
91.05457	5.2
93.07030	7.2
95.04940	2.6
95.08572	1.4
97.02879	7.3
99.04458	1.6
99.11692	0.7
103.05431	1.0
105.01837	0.8
105.07012	6.3
107.04937	1.1
107.08583	20.0
109.02853	2.4
109.06513	2.3
109.10125	2.2
113.05984	1.0
119.04919	1.1
119.08559	2.6
120.08051	1.5
121.06483	2.7
123.04426	1.3
127.03912	5.8
129.10205	1.7
131.08600	0.8
133.10117	23.3
135.10699	1.4
135.11674	19.2
137.05959	1.6
137.09599	1.7
138.09056	0.9
143.08517	0.9
145.04897	4.0
146.07211	0.7
151.11137	0.9
161.09595	12.1
166.08670	0.9
177.05548	1.0
178.07707	0.8
179.10654	36.8
180.10997	1.8
183.11237	1.6
191.06924	0.9
197.11705	100.0
198.11995	3.9
200.13882	2.3
208.09677	1.7
212.43692	0.7
213.07683	1.0
228.13434	1.9
265.08652	1.0
291.72208	0.7
296.19846	0.8
297.11234	1.0
311.12872	1.1
317.48959	0.8
359.11108	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03931	0.7
55.01849	0.9
57.03435	1.1
58.60929	0.5
61.02903	2.1
69.03436	3.9
69.07057	0.7
70.06567	1.6
70.10741	0.5
70.65183	1.3
70.65542	0.9
73.02898	0.9
79.05471	2.2
81.03410	1.4
81.07043	2.7
84.08135	0.9
84.55849	0.5
85.02898	8.3
86.09698	7.4
91.05469	3.8
93.07034	5.9
95.04974	1.1
95.08594	1.8
97.02875	2.3
97.06514	0.6
99.04408	0.6
105.07023	8.7
107.04958	1.2
107.08585	33.6
108.08891	1.0
109.02861	1.3
109.06505	1.4
109.10127	1.8
119.04893	0.7
119.08569	4.4
120.08867	0.5
121.06461	0.6
121.10130	5.7
123.08056	0.6
123.11652	0.8
127.03883	1.6
129.10228	0.6
131.08522	1.6
133.10118	20.7
135.04358	0.7
137.05959	2.0
137.09578	0.6
139.03943	0.6
139.07570	1.3
141.10184	0.9
143.08528	0.7
145.04906	0.8
149.09604	5.1
151.07457	1.0
151.11160	8.1
153.01842	0.7
155.11716	1.1
161.09622	5.7
163.03867	0.9
167.07091	0.8
167.10674	13.6
179.03439	0.8
179.10654	15.9
180.10905	0.6
197.11719	100.0
198.12109	3.1
200.13933	4.6
205.59825	0.5
228.13393	1.3
253.08495	0.6
271.16895	0.6
299.05679	1.2
304.57684	0.5
313.07108	4.8
314.07224	0.6
341.06567	1.0
359.07538	5.0
359.11304	0.9
360.07892	1.2
374.45496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	1.4
55.05508	7.1
56.05021	7.7
58.71705	1.2
61.02925	1.2
61.27757	1.3
69.03423	2.1
69.07038	3.8
69.64961	7.4
70.06580	10.1
70.66088	1.1
72.08143	86.3
73.08471	1.7
74.10329	1.2
75.22230	1.3
81.07041	1.3
83.04963	2.6
83.06091	64.5
84.04493	68.1
84.08128	6.3
85.02876	4.0
86.09691	100.0
91.05443	1.2
95.04961	2.6
96.04469	3.1
97.02850	3.4
99.80720	1.1
101.07134	12.1
107.04942	3.3
109.02796	1.4
110.07137	1.7
113.07118	3.4
116.07053	2.3
118.08640	46.6
119.04909	2.1
120.08061	1.3
121.06477	1.6
123.04459	6.2
124.11163	1.4
125.05966	4.1
127.03902	2.0
129.06566	11.8
129.10225	3.8
132.10185	22.9
135.04335	1.3
137.05931	3.6
138.09109	10.4
141.06528	5.6
145.04907	1.9
145.06464	1.4
147.04358	3.8
151.03828	2.0
152.10690	7.1
155.11772	5.1
161.05920	1.3
163.07504	4.0
167.03325	2.1
167.07066	2.0
169.13306	3.3
169.64944	1.2
173.05956	1.4
175.10693	1.6
179.06935	2.3
182.12852	19.7
183.11266	18.0
185.12860	3.0
185.16521	1.4
190.08583	2.2
191.07028	13.1
196.14427	41.3
197.12839	31.5
200.13918	8.7
208.09660	18.1
210.12346	7.6
211.10782	3.4
214.15462	19.8
224.13910	19.8
225.12283	5.7
228.13409	5.2
231.16968	4.1
242.14990	12.3
296.19608	1.5
324.19061	1.2
329.06488	2.1
341.21771	40.3
342.20316	2.3
343.11832	1.3
359.11124	4.4
359.16473	2.8
359.23212	3.8
360.14243	5.3
381.88895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
54.82679	0.7
55.01863	3.5
57.03419	3.0
59.42523	0.7
61.02917	2.8
65.03928	2.8
67.76541	0.6
68.99783	2.4
69.03425	16.7
70.06579	1.8
70.45761	1.8
71.04978	0.9
73.02912	4.1
79.05487	1.4
81.02682	0.8
81.03413	17.5
84.04488	1.0
84.08132	1.2
85.02897	29.4
86.09699	1.1
87.00822	13.3
91.03947	1.2
92.05003	5.4
93.03429	0.7
97.02889	8.7
99.04439	5.9
99.83205	0.6
103.03935	1.9
105.01842	7.5
106.06545	7.8
108.04477	2.2
109.02872	12.4
109.05246	5.0
110.06030	100.0
111.04413	2.0
111.06364	1.5
116.07079	0.7
117.01852	2.3
120.04484	2.8
122.06013	4.7
127.03918	21.4
129.01837	3.5
133.98654	0.6
134.06003	18.2
136.07553	1.2
145.04942	7.8
146.05988	2.3
147.02892	2.7
147.04147	0.6
148.07582	1.8
152.07048	12.6
159.02882	9.7
162.05511	1.1
162.09091	0.9
164.06981	0.8
165.83607	0.7
172.07570	2.8
176.07082	4.9
189.03966	0.9
190.08740	1.1
200.07040	7.4
218.08160	4.2
231.05009	2.8
236.09114	1.6
254.10391	1.2
304.08130	1.0
311.33630	0.7
322.09100	3.4
340.10327	6.9
358.11182	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	358.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	42.7
58.77935	2.8
69.34615	2.4
71.51279	3.3
71.51682	3.6
71.95257	7.7
91.05797	3.3
97.02863	4.1
98.97570	95.7
99.97889	3.4
109.02834	3.9
116.98606	100.0
119.01917	7.5
130.93323	3.5
134.99640	98.3
136.00009	2.8
136.87210	2.3
137.02919	5.4
142.03575	2.5
146.99565	2.9
153.00697	18.7
153.85414	2.5
154.93146	2.7
158.01306	6.4
159.56250	2.4
172.94312	7.2
174.97737	4.5
177.00897	8.9
178.00916	3.0
190.95398	17.0
192.95158	3.0
192.98737	2.9
208.96489	9.5
214.95416	5.9
216.98610	6.1
218.03690	3.1
219.01979	12.2
221.01733	5.8
232.96446	41.7
233.96864	2.5
234.99722	16.1
246.90936	2.8
250.97548	20.9
256.96497	14.2
258.99783	10.1
261.03021	8.2
262.03125	3.2
263.02988	5.1
270.91010	3.1
272.94479	6.0
274.94357	3.7
274.97513	34.1
275.97614	2.8
276.97784	5.3
277.00858	20.1
278.01010	4.9
278.97098	3.1
279.00598	4.3
282.99802	3.7
288.92166	12.1
290.95465	5.6
292.95596	4.4
292.98605	14.2
298.97644	12.5
306.93143	6.3
316.95099	6.7
316.98724	22.3
318.98563	4.0
329.06226	2.8
330.93063	3.2
333.92722	9.2
334.96310	9.5
340.98682	6.0
341.89688	5.6
342.93341	5.0
354.93326	3.0
358.99976	15.7
359.11349	3.5
370.91467	4.5
372.94504	5.1
376.97501	7.8
377.07333	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01863	2.3
55.05506	46.9
57.03434	9.5
57.06803	2.0
57.07067	29.8
67.05495	39.7
69.07063	56.3
69.82822	9.4
70.06580	8.5
70.07394	2.1
70.32505	1.6
71.08626	16.5
75.04461	1.9
79.05492	29.1
81.06594	3.0
81.07049	52.4
83.04942	2.1
83.08610	42.2
85.06539	1.9
85.10154	5.6
88.07616	12.5
89.07951	1.7
91.05442	4.6
92.46225	1.5
93.06482	3.4
93.07034	41.1
95.08598	49.8
97.06514	17.1
97.10149	25.8
102.09184	2.2
103.03927	5.0
103.09493	2.2
106.08646	6.5
107.08572	27.6
109.10142	23.5
111.08072	6.6
111.11693	6.5
113.48338	1.8
115.07584	2.0
119.08558	1.9
121.10133	54.1
123.11670	11.7
125.09627	4.7
125.13254	2.3
129.05492	2.0
133.10101	1.7
135.11670	37.8
137.13257	4.0
139.11163	3.0
149.13243	18.1
151.14833	6.2
153.12740	3.3
163.14764	6.7
165.16397	5.6
166.94179	1.6
177.16382	4.5
181.15788	1.9
191.17853	4.4
195.17453	2.3
247.24190	45.0
265.25235	34.5
266.25250	1.9
283.26300	3.3
339.28937	26.4
339.34317	4.6
357.26379	2.5
357.30365	5.3
357.35507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2995
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.34504	4.2
53.03920	4.2
55.05507	72.0
57.03414	14.6
57.07071	40.2
67.05497	89.4
69.07059	93.3
69.26192	28.2
69.26604	7.3
71.08623	28.8
75.04475	4.6
79.05483	60.9
81.07047	100.0
83.08610	78.6
85.06561	5.7
85.10178	9.8
88.07605	7.4
90.66463	3.8
91.05473	3.8
93.07037	69.1
95.04944	4.3
95.08599	75.3
97.06512	28.2
97.10159	50.3
103.03980	4.5
107.08580	50.0
109.10148	47.8
111.08051	14.6
111.11705	17.7
114.32795	4.0
115.07588	5.4
117.83914	3.5
121.09327	7.4
121.10132	86.4
123.11674	15.6
124.08315	4.0
124.13525	3.5
125.09638	6.8
125.13228	4.9
131.91475	3.9
135.11687	57.9
137.13232	6.9
139.11171	9.0
141.84467	3.4
142.74751	3.9
149.13286	27.2
151.14812	8.2
153.12634	4.9
163.14850	20.9
165.16376	11.2
167.14345	6.8
170.81242	3.9
173.11655	7.7
177.16359	7.1
179.18170	3.3
181.15906	6.3
191.17911	5.6
209.18979	4.1
228.53273	3.8
247.24203	86.7
254.03850	4.0
265.25250	69.8
339.28903	43.7
357.30975	6.9
357.35461	49.8
358.36734	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	358.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87753	1.7
57.94490	2.2
70.06575	6.2
72.08196	2.2
81.52945	1.9
84.08121	2.4
85.02903	4.1
109.28178	2.0
110.06059	3.5
116.07074	2.0
163.77449	1.8
172.01810	2.3
175.11925	5.9
196.03717	58.3
254.88628	2.5
358.08917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1328
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
53.43147	0.4
55.01862	1.1
55.05498	0.5
56.96548	1.3
65.03922	2.1
67.05492	1.9
68.99770	2.0
69.03418	1.5
69.07052	1.3
69.52665	0.4
71.52457	0.4
79.05495	3.1
81.03382	1.0
81.07040	2.2
89.03902	1.1
91.05457	6.0
92.72988	0.5
93.03394	1.6
93.07042	3.2
95.00762	0.5
95.01278	2.2
95.04938	1.9
95.08595	1.6
97.02891	0.7
98.97578	1.8
105.07005	2.7
107.04951	3.4
107.08556	2.3
109.02850	1.1
109.06493	0.7
109.10153	1.2
111.04430	0.8
116.98575	1.2
117.03352	1.1
117.06992	1.3
119.04926	13.0
119.08579	1.3
121.02851	1.5
121.06483	1.4
121.10110	1.3
123.00774	8.5
123.04408	2.6
123.08056	0.7
128.98584	0.7
129.06979	1.2
131.00169	0.9
131.08502	0.8
133.06445	0.5
133.10081	0.6
134.99625	0.6
135.04395	2.5
135.08018	0.8
135.11684	1.0
137.02287	2.3
141.01801	1.4
145.02898	2.2
145.06541	0.6
145.10092	0.6
147.04393	34.4
147.08006	0.9
148.04721	0.8
149.01192	1.4
149.02319	2.5
149.05978	0.9
149.13293	0.9
157.10037	0.5
158.99643	0.8
160.05170	1.0
161.02383	0.7
161.05908	0.6
163.03883	11.0
165.01817	46.8
165.77402	0.5
166.02216	1.1
167.02148	0.8
167.03381	5.7
170.99628	0.8
173.05899	0.5
175.07492	0.9
176.04649	0.5
177.00688	1.2
177.05466	1.3
181.01300	3.8
182.12401	0.5
183.02867	26.9
184.03195	1.1
189.00688	1.0
191.03641	0.6
191.06985	3.8
200.72644	0.5
201.05415	0.6
203.07010	1.8
209.07982	0.5
211.07486	0.8
217.08504	0.7
219.06459	2.7
219.09973	0.6
221.08067	3.1
237.07524	1.1
239.07008	0.5
242.05733	0.8
245.08000	1.3
247.09702	0.6
255.08986	0.6
257.07275	0.6
267.06555	1.6
269.08188	0.5
277.21539	1.0
278.59781	0.5
281.07941	0.6
283.06107	0.7
284.06271	1.0
285.07532	40.5
286.04889	1.0
286.07953	1.9
311.06418	0.7
311.12854	0.6
321.04880	0.8
321.10626	0.7
339.11990	6.5
357.13254	100.0
358.13608	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	357.1327
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
55.01864	4.8
56.90702	0.5
59.04939	0.5
60.62424	0.4
67.05479	0.6
67.86866	0.4
68.99781	2.9
69.03387	0.5
69.88062	2.7
71.64525	0.4
75.05217	0.4
79.01838	1.1
79.05434	0.6
81.03414	1.7
88.47954	0.5
92.99763	1.2
95.04942	1.9
97.02875	1.3
98.20853	1.0
99.00757	1.4
107.04937	17.2
107.08623	0.5
111.04391	0.9
119.04919	0.5
121.02829	1.4
123.00783	1.1
123.04414	5.0
135.04427	3.7
137.02309	3.7
137.05956	0.7
139.03879	41.5
140.04239	1.0
141.01805	12.8
147.04356	0.9
149.02306	1.1
151.03932	0.8
154.48499	0.6
155.03331	0.5
163.03853	1.0
165.01808	83.1
166.02142	2.2
167.03439	0.7
171.08080	0.6
179.03362	13.2
183.02859	72.9
184.03192	1.7
195.02863	8.2
195.10129	0.5
221.07974	1.1
227.06981	1.9
255.06488	6.5
273.07565	1.9
283.05969	0.8
300.05746	0.7
301.07022	100.0
302.07312	3.6
305.13693	0.5
335.12115	0.6
357.13263	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	357.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01862	2.8
67.05483	1.1
68.99792	1.7
70.92400	1.8
79.01845	1.6
79.05480	1.4
81.03407	3.0
81.07033	0.8
85.02872	0.9
90.06176	0.6
91.05436	1.5
92.99751	1.9
93.07008	1.0
95.04967	1.4
95.08561	1.3
97.02892	1.6
99.00782	1.0
105.07022	2.0
107.04949	1.5
107.08525	0.9
109.06464	0.8
109.10129	0.7
115.05543	0.8
119.04927	1.0
121.06545	0.6
123.04407	1.1
131.08533	0.7
133.06436	0.7
133.10118	0.6
134.09837	0.6
137.02327	3.7
137.05989	3.5
141.01819	9.3
145.10143	0.6
147.04404	3.2
163.03906	0.8
165.01819	84.3
166.02138	1.9
167.03377	1.0
167.07079	0.8
175.07562	1.0
179.03329	1.1
183.02870	100.0
184.03209	2.0
191.03423	4.0
207.96626	0.7
221.08080	1.8
283.06015	1.0
301.07031	73.0
302.07327	3.0
357.09555	0.9
357.13321	8.9
357.20258	0.9
357.24191	1.2
357.27954	1.0
362.44638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1326
Annotation	Kenusanone J
Peak:m/z	Relative Intensity
52.63215	0.4
55.01859	2.8
58.80179	0.4
67.05491	0.6
68.99780	2.1
69.03423	0.8
69.80622	2.5
72.03733	0.4
75.66767	0.4
79.01828	1.1
79.05455	0.6
81.03410	1.5
81.07046	0.7
91.05447	0.5
92.99757	1.2
95.08540	0.6
97.02862	1.5
99.00806	0.7
101.24671	0.4
105.07005	0.8
109.02772	0.4
117.07032	0.5
121.10139	0.5
123.00783	1.0
123.04400	1.8
131.08545	0.5
135.04353	0.5
137.02318	2.8
137.05968	2.5
141.01805	9.1
147.04414	0.4
155.03374	0.5
163.03879	0.8
165.01804	100.0
166.02144	2.4
179.03362	1.6
183.02856	88.0
184.03177	2.4
191.03357	3.3
213.06371	0.4
221.08054	1.0
238.42270	0.4
259.05963	1.0
283.05908	1.0
301.07013	96.3
302.07324	3.5
357.13278	5.0
358.13785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1326
Annotation	Laurifolin (flavonoid)
Peak:m/z	Relative Intensity
55.01859	3.8
55.05497	3.8
56.55865	1.6
56.96563	3.9
57.03404	2.8
61.02927	3.2
65.03922	5.0
67.05484	6.7
68.99505	1.6
68.99785	16.9
69.03400	3.4
69.07060	3.2
79.05482	8.6
81.03382	6.3
81.07036	7.1
83.04971	3.2
83.08612	2.9
85.02879	5.1
89.03909	11.1
91.03955	2.1
91.05415	9.6
93.03388	4.4
93.07049	3.7
95.04950	5.7
95.08558	5.7
97.02898	2.7
99.04349	2.1
105.07008	12.1
107.04930	7.3
107.08584	10.7
109.02848	5.1
109.06470	3.4
109.10181	2.3
111.04449	3.5
117.03365	15.4
117.06909	3.6
119.04909	6.1
119.08600	8.9
121.02853	6.1
121.06499	2.1
121.10041	2.8
123.04391	7.3
127.03886	3.8
127.46358	1.8
129.06996	15.4
131.08606	2.6
132.05641	2.1
133.06488	4.6
135.04388	24.9
135.08026	4.4
137.02315	10.7
137.05951	3.8
139.03911	2.6
145.02826	17.3
145.06458	2.9
145.10136	2.3
147.04388	6.1
147.08037	11.7
147.11647	1.7
149.02321	7.8
149.05885	2.7
153.05515	2.5
157.06438	2.7
159.07948	2.9
160.05190	8.3
161.02278	3.0
161.05966	3.2
163.03899	100.0
164.04207	2.0
165.01849	11.1
167.03371	12.4
175.03972	2.0
175.07567	11.5
176.04625	2.2
177.05357	3.1
179.03383	2.6
183.02853	7.3
185.05934	2.5
187.03883	1.8
193.12221	2.5
201.05565	2.1
203.07074	18.0
211.13295	5.4
219.06461	5.3
221.08070	49.3
237.07603	4.9
247.09756	2.7
267.06552	3.9
267.08978	9.7
278.87634	1.9
283.05984	27.0
284.06491	2.3
285.07431	11.3
285.10095	19.2
286.10562	3.6
298.05948	1.9
299.05438	2.5
300.06088	2.0
301.06955	3.9
303.99838	1.8
328.05649	3.1
329.06403	4.7
339.12265	58.2
340.12598	3.3
357.06128	30.5
357.13260	70.4
357.24002	2.8
358.13257	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	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01861	5.9
57.03409	5.4
58.50702	2.3
60.13625	2.1
61.02906	8.1
67.78337	2.4
68.99783	4.0
69.03423	36.6
70.06587	14.1
70.84024	2.3
71.04968	4.3
71.51975	4.2
72.08126	4.2
73.02908	4.2
73.04733	3.9
73.06535	12.6
81.03416	21.6
83.01339	2.8
84.04466	2.6
84.08162	3.9
85.02896	100.0
86.03249	2.3
86.09692	6.4
87.00818	47.6
91.05788	21.7
92.05718	2.8
97.02885	32.0
99.04431	10.5
105.01853	95.0
107.04887	3.4
109.02866	27.0
110.07118	5.6
111.04456	2.3
117.03352	2.8
119.04919	3.0
121.02828	3.1
123.04362	2.9
127.03899	75.8
129.01866	3.2
135.04353	6.1
136.04758	6.0
139.03894	6.8
144.49533	2.3
145.02859	4.0
145.04953	25.9
146.03175	5.1
151.03938	2.7
159.02863	9.5
160.82811	2.9
163.03879	21.3
164.04224	25.8
191.03409	4.0
195.02879	4.4
206.05426	3.7
213.03938	4.9
219.03076	3.0
223.32449	2.9
231.04938	19.0
236.06261	2.8
249.06041	2.7
269.97620	3.5
278.07462	3.7
341.10388	2.5
356.07047	6.4
356.12817	9.0
357.01187	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	356.3518
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03936	0.4
55.05507	9.2
57.07069	1.9
58.06592	0.4
61.94732	0.3
62.06059	0.3
66.79260	0.3
67.05498	0.6
69.07065	7.7
70.06586	12.1
70.97617	0.7
70.97960	0.3
71.05822	0.3
71.08624	0.8
80.87709	0.3
82.34258	0.3
83.08607	3.2
85.10154	0.4
86.67945	0.3
88.07620	16.2
89.23335	0.3
93.90299	0.3
95.08611	0.4
97.10155	1.2
102.09177	4.1
106.08656	8.5
111.11665	0.5
113.79667	0.3
181.17473	0.3
312.32654	0.5
338.34146	6.5
345.77066	0.3
356.35178	100.0
357.35538	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01865	9.1
55.05502	26.1
56.38799	2.7
57.03427	6.7
57.07055	14.7
61.28583	3.1
67.05493	50.6
69.03426	19.3
69.07058	60.0
70.06583	4.2
71.04977	10.2
71.08608	5.9
71.53098	4.3
71.53501	4.0
73.04741	8.4
73.26827	3.6
73.95368	3.5
79.05478	49.8
81.03381	8.5
81.06596	6.8
81.07050	100.0
83.04961	12.0
83.08588	12.8
84.08122	3.4
85.02889	6.6
85.06556	4.9
91.05475	32.5
91.05878	7.5
93.07028	48.2
95.04964	21.8
95.08591	55.6
97.02891	7.7
97.06517	24.1
97.10141	12.7
99.04468	6.7
99.08092	4.9
100.11269	8.3
105.07027	39.5
107.04933	24.6
107.08578	91.8
109.06487	27.6
109.10140	63.3
110.80167	4.0
111.04446	4.1
111.08051	8.0
111.11718	5.0
115.05439	6.8
117.03323	4.3
117.07005	9.7
119.04917	12.7
119.08572	32.2
121.06478	7.7
121.10146	29.7
123.04424	6.7
123.08081	8.1
123.11698	44.0
123.20802	3.3
125.05969	3.6
125.09622	22.3
129.06987	4.9
131.04933	4.0
131.08525	8.9
133.02809	5.0
133.06473	13.6
133.10091	11.7
135.04410	5.6
135.08034	53.0
135.11691	15.4
137.05975	30.5
137.09607	26.3
137.13216	5.2
139.11198	3.6
143.04886	3.5
143.08562	9.0
145.02826	4.8
145.06470	9.9
145.10083	10.6
147.04399	9.6
147.08035	8.7
147.11638	7.9
149.02335	3.5
149.05928	7.0
149.09622	6.6
149.13199	10.4
151.03802	5.3
151.07553	5.7
153.01759	4.3
153.05399	4.6
153.09052	23.8
153.12726	6.6
155.10672	3.7
157.10037	4.0
159.11656	6.1
161.09595	7.1
161.13298	3.4
163.03880	15.0
163.07509	11.9
165.06903	5.0
165.09091	14.1
165.12686	9.7
165.67787	3.5
167.07069	16.6
167.08319	3.5
167.14293	4.0
171.10132	7.2
173.05983	4.3
173.13225	4.6
175.03871	17.7
175.14825	7.9
177.05421	12.3
177.16380	3.9
179.08667	3.2
180.07756	10.1
181.08583	7.4
182.15353	4.2
183.10147	5.4
185.02409	7.1
186.03094	6.3
187.11108	4.6
189.09056	4.1
191.14487	3.5
193.04926	7.3
193.15837	25.5
199.09634	16.4
199.14774	4.0
201.05458	17.1
207.08124	4.6
207.09933	3.6
210.15080	3.7
213.05447	3.5
219.02785	3.8
220.05133	7.0
221.05713	4.6
221.09702	5.0
231.06561	4.9
234.06743	7.4
235.07416	8.1
237.05115	4.0
249.08983	4.4
261.22202	6.0
263.07074	8.5
263.23627	5.0
268.97839	8.3
271.09839	4.0
273.22092	9.7
277.08841	4.9
279.06454	4.3
279.10062	3.5
280.07162	4.9
281.08167	4.4
283.20459	4.8
285.01028	5.8
291.23227	9.1
293.08044	3.6
295.09598	13.8
299.05490	5.3
301.21576	10.6
309.11203	4.9
319.22556	15.8
321.91614	3.6
322.08237	4.0
323.09088	8.8
327.12042	4.4
337.03406	7.2
337.10657	14.1
337.23685	27.1
355.04086	26.9
355.08023	5.3
355.11566	35.5
355.16086	5.1
356.11938	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01853	2.8
55.05507	37.6
57.03437	13.6
57.07067	12.2
67.05502	77.2
69.00693	2.2
69.07064	52.3
69.83408	14.5
71.08610	6.3
72.68363	2.7
74.02400	2.3
75.04480	2.5
76.82335	2.3
79.05482	25.4
81.07052	100.0
83.04984	3.5
83.08617	32.3
84.25714	2.2
85.06554	3.3
85.10173	2.3
91.05453	21.4
93.07038	34.2
95.04984	2.9
95.08601	80.8
97.06525	13.7
97.10159	20.0
99.08073	3.3
102.90025	2.2
105.07021	13.2
107.08574	21.9
107.99236	2.3
109.10152	44.5
111.08073	4.8
111.11703	10.8
119.08553	14.5
121.10128	25.5
123.11688	22.4
133.10109	19.2
135.11667	14.7
137.13246	8.3
147.11694	14.2
149.13261	16.0
151.11208	2.5
151.14821	7.3
157.11334	2.5
161.13278	18.0
163.14783	13.7
165.16408	8.0
175.14830	9.6
179.17868	2.8
189.16423	4.2
245.22636	49.4
246.22870	2.9
247.24319	2.3
254.47249	2.4
263.21109	4.4
263.23706	51.0
264.24030	3.0
337.27396	28.5
355.28311	10.1
355.33914	16.8
376.14349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05509	35.0
57.03425	8.7
57.07064	7.7
65.03905	5.7
66.69033	3.9
67.05499	86.6
69.07064	55.2
70.22337	7.7
70.22727	8.7
71.08602	8.3
79.05478	29.8
80.62218	4.8
81.06587	7.5
81.07047	100.0
83.04967	5.3
83.08607	39.0
87.80483	4.2
91.05466	16.7
92.35374	3.5
93.07036	34.7
95.08598	91.9
97.06541	9.8
97.10153	16.2
98.21540	4.7
100.03581	4.5
105.07009	15.3
107.08596	28.4
109.10134	43.9
119.08549	12.9
121.10127	29.8
123.11704	21.4
133.10117	18.7
135.11696	19.8
137.09575	5.8
137.13255	10.1
147.11646	14.8
148.84787	3.9
149.13258	13.1
161.13274	15.1
163.14780	10.1
175.14793	11.8
179.17943	4.2
189.16286	6.4
190.52574	4.5
201.08902	4.2
239.07539	4.2
245.22614	27.8
263.23682	41.6
269.09232	4.8
337.27353	25.0
355.28448	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89135	1.8
53.03934	2.3
55.05508	29.2
56.98199	2.2
57.03417	7.5
57.07071	10.4
67.05499	73.2
69.07062	38.3
70.22544	9.6
71.08612	6.0
73.70856	2.0
79.05488	28.7
81.07046	100.0
83.04989	2.9
83.08604	28.3
85.06494	2.5
88.94802	1.9
91.05444	18.7
93.07036	33.7
95.08602	72.4
97.06523	10.1
97.10145	17.3
99.08064	3.9
105.07019	11.1
107.08588	22.0
109.10152	33.6
111.08050	3.9
111.11703	7.1
113.09585	2.2
119.08555	14.6
121.10136	25.7
123.07997	2.4
123.11703	23.6
125.13264	2.5
129.05458	2.1
133.10121	20.4
134.33397	2.0
135.11713	15.4
137.13239	8.9
139.29208	1.8
147.11668	9.9
149.13245	15.2
151.11150	2.4
151.14810	6.1
161.13229	12.9
163.14822	13.3
165.12672	2.2
165.16348	7.7
171.11487	2.0
175.14774	11.9
177.16333	3.4
179.14401	2.6
179.17903	6.2
189.16338	4.2
211.14565	2.0
245.22617	44.8
263.23700	47.7
264.24091	2.5
337.27386	22.2
355.24619	2.1
355.28467	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	355.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76980	11.3
55.05506	47.4
56.95807	12.9
67.05504	85.0
69.07040	34.4
79.05482	36.3
81.07062	100.0
83.05003	13.2
83.08601	27.6
91.05817	25.5
93.07040	43.6
95.02082	11.0
95.08603	68.7
97.10166	36.0
98.21525	31.1
105.07055	18.7
105.09235	13.0
107.08562	18.0
109.10157	38.6
115.94202	13.7
119.08627	25.7
121.10136	19.0
123.02245	12.5
123.11690	24.8
133.10144	20.1
135.11624	21.4
140.27829	12.8
151.07555	21.6
161.13293	18.4
175.14847	25.6
245.22733	31.9
252.02415	15.2
263.23618	50.6
355.27985	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2476
Annotation	Troxilin B3
Peak:m/z	Relative Intensity
53.03946	3.6
55.01865	9.1
55.05502	26.1
56.38799	2.7
57.03427	6.7
57.07055	14.7
61.28583	3.1
67.05493	50.6
69.03426	19.3
69.07058	60.0
70.06583	4.2
71.04977	10.2
71.08608	5.9
71.53098	4.3
71.53501	4.0
73.04741	8.4
73.26827	3.6
73.95368	3.5
79.05478	49.8
81.03381	8.5
81.06596	6.8
81.07050	100.0
83.04961	12.0
83.08588	12.8
84.08122	3.4
85.02889	6.6
85.06556	4.9
91.05475	32.5
91.05878	7.5
93.07028	48.2
95.04964	21.8
95.08591	55.6
97.02891	7.7
97.06517	24.1
97.10141	12.7
99.04468	6.7
99.08092	4.9
100.11269	8.3
105.07027	39.5
107.04933	24.6
107.08578	91.8
109.06487	27.6
109.10140	63.3
110.80167	4.0
111.04446	4.1
111.08051	8.0
111.11718	5.0
115.05439	6.8
117.03323	4.3
117.07005	9.7
119.04917	12.7
119.08572	32.2
121.06478	7.7
121.10146	29.7
123.04424	6.7
123.08081	8.1
123.11698	44.0
123.20802	3.3
125.05969	3.6
125.09622	22.3
129.06987	4.9
131.04933	4.0
131.08525	8.9
133.02809	5.0
133.06473	13.6
133.10091	11.7
135.04410	5.6
135.08034	53.0
135.11691	15.4
137.05975	30.5
137.09607	26.3
137.13216	5.2
139.11198	3.6
143.04886	3.5
143.08562	9.0
145.02826	4.8
145.06470	9.9
145.10083	10.6
147.04399	9.6
147.08035	8.7
147.11638	7.9
149.02335	3.5
149.05928	7.0
149.09622	6.6
149.13199	10.4
151.03802	5.3
151.07553	5.7
153.01759	4.3
153.05399	4.6
153.09052	23.8
153.12726	6.6
155.10672	3.7
157.10037	4.0
159.11656	6.1
161.09595	7.1
161.13298	3.4
163.03880	15.0
163.07509	11.9
165.06903	5.0
165.09091	14.1
165.12686	9.7
165.67787	3.5
167.07069	16.6
167.08319	3.5
167.14293	4.0
171.10132	7.2
173.05983	4.3
173.13225	4.6
175.03871	17.7
175.14825	7.9
177.05421	12.3
177.16380	3.9
179.08667	3.2
180.07756	10.1
181.08583	7.4
182.15353	4.2
183.10147	5.4
185.02409	7.1
186.03094	6.3
187.11108	4.6
189.09056	4.1
191.14487	3.5
193.04926	7.3
193.15837	25.5
199.09634	16.4
199.14774	4.0
201.05458	17.1
207.08124	4.6
207.09933	3.6
210.15080	3.7
213.05447	3.5
219.02785	3.8
220.05133	7.0
221.05713	4.6
221.09702	5.0
231.06561	4.9
234.06743	7.4
235.07416	8.1
237.05115	4.0
249.08983	4.4
261.22202	6.0
263.07074	8.5
263.23627	5.0
268.97839	8.3
271.09839	4.0
273.22092	9.7
277.08841	4.9
279.06454	4.3
279.10062	3.5
280.07162	4.9
281.08167	4.4
283.20459	4.8
285.01028	5.8
291.23227	9.1
293.08044	3.6
295.09598	13.8
299.05490	5.3
301.21576	10.6
309.11203	4.9
319.22556	15.8
321.91614	3.6
322.08237	4.0
323.09088	8.8
327.12042	4.4
337.03406	7.2
337.10657	14.1
337.23685	27.1
355.04086	26.9
355.08023	5.3
355.11566	35.5
355.16086	5.1
356.11938	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	355.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96275	1.3
53.03939	2.1
55.01845	1.7
57.03416	1.6
65.03933	4.8
67.05477	1.6
69.03416	1.8
69.07069	2.2
69.88014	7.1
70.06568	4.3
72.08131	2.2
73.04745	4.9
79.05487	4.9
84.04502	2.8
84.08131	8.1
85.02896	12.7
86.09692	4.7
91.05834	16.7
95.04951	5.8
98.21469	1.8
103.05444	2.9
105.06972	2.3
107.04944	100.0
108.05270	1.9
109.02864	1.4
110.03642	1.3
110.07175	2.1
111.04437	2.7
114.07378	1.7
115.05456	7.0
117.03356	2.0
117.06980	7.2
119.04908	4.8
121.02860	35.6
121.06484	2.3
123.04408	2.9
128.06216	5.7
128.22974	1.4
129.07005	3.0
129.10239	3.0
131.04883	2.6
133.02892	2.7
133.06502	2.3
135.04408	5.4
137.05978	3.5
143.04868	1.9
144.05717	2.5
145.02863	2.3
145.06485	16.4
147.04385	3.8
149.05966	2.1
151.03894	2.3
153.05412	1.7
155.06026	3.4
156.05667	27.0
157.06502	11.9
159.08055	2.1
161.05988	6.9
163.03886	16.2
165.06999	4.6
167.07033	13.3
171.04388	5.0
171.06473	1.6
172.05220	1.7
173.05977	16.2
174.06679	1.7
177.05524	1.8
181.04939	35.5
181.06425	2.9
182.05389	1.6
183.07993	2.9
189.05550	6.8
189.06969	2.1
190.07733	3.1
191.03389	2.4
191.06944	4.8
191.08539	3.2
193.04944	10.8
193.08577	1.7
194.07251	3.1
196.05367	2.1
197.05998	2.0
201.05418	10.2
202.06277	4.9
203.06960	3.5
205.04944	37.6
205.06752	3.5
205.08626	5.4
206.05666	3.4
207.08049	3.9
208.08823	7.2
211.07532	13.9
213.05428	1.9
217.04944	6.5
217.08566	73.3
218.07240	6.4
219.02892	4.0
219.08029	10.5
222.06610	1.5
229.04964	12.8
231.06297	7.3
233.07942	4.5
233.09781	3.3
235.05908	23.3
236.08310	5.5
237.09138	3.6
239.07123	7.6
245.08109	2.7
247.07552	4.8
249.07246	2.7
249.09380	2.6
251.10617	9.1
255.06514	2.1
256.07101	3.3
259.05966	11.1
261.07620	6.4
262.06213	1.8
263.07016	2.8
264.07773	2.2
265.08566	3.9
268.97833	3.1
271.06464	2.3
271.09610	14.4
277.08572	5.8
279.10083	6.5
281.08023	1.6
283.05872	3.5
285.00906	7.7
289.06946	5.7
291.06528	1.7
296.10413	2.0
301.07184	6.8
303.01932	1.6
305.08069	1.6
309.07593	1.5
309.11185	2.6
311.12585	2.3
319.08130	4.9
323.09079	2.1
337.10501	2.7
355.06732	8.6
355.11435	4.2
355.16144	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	355.1173
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
50.84126	0.3
55.01853	1.0
55.05480	1.4
57.07068	0.5
59.04953	0.4
65.03918	0.7
67.05497	3.1
69.03419	0.8
69.07067	3.3
70.06562	0.5
70.08489	0.7
70.08907	1.4
73.04745	1.0
79.05492	2.7
81.03365	0.4
81.06595	0.4
81.07048	6.5
83.08596	0.6
85.02878	0.6
85.06503	1.4
91.05428	1.3
91.05833	0.8
93.07040	2.2
95.04932	0.9
95.08603	3.2
97.02833	0.4
97.06509	1.3
97.10149	1.5
105.07011	2.6
107.04932	2.1
107.08588	4.7
109.06444	1.0
109.10151	3.0
111.08102	0.6
115.03912	0.5
117.03343	1.1
117.06989	0.9
119.04918	1.9
119.08520	1.5
121.02850	4.0
121.10094	1.5
123.00763	0.6
123.11707	5.7
125.09596	1.8
129.06958	0.5
133.10129	1.0
135.04390	1.1
135.08015	1.7
135.11653	1.3
137.05966	2.7
137.09589	0.4
139.11159	1.3
141.01805	3.0
145.02837	2.3
145.06482	0.7
145.10072	1.1
147.11639	1.1
149.13232	1.4
151.07513	0.6
151.10983	0.5
153.01776	0.5
153.09068	1.2
157.10098	0.5
163.03905	5.7
165.01825	18.2
165.09096	0.6
165.12744	0.8
167.03378	0.5
167.06978	1.2
171.10123	0.6
173.05994	0.6
175.07466	0.6
177.05446	2.9
183.02873	8.4
187.07509	0.5
199.09605	1.3
199.14696	0.5
201.05487	1.9
226.99944	0.5
227.77710	0.4
231.06456	0.6
234.06705	0.5
235.07680	0.5
251.06863	0.5
262.06219	0.8
265.08719	0.4
267.06409	0.9
271.05994	3.3
271.09567	0.7
277.08600	0.9
279.06583	0.5
283.05978	100.0
284.06354	2.7
285.00812	0.9
291.06531	0.4
291.22977	0.5
295.06064	2.2
295.09372	0.6
297.07510	0.9
299.05490	0.6
301.21558	0.5
305.08063	0.8
307.05997	1.4
308.06683	1.0
309.07739	0.7
309.11179	0.7
313.06915	0.6
319.09512	1.1
319.22717	0.8
321.07599	0.8
322.08347	1.5
323.09265	0.9
337.10663	16.5
337.23526	2.5
338.10934	0.7
355.08173	1.3
355.11719	35.3
356.12112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1171
Annotation	2,3-Dehydrokievitone
Peak:m/z	Relative Intensity
55.01865	1.9
68.99776	1.0
69.03378	0.3
70.71300	0.6
76.37030	0.2
79.01855	0.5
81.03399	0.5
97.02876	0.3
99.00762	0.2
107.04934	0.9
108.06461	0.2
109.55078	0.2
123.00790	0.9
135.04407	2.2
137.02336	5.3
137.03358	0.3
137.16112	0.2
141.01810	6.3
141.07043	0.2
151.03966	0.2
155.03308	0.2
163.03862	0.3
165.01816	24.9
166.02022	0.2
180.64346	0.2
183.02869	9.9
197.05946	0.5
200.26892	0.2
203.03358	0.2
215.06886	0.2
225.05414	0.3
243.06430	0.8
245.04660	0.3
253.04936	0.8
271.06024	1.1
281.04471	1.3
299.05457	100.0
300.05804	2.7
304.89398	0.2
345.85056	0.2
355.07526	0.5
355.11703	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	355.1171
Annotation	Platanetin
Peak:m/z	Relative Intensity
53.51899	0.2
55.01830	0.7
67.65976	0.2
68.99750	0.4
69.03363	0.2
70.30070	0.4
70.30454	0.4
84.04908	0.2
123.00796	0.9
135.04401	1.5
137.02327	5.0
137.03343	0.3
139.10707	0.2
141.00764	0.2
141.01813	3.8
163.03854	0.2
165.01817	25.2
166.02126	0.3
183.02866	8.3
185.35344	0.2
203.03548	0.3
209.80948	0.2
232.11057	0.2
266.08423	0.2
271.05508	0.2
289.42422	0.2
299.05463	100.0
300.05789	2.9
311.54044	0.2
355.11722	9.0
356.12305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
51.08302	0.3
55.01853	0.5
65.03914	0.4
67.05488	0.8
68.99800	0.6
91.05433	0.7
95.08591	0.5
98.20764	0.6
105.07014	1.0
107.04939	1.4
111.04497	0.3
117.06980	0.7
119.04942	1.9
121.02850	4.5
131.04887	0.4
137.02318	0.4
137.05894	0.5
141.01799	1.2
145.02832	2.4
145.06485	1.5
147.04410	0.5
149.02347	1.1
163.03893	1.4
165.01819	7.5
167.03383	0.9
173.05962	0.7
177.01836	0.9
177.05499	0.4
178.94058	0.3
183.02855	3.3
189.01843	0.6
190.02582	1.3
191.03348	0.6
191.07030	0.7
199.32767	0.4
201.05476	2.0
203.03609	0.3
204.04167	1.0
208.03586	0.4
219.06436	0.9
229.04886	0.4
239.06946	0.5
255.06570	0.4
267.06467	4.4
271.05954	1.6
279.06470	2.4
281.08075	0.8
283.05969	28.7
284.06372	1.2
291.10013	1.1
293.08011	1.0
294.05280	0.7
294.08417	0.5
295.05963	8.5
295.09521	2.2
297.07547	0.9
299.05444	1.2
307.05957	7.4
308.06717	5.7
308.12189	0.4
309.07495	2.3
309.11139	1.2
318.69922	0.3
319.06119	0.6
319.09610	7.1
321.07544	5.1
322.08328	8.5
337.10654	100.0
338.10950	3.3
355.11682	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	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01853	1.7
55.05506	0.9
57.03423	1.7
61.02913	1.1
68.99769	1.1
69.03423	2.7
69.07056	1.6
69.47332	7.1
70.06573	3.9
73.02920	1.4
73.04738	3.0
79.05470	1.7
81.03415	1.1
81.06988	0.8
84.04499	1.3
84.08121	3.0
85.02896	6.1
86.09677	2.8
91.05821	11.3
95.04933	1.0
97.02873	1.7
103.03912	3.5
105.03378	8.9
105.07018	1.4
107.04964	4.5
109.02859	1.9
111.04502	1.0
114.07352	1.1
114.53006	0.9
121.02841	2.4
123.04395	2.2
129.07008	1.0
131.46393	0.9
133.02853	0.9
133.06464	0.9
135.04407	3.0
137.02354	1.1
137.05928	3.4
145.06511	1.6
147.04382	4.2
151.03902	1.1
156.05779	1.0
161.02330	1.0
161.05943	2.3
163.03917	8.5
165.01791	1.6
167.03360	1.8
167.06969	1.2
167.23273	0.9
177.05461	1.7
179.06964	2.6
181.04938	2.3
185.05951	1.2
189.05434	17.1
191.14359	2.0
192.04108	1.1
192.14597	1.2
193.04974	8.5
193.14879	1.5
199.07521	1.2
201.05470	3.9
203.03336	1.4
203.06999	8.7
205.04942	100.0
206.05571	6.6
207.06456	1.5
211.07516	1.3
213.05434	1.3
215.07048	1.5
217.04965	12.6
217.08565	4.0
219.02850	1.8
227.07002	2.1
229.04918	4.3
231.02870	1.4
231.06488	22.5
231.08607	1.7
232.06766	1.2
233.04367	1.5
235.05980	69.4
236.06271	1.1
243.06450	3.5
245.08104	9.5
255.06462	4.5
259.05966	34.1
260.06430	1.1
268.97696	1.5
271.06021	11.0
273.07520	1.8
277.06888	1.3
283.06003	10.8
285.00964	3.7
289.07016	19.7
296.48322	1.1
301.07025	14.8
319.08105	12.4
330.07538	1.1
337.09174	5.6
355.06482	4.3
355.10361	2.9
355.13641	2.5
356.06512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
50.51715	0.6
55.01868	1.3
55.05489	0.9
61.90976	0.6
67.05478	1.4
67.27615	0.6
71.52444	1.2
73.04761	0.7
79.05471	0.8
81.03372	1.0
81.07049	1.0
85.02866	0.9
86.97605	0.6
91.05774	2.6
93.07023	0.7
95.04945	0.7
95.08566	1.0
97.06514	0.9
98.09671	0.6
98.83391	0.6
105.07020	0.9
107.04951	3.4
107.08572	0.8
116.11701	0.6
117.07001	0.9
119.04913	2.2
121.02836	3.8
121.10172	0.7
131.04880	0.7
137.05989	1.0
137.75107	0.6
141.01808	2.3
145.02834	1.5
145.06448	1.0
147.04384	0.8
163.03877	1.3
165.01816	14.7
167.03441	0.7
167.07104	0.9
179.03436	0.8
183.02844	8.4
208.08846	1.7
211.07565	0.9
217.08556	1.1
218.07153	0.9
233.09622	0.8
236.08084	0.8
239.07016	1.0
251.10728	1.5
255.06525	3.6
262.16083	0.6
267.06509	1.7
271.06058	1.4
271.09570	2.0
279.10132	0.7
281.08005	0.8
283.05978	51.2
284.06256	1.4
285.00793	1.5
294.05176	1.3
295.06042	10.2
295.09470	1.5
297.07480	1.7
299.05270	2.9
307.05865	1.5
308.06799	1.7
309.07614	1.1
309.11069	1.4
319.09601	2.4
321.07410	1.0
322.08334	2.9
331.09671	0.6
337.10687	13.8
355.11697	100.0
356.12036	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	355.1172
Annotation	Platanetin
Peak:m/z	Relative Intensity
53.00300	0.4
55.01870	4.9
55.05496	0.4
65.03959	0.4
67.05482	0.7
68.99768	0.6
69.07062	0.5
71.52906	0.5
73.04732	0.9
79.01848	22.4
79.05479	1.1
81.03414	0.6
81.07024	1.3
83.04940	0.5
85.02879	1.2
91.05854	2.3
93.07031	0.5
95.04951	0.8
97.06522	1.6
105.03365	0.9
105.07029	0.8
107.04951	7.2
107.08597	0.4
109.06488	0.4
109.10174	0.4
115.05461	0.6
117.06988	0.6
119.04902	0.8
119.08545	0.6
121.02880	0.8
123.04406	1.5
129.06975	0.4
131.04886	0.6
131.08513	0.6
133.02869	0.4
133.10059	0.6
137.02332	3.2
137.05956	2.4
141.01791	0.5
141.06944	0.6
143.04909	0.5
145.06474	1.2
147.04410	1.2
155.04878	0.4
161.02324	7.0
161.05989	1.5
163.03870	0.5
165.01842	1.8
165.06984	0.9
167.07016	0.7
169.06473	0.6
171.04393	0.8
173.06035	2.3
177.01778	0.6
178.18465	0.4
179.08591	0.4
183.02853	1.1
183.04398	0.7
183.08083	0.5
189.05482	0.7
190.07663	0.5
194.07253	0.7
195.08122	0.6
197.05984	0.9
198.77199	0.5
201.05464	2.2
207.04456	0.5
207.08131	0.7
208.08841	1.5
211.03889	1.1
211.07553	1.7
213.05460	0.9
215.06931	0.6
217.05020	0.4
217.08556	0.8
218.07269	1.9
219.08034	1.1
221.09581	0.6
222.18529	0.4
223.11269	0.7
225.05406	0.8
227.03355	1.0
229.04973	1.4
233.09581	1.8
234.06819	0.5
235.03822	0.8
235.07364	0.5
236.08318	1.3
237.09093	0.8
239.06978	1.4
243.06427	2.8
247.07448	0.7
251.10585	1.9
253.04973	1.2
256.07272	0.5
261.09021	1.1
263.06940	0.5
264.07779	0.8
268.97629	0.5
271.06003	1.7
271.09616	4.5
275.05466	19.8
279.10052	1.3
283.05887	0.5
285.00989	1.1
299.05475	100.0
300.05795	2.4
311.12659	0.7
323.09106	0.8
337.10623	0.6
355.11707	44.4
356.12064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	33.3
59.38839	2.4
64.44437	2.3
68.96568	2.5
69.03418	4.7
70.54085	5.1
70.54485	5.1
73.04747	10.6
73.46687	3.0
79.05457	2.6
83.79485	2.7
84.96018	6.5
85.02886	6.5
89.03909	10.9
91.05791	19.7
96.85713	2.5
97.02891	5.0
97.96735	2.6
98.97574	100.0
103.59882	2.7
107.04942	3.5
110.07176	2.7
110.97540	21.7
116.98608	53.7
117.03369	8.3
123.61185	2.3
127.03919	2.5
128.98593	23.3
131.05042	2.9
134.99608	17.0
135.04440	21.3
139.03897	2.6
140.00157	2.7
143.00185	2.3
145.02831	10.9
146.99640	18.8
147.04451	3.6
149.05931	2.8
153.00679	2.9
158.99655	23.0
161.01192	6.1
163.03880	81.9
164.04263	5.3
170.99599	6.1
177.00656	24.9
177.05560	3.0
185.86284	2.4
189.00609	5.6
193.01672	7.6
211.02826	15.7
219.01732	27.2
227.02365	3.1
235.02795	13.6
237.02788	47.8
253.03807	11.6
255.03804	3.9
265.03802	3.4
268.97736	5.9
285.00949	9.6
355.07108	25.4
356.07132	4.0
373.08044	38.2
374.08328	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	355.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	14.1
61.63269	10.9
69.03409	35.6
71.11217	28.4
73.02904	13.5
85.02895	100.0
97.02865	21.6
107.31226	11.1
127.03905	40.7
143.01915	17.3
145.04874	15.2
165.98701	12.0
173.39893	11.5
174.03069	13.2
187.02693	14.5
224.23418	11.6
245.05220	18.4
246.05244	23.8
247.04901	14.5
355.07904	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	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70096	1.5
53.03932	4.6
55.01868	8.3
55.05518	1.5
57.03424	4.4
60.60653	1.7
61.02921	5.3
62.44032	1.4
67.05481	1.6
68.99796	1.6
69.03424	44.0
69.07058	1.8
69.26757	13.9
69.27165	2.9
70.06570	2.2
71.04988	4.4
73.02929	7.6
79.05486	2.3
81.02976	2.7
81.03410	23.2
81.07042	2.4
84.08114	1.5
85.02899	100.0
86.09699	3.2
87.00826	41.5
91.05406	3.2
91.05869	2.2
97.02882	32.6
97.10198	1.7
98.21473	2.8
99.04448	14.5
101.02323	1.6
105.01858	86.0
105.07014	2.4
107.04929	1.7
107.08540	2.4
108.04470	2.4
108.08880	1.9
109.02869	25.0
109.06516	2.2
109.10167	1.8
109.73657	1.6
113.08985	1.4
117.01852	2.1
117.03352	1.6
119.04935	2.0
119.08530	1.7
120.08071	1.6
120.08841	1.4
121.10186	1.7
122.03530	1.9
126.05532	1.8
127.03907	75.0
128.04308	1.5
129.01840	3.5
137.05949	15.8
139.11201	2.6
145.02841	3.5
145.03917	2.6
145.04953	33.4
147.04443	2.3
149.05951	1.7
159.02901	11.7
161.05972	1.7
163.03883	3.4
167.07088	2.9
172.05077	1.6
175.14824	1.3
177.05431	6.1
187.07516	4.6
189.03946	4.6
189.06940	1.8
191.06985	1.8
197.31075	1.6
201.05479	10.2
207.60040	1.5
231.04764	17.4
234.06825	4.1
247.07501	2.0
249.06030	6.4
250.06502	1.6
265.08636	1.9
277.08435	2.7
279.06479	2.0
290.08798	1.8
311.12622	1.8
322.11496	2.6
325.10739	2.2
337.10583	5.1
354.06586	1.7
354.14203	3.0
355.03113	1.8
355.07602	3.2
355.11679	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	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
54.62812	0.8
55.01866	8.0
55.05494	2.0
57.03435	7.0
60.04509	0.8
61.02927	6.3
66.26220	0.8
67.05482	2.2
68.99767	2.9
69.03421	34.9
69.07043	2.3
70.06568	1.6
70.40913	0.7
70.84177	2.0
71.04990	5.1
72.08134	1.2
73.02901	5.9
79.05467	1.9
81.03410	22.8
81.07041	3.6
82.07371	1.1
84.04507	1.4
85.02895	100.0
85.17814	0.9
86.03215	1.7
86.09697	1.5
87.00817	44.5
87.46668	0.9
91.03934	1.6
91.05467	3.9
93.07013	2.9
95.04978	1.2
95.08585	2.9
96.08842	1.0
97.02883	28.4
97.06495	1.1
99.04444	12.8
103.03954	1.3
103.05397	0.9
105.01853	64.8
105.07024	7.4
107.04926	2.2
107.08566	1.9
108.04478	1.1
109.02125	1.7
109.02861	25.2
109.10135	2.7
111.93768	0.8
115.03899	1.0
117.01806	1.9
119.08575	6.8
121.10134	2.0
123.02930	0.9
126.05506	1.2
127.03902	64.1
128.04276	1.0
129.01799	2.4
133.06357	0.8
133.10139	4.0
137.05870	1.9
145.04948	29.1
147.02858	2.6
147.04051	0.9
156.02921	1.4
159.02876	13.4
161.13245	11.6
163.03838	2.1
163.14841	1.2
165.09109	0.9
174.04036	1.1
177.05319	1.1
189.03990	4.0
199.20343	0.9
201.05446	1.7
213.03835	1.9
231.04953	16.9
235.07401	1.1
249.06041	3.8
268.97903	1.0
277.08551	1.0
285.00922	1.0
308.18634	1.5
314.03131	1.0
336.18002	22.0
336.22015	1.2
354.19034	4.4
354.23413	1.5
355.02597	1.9
355.07431	1.4
355.11542	1.3
355.17294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.5
56.18290	2.4
57.03439	4.8
57.07058	6.2
63.94837	2.6
65.03926	2.8
65.16147	2.4
67.05496	100.0
69.07057	13.1
69.38680	3.6
69.39076	20.1
71.08646	3.2
72.33215	2.4
79.05482	54.8
81.07048	91.8
83.08595	7.8
85.06529	2.8
91.05479	27.6
93.07037	62.4
95.04984	5.1
95.08591	69.5
97.06561	3.4
97.10162	3.0
105.07015	18.4
107.08579	48.7
109.06487	3.1
109.10146	35.8
117.06988	11.8
119.08552	16.1
121.10116	33.7
123.11688	20.8
125.09703	2.5
131.08543	25.4
132.43535	2.4
133.10121	16.6
135.11671	27.2
137.13268	8.0
137.15202	2.4
145.10139	15.8
147.11679	11.3
149.13231	22.8
152.75644	2.8
159.11684	13.1
161.13264	7.4
163.14783	12.0
168.87027	2.5
173.13214	16.9
175.14838	3.6
177.16393	3.6
187.14821	11.1
201.16359	4.9
205.42509	2.5
233.22716	4.0
243.21016	20.4
261.22122	86.9
262.22577	2.9
335.25787	9.7
353.26801	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05510	17.3
56.48923	2.5
57.03425	5.0
57.07055	4.2
67.05500	90.6
69.07051	11.3
69.65590	4.5
69.66006	12.6
79.05485	35.8
81.07050	100.0
83.08595	5.9
85.06538	3.5
91.05486	17.8
93.07028	44.7
95.08599	66.4
97.06551	3.0
98.20784	3.3
103.15832	3.0
105.07034	16.3
107.08591	36.7
109.10141	28.0
117.06994	5.2
119.08563	13.4
121.09264	3.6
121.10113	27.9
123.11694	17.5
131.08553	17.8
133.10106	11.3
135.11691	20.3
137.13255	6.7
137.28935	3.1
145.10100	14.4
147.11635	7.7
149.13234	20.0
159.11665	13.4
161.13226	4.4
163.14813	10.1
169.48209	2.7
170.67848	2.8
173.13287	13.0
175.14726	4.0
177.16273	3.1
187.14897	6.6
219.70273	2.9
233.22643	3.8
243.21094	15.9
261.22098	62.1
279.23203	6.0
308.00330	2.9
322.38229	2.7
335.25757	8.2
353.26730	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	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.05503	13.4
57.03424	5.2
57.07059	4.0
58.96412	1.0
65.03922	3.0
67.05494	83.0
67.33856	0.9
69.07050	11.3
70.07357	0.8
70.30954	1.0
71.04972	4.2
72.02963	1.0
75.04462	2.2
79.05482	47.8
81.07043	88.0
83.08600	7.6
85.06544	2.4
91.05467	23.0
93.07031	58.3
95.04939	3.5
95.08592	63.6
97.06537	2.3
97.10143	4.1
98.20705	1.4
99.08107	1.7
101.00185	0.9
105.07009	16.1
107.08576	35.5
109.06514	1.0
109.10143	31.6
111.08071	2.6
113.09533	1.0
117.06998	10.1
119.08562	15.8
121.10123	25.5
123.08140	1.0
123.11684	15.4
124.00914	0.9
131.08546	19.3
133.10120	14.0
135.10689	1.9
135.11676	25.7
137.09613	1.3
137.13196	5.9
139.11140	1.6
145.10104	17.2
147.11656	11.4
149.12059	1.2
149.13246	20.9
151.11115	1.1
151.14757	1.8
151.20178	1.0
159.11674	13.1
161.13210	8.8
162.13628	1.1
163.14786	10.3
173.13242	16.2
175.14821	3.5
177.16449	4.4
179.14232	2.1
187.14799	11.5
191.14290	2.0
201.16345	4.0
205.15872	1.2
215.17915	1.2
233.22626	5.0
243.21048	22.6
243.23395	1.7
261.22098	100.0
262.22409	3.9
279.23206	3.3
335.25748	6.5
353.26837	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78889	1.5
53.03936	3.1
55.05503	14.5
57.03427	5.0
57.07073	4.6
65.03936	3.4
67.05500	97.0
69.07059	15.8
70.11260	1.5
70.36198	5.1
70.36568	2.6
71.04974	3.1
71.08625	1.9
79.05484	47.1
81.07050	99.2
83.08620	9.8
85.06554	3.2
85.07114	1.4
91.05472	24.0
93.07034	65.6
95.04984	2.7
95.08602	71.0
97.06535	1.7
97.10152	4.7
99.08076	2.1
105.07024	18.6
107.08591	37.7
109.06528	1.9
109.10148	34.9
110.69255	1.5
111.08128	2.3
117.07014	7.8
119.08556	18.0
121.10133	36.1
121.10937	2.9
123.11696	21.5
131.08557	23.0
131.65370	1.8
133.10127	14.5
135.11678	25.9
137.13251	7.2
145.10120	14.7
147.11679	11.4
149.13234	20.5
151.14836	3.5
159.11705	18.8
161.13226	9.4
163.14807	7.8
165.12773	2.2
173.13248	16.4
175.14853	4.1
177.16360	4.3
179.03351	4.8
179.14252	2.5
187.14847	10.3
191.14235	1.7
197.04495	1.9
201.16431	2.3
215.18030	1.8
233.22569	2.7
243.21048	24.8
261.22116	100.0
262.22546	2.8
263.24020	1.8
279.23206	5.6
297.07544	18.7
298.07825	3.8
310.50815	1.7
335.25745	5.7
353.26874	28.0
362.59442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.0
55.05504	13.5
57.03426	7.1
57.07063	4.8
65.03919	2.6
67.05496	97.8
69.07063	12.3
69.23299	12.6
71.05007	2.3
71.08608	2.0
75.04462	1.8
79.05487	42.0
81.07046	100.0
82.07363	1.4
83.04987	1.2
83.08612	6.6
85.06544	1.8
91.05465	19.4
93.07030	52.5
95.04942	3.2
95.08598	74.8
97.06517	2.2
97.10164	2.2
99.08096	2.3
105.07021	18.0
107.08578	32.2
109.06564	1.4
109.10139	33.6
111.08074	1.7
115.05399	1.2
117.07022	7.9
117.53684	1.1
119.08569	13.6
121.10123	25.7
123.11680	16.7
125.09652	1.9
131.08551	16.4
133.10110	12.3
135.11671	24.2
137.09625	2.0
137.13232	6.8
141.80476	1.1
145.10126	13.5
147.11693	9.2
149.13257	13.5
151.14807	1.7
156.19917	1.2
159.11688	11.2
161.13237	9.4
163.14818	10.5
173.13235	12.5
175.14847	2.3
177.12791	1.6
177.16318	1.3
187.14793	6.2
201.16374	1.5
215.17943	2.4
233.22745	2.0
243.21083	17.4
261.22101	65.3
279.23209	6.2
335.25790	7.7
353.26837	18.9
371.70062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	4.0
55.05505	16.0
57.03433	6.6
57.07064	5.2
59.04983	1.9
65.03939	2.8
67.05496	93.6
68.05818	1.8
69.07058	13.5
69.78008	8.6
71.05011	2.4
71.08619	3.0
75.04462	1.3
79.05482	49.7
80.05828	1.6
81.07047	100.0
82.07372	2.0
83.08599	8.4
85.06512	1.4
85.10197	2.3
91.05470	25.8
92.05827	1.2
93.07034	66.2
94.07371	2.1
95.04964	3.2
95.08595	69.4
96.08913	2.5
97.06511	4.4
97.10156	5.0
98.21397	2.4
99.08077	4.9
105.07020	20.3
107.08582	38.6
107.09312	2.3
109.06519	3.8
109.10148	30.6
111.08054	1.9
113.09595	1.9
117.07008	8.7
119.08583	13.1
121.10134	32.2
122.10490	2.4
123.08065	1.9
123.11673	13.4
125.09639	2.0
131.08543	23.0
133.10089	13.0
135.08095	1.4
135.11674	25.9
137.09590	2.0
137.13271	6.8
139.11221	2.0
145.10097	15.3
147.11646	12.6
149.13261	20.8
151.11180	1.7
151.14816	2.0
153.12686	2.5
159.11688	13.4
160.11946	1.3
161.13293	11.6
163.11168	2.3
163.14793	17.0
165.12827	2.8
173.13226	14.1
175.14838	4.4
177.12682	2.1
177.16368	6.1
187.14792	12.8
201.16356	3.5
233.22630	5.9
243.21059	30.6
261.22107	75.4
262.22476	2.6
265.18567	1.2
276.00198	1.5
279.23090	3.1
335.25772	11.3
350.55582	1.3
353.26834	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.17872	2.0
55.05511	13.5
56.62217	2.2
57.03429	5.8
57.07072	3.3
58.30624	2.1
65.03912	2.4
67.05501	98.2
69.07061	11.0
69.79308	10.4
71.04976	3.8
79.05493	36.4
81.07050	100.0
81.07533	4.9
83.08602	6.8
91.05468	25.2
93.07043	53.2
95.08605	72.8
97.10138	4.2
105.07021	15.4
107.08582	32.6
109.10145	38.1
117.07028	12.0
119.08583	14.0
121.10136	26.5
123.11698	24.0
131.08563	18.2
133.10127	10.7
135.11679	22.6
137.13269	9.9
145.10092	11.7
147.11684	10.9
149.13245	21.0
157.00571	2.2
158.63541	2.0
159.11649	14.5
161.13274	10.0
163.14835	10.3
165.01875	2.3
168.96413	2.1
173.13289	13.5
175.14917	3.8
177.16377	4.4
187.14839	9.8
233.22704	4.3
233.63959	2.0
243.21083	21.2
261.22119	89.5
279.23105	7.6
299.05420	2.3
335.25839	12.4
353.10144	10.9
353.26819	19.0
354.10406	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01860	2.0
55.05509	19.4
57.03434	7.8
57.07074	5.3
59.92405	1.0
65.03935	3.8
67.05498	100.0
69.07059	15.8
69.18602	12.0
71.04973	3.0
71.08616	4.4
79.05487	46.3
81.07048	100.0
82.07402	1.4
83.04958	1.3
83.08604	7.6
85.06525	3.2
85.10139	1.2
91.05465	23.2
93.07036	59.1
94.07356	1.7
95.04967	3.2
95.08598	72.1
96.08926	1.4
97.06523	3.8
97.10162	3.6
99.08056	3.7
104.86482	0.9
105.04514	1.4
105.07018	19.0
107.08582	31.5
109.06529	1.3
109.10145	33.0
111.08061	1.4
113.09624	1.5
117.07004	9.0
119.08571	13.0
120.08899	1.3
121.10133	28.5
122.10445	1.1
123.08064	2.4
123.11694	17.8
125.09621	3.1
129.07011	1.1
131.08546	18.4
133.10110	12.9
135.11679	27.7
137.13243	7.6
145.10104	12.4
147.11694	9.6
149.09543	1.1
149.13245	17.6
151.11180	1.9
151.14838	2.2
153.12767	1.6
159.11656	12.5
161.13266	8.2
163.11069	1.3
163.14801	12.4
165.12817	1.9
171.11714	1.6
173.13237	13.5
175.14732	2.1
177.12807	1.7
177.16426	3.5
179.03456	1.1
187.14774	8.6
191.06969	1.3
191.14310	1.4
196.97009	1.0
201.16429	3.6
205.15765	2.0
215.18013	1.4
233.22624	3.8
235.14621	1.1
243.21091	18.9
244.21346	1.4
261.22104	72.2
262.22440	2.6
279.23196	7.4
289.08725	1.4
290.08862	1.2
297.07526	3.1
298.02438	1.1
306.08524	1.3
309.11224	1.3
321.11215	3.6
322.11343	1.3
335.25824	8.2
353.10025	3.3
353.13809	2.5
353.26947	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05515	20.3
57.07064	11.7
60.61887	3.7
67.05499	82.4
69.07053	15.4
70.77982	11.3
77.74403	3.6
79.05492	44.1
79.69682	4.3
80.36102	3.4
81.07044	100.0
83.08610	12.0
83.66912	3.6
91.05490	19.9
93.07041	58.1
95.08598	75.7
95.09179	7.8
105.07017	18.1
107.08586	44.0
109.10134	33.3
117.07005	11.5
119.08564	12.8
121.10146	25.8
123.11703	21.3
131.08575	24.0
133.10136	13.0
134.85106	3.7
135.11707	28.2
145.10086	14.2
147.11703	19.8
149.13295	21.1
159.11688	14.4
161.13278	7.5
161.65373	4.6
163.14774	10.3
173.13284	15.8
187.14816	8.4
202.04971	3.7
233.22530	4.4
243.21117	22.9
261.22104	88.7
279.23074	4.9
335.25766	11.1
353.21091	12.1
353.26675	26.8
360.79623	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2321
Annotation	Thromboxane A2
Peak:m/z	Relative Intensity
51.43134	1.8
53.03945	2.7
55.01855	5.9
55.05506	21.4
56.96564	2.4
57.03419	3.2
57.07073	4.3
59.04982	1.7
60.50531	1.7
65.03931	2.8
67.05499	51.1
69.03419	17.5
69.07059	26.4
69.70458	1.5
70.06595	4.6
71.04979	7.1
71.08614	1.6
71.52271	2.5
71.52657	2.2
72.08138	1.8
73.02930	2.4
79.05488	42.0
81.03413	6.7
81.07052	100.0
82.07382	2.2
83.04980	10.2
83.08607	5.6
84.08117	3.0
85.02895	15.8
86.09715	3.9
87.00848	3.6
89.93385	1.9
91.05474	24.8
93.07047	33.3
95.04951	13.8
95.08593	30.0
97.02895	8.9
97.06522	28.3
97.10156	19.5
99.04451	6.3
99.08077	8.0
100.11273	2.0
100.22982	2.0
105.01864	6.1
105.07015	30.4
107.04945	8.0
107.08583	90.8
109.02859	2.6
109.06503	14.0
109.10146	93.2
111.04436	4.8
111.08067	5.7
113.05982	2.2
117.07006	11.5
119.08575	26.2
120.08125	3.9
121.06490	5.0
121.10155	15.3
123.04393	3.0
123.08052	5.9
123.11686	11.0
125.09612	35.9
127.03880	9.3
127.07535	1.8
131.08546	7.1
133.06453	2.1
133.10107	11.5
135.08044	43.4
135.11661	7.0
137.05952	2.1
137.09627	8.9
137.13228	12.5
139.11192	27.8
143.08612	4.1
145.04930	3.2
145.10086	10.1
147.04355	2.8
147.08029	3.2
147.11684	7.4
149.07497	1.9
149.13242	3.9
151.07518	5.8
151.11200	3.2
153.09106	17.4
153.12718	28.5
157.10162	3.4
159.08063	2.1
159.11584	2.0
161.09601	2.4
161.13208	12.5
163.07513	12.7
163.11180	2.6
163.14807	2.4
165.09096	6.0
165.12776	5.1
167.07091	3.0
169.08630	2.1
171.10161	11.1
171.11555	3.5
173.09500	2.0
173.13274	2.9
177.05554	2.7
179.10771	2.7
181.08585	8.6
181.12209	3.0
183.10123	3.9
187.14920	2.4
191.10582	2.2
191.14313	3.2
197.13385	2.8
199.09618	29.2
232.09233	1.8
233.10005	2.1
289.08817	1.9
289.21335	2.4
299.20050	1.8
306.68884	2.1
307.22501	2.1
308.18353	2.9
310.08633	3.0
317.21069	7.6
321.07593	2.1
323.09433	2.6
335.08701	1.9
335.22083	32.7
336.18121	16.1
337.23108	1.8
338.07889	1.9
353.06461	5.3
353.10168	5.0
353.13919	4.7
353.23166	35.8
354.18994	5.0
354.23352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01852	1.0
55.05497	3.8
57.03414	1.9
57.07055	0.7
59.04974	0.5
59.42313	0.5
61.02916	1.0
62.88396	0.6
66.75332	0.5
67.05496	3.0
69.03034	0.9
69.03420	16.3
69.07060	14.8
70.06559	1.5
71.04971	1.5
72.08129	0.8
72.72720	0.5
73.01123	0.5
73.02906	1.0
77.03886	0.6
79.05467	2.6
81.03407	3.2
81.07043	4.9
82.50447	0.6
83.04974	3.1
83.08611	3.9
84.04478	2.2
84.08121	1.3
85.02898	12.4
85.06534	1.3
86.09695	1.6
87.04456	0.9
90.52573	0.6
91.05482	3.3
93.07015	4.3
95.04970	0.7
95.08591	5.7
97.02878	2.7
97.06516	1.9
99.04452	1.2
101.02400	0.7
101.09659	0.6
105.07037	4.0
105.54276	0.6
107.04936	0.9
107.08575	9.1
109.02861	1.2
109.06507	3.1
109.10137	1.2
110.31713	0.5
111.04411	0.9
111.08069	5.2
117.06986	1.0
119.08561	5.4
121.06496	2.1
121.10136	6.8
123.04415	1.0
123.07255	0.7
123.08041	4.5
127.03930	4.0
129.05530	0.6
129.10210	0.5
130.04985	0.7
131.08546	7.2
133.02792	0.9
133.10129	6.3
135.07005	0.8
135.08037	14.5
135.09015	1.1
135.11681	2.1
137.09584	1.0
138.77946	0.5
143.08505	1.5
144.09335	0.7
145.04936	0.7
145.10117	2.7
147.11694	2.4
149.09615	5.8
149.13220	2.8
151.03885	0.6
158.10880	3.2
163.03860	0.7
163.14813	3.3
172.69438	0.5
173.13242	16.1
175.14767	0.7
179.03397	1.6
185.21104	0.5
190.03853	0.5
191.03461	0.8
191.14287	100.0
192.14545	2.6
207.06485	1.6
207.08315	0.9
209.15376	0.7
353.06406	3.6
353.19586	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	353.1379
Annotation	Neorautane
Peak:m/z	Relative Intensity
53.03922	0.2
55.01863	0.4
55.05500	0.3
57.07056	0.4
67.05500	3.3
69.07036	0.6
69.87672	1.3
79.05494	1.2
80.19031	0.2
81.07052	2.5
83.01331	1.7
85.31414	0.2
91.05463	1.0
93.07038	1.5
95.04958	0.6
95.08578	1.6
98.21420	0.4
98.48843	0.2
105.07004	0.6
107.08576	0.8
109.10121	0.9
110.01558	0.2
119.04931	1.7
119.08559	0.5
119.15028	0.2
121.02864	3.5
121.10111	0.9
123.00768	0.3
123.04411	0.3
123.11629	0.4
131.08582	0.6
133.10172	0.4
135.11678	0.9
137.02325	2.3
137.13229	0.3
141.01822	1.7
145.10078	0.5
149.13219	0.4
151.03889	2.7
155.03363	0.7
159.11647	0.3
163.14822	0.6
169.04938	0.4
173.13234	0.4
177.05359	0.2
179.03368	23.2
180.03688	0.3
197.04439	6.6
241.05186	0.2
243.21123	0.4
261.22086	2.3
262.14575	0.2
269.08020	0.5
297.07535	100.0
298.07855	2.6
335.25555	0.4
353.10358	0.3
353.13763	6.8
353.26831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01848	1.6
57.03421	4.6
57.07073	90.7
57.76032	1.7
58.07415	1.6
58.67066	1.4
61.63832	1.9
69.03377	1.9
69.85878	3.6
69.86285	8.8
70.06573	4.1
71.04977	1.8
72.08144	2.3
79.05493	2.9
79.37471	1.5
81.03420	2.8
81.07048	3.3
84.08138	2.4
85.02895	9.5
85.06536	67.3
86.06909	1.9
86.09712	2.6
90.36091	1.8
95.01324	6.4
95.04918	3.0
95.08598	2.2
103.07574	6.1
109.02845	2.2
113.02343	3.8
119.08569	1.9
120.08086	2.7
123.04428	2.1
125.05939	1.7
129.10248	2.3
131.03375	2.5
135.04395	4.0
137.02325	5.4
141.01834	14.3
143.05736	1.7
145.02823	3.0
153.01823	2.1
159.02905	1.9
159.10159	100.0
160.10490	4.7
161.02397	2.3
163.03867	9.5
175.03922	2.4
177.05484	6.8
177.11200	26.9
179.03351	1.8
191.03365	7.5
191.14326	2.8
217.04936	2.0
219.02924	3.8
221.04503	2.2
253.44432	2.1
278.06100	1.5
283.05936	2.0
295.06058	5.5
297.07608	2.7
307.04730	2.4
324.06354	4.9
325.06982	27.0
335.03912	2.8
338.07602	1.9
353.06543	78.6
354.06985	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
51.71332	0.3
53.03962	0.3
55.05507	0.6
56.96548	0.4
57.07021	0.4
59.29002	0.3
65.03923	0.4
66.89412	0.3
67.05486	1.5
68.99798	2.5
69.10442	0.4
79.05479	1.2
81.03413	0.4
81.07046	2.2
83.04996	0.4
83.08574	0.4
91.05467	1.6
92.99764	2.4
93.07035	1.3
95.04967	0.9
95.08591	1.3
99.22729	0.4
105.03382	1.0
105.07020	1.5
107.04948	1.5
107.08576	0.8
109.06529	1.0
109.10151	0.8
115.05438	0.5
117.07006	0.7
119.04962	0.4
119.08550	0.5
121.02905	0.5
121.10081	0.5
123.04449	1.1
123.08038	0.4
128.06235	0.7
129.06990	0.8
131.08519	0.6
132.68567	0.4
133.02802	0.7
133.06448	0.4
133.10085	0.7
135.04395	1.3
137.02309	1.5
141.01837	0.6
145.06494	0.8
145.10181	0.4
147.04427	0.7
149.02309	0.9
150.03140	0.6
151.03888	1.0
153.06937	0.4
161.02336	4.2
163.03799	0.5
165.01805	1.5
165.06966	0.5
166.34837	0.4
167.03377	1.2
173.05977	0.6
175.07529	0.5
177.01826	2.2
177.05457	0.7
179.03357	1.8
181.06465	0.8
183.02917	1.4
189.01881	0.4
189.05275	0.5
190.02667	0.7
191.03323	0.8
191.07011	0.8
192.52744	0.3
194.02010	0.6
199.07571	0.4
201.05449	1.6
203.03362	1.2
203.06963	0.6
204.04071	0.9
208.03546	0.6
209.06006	0.5
217.04984	2.4
219.06493	3.9
227.07031	0.7
233.09686	0.6
234.06693	0.6
236.08275	0.4
237.05452	0.7
245.04330	0.4
248.00029	0.6
249.05724	0.5
249.08885	0.3
251.06581	0.5
251.10774	0.5
253.05029	0.4
255.06573	2.1
261.09113	1.3
261.21936	0.6
263.02347	1.1
265.04990	1.5
265.08548	0.8
267.01733	1.4
271.05841	0.5
275.70239	0.4
277.04962	0.7
278.05728	0.4
279.10165	1.1
281.03247	2.7
282.08667	0.5
283.06082	2.5
287.05493	0.8
289.03421	7.1
289.08548	1.2
290.03586	0.5
290.09189	0.4
291.09915	0.4
292.07236	1.0
293.04303	0.4
293.07898	0.7
295.05954	0.9
297.07944	0.5
297.11136	1.7
299.05493	5.3
300.05719	0.6
307.09464	2.2
309.07507	0.7
310.04614	0.9
311.05472	4.4
311.09073	1.8
320.06757	0.8
321.07385	0.8
321.11102	1.1
323.05490	1.9
324.06241	1.9
325.02261	1.7
325.06921	1.0
325.10449	2.2
335.09137	3.3
337.07086	1.6
338.07724	5.1
338.11261	0.5
352.28455	0.9
353.10168	100.0
353.28821	2.8
354.10532	4.1
354.61594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
50.24291	0.2
55.01858	0.5
55.05503	0.3
55.53291	0.3
57.03416	0.4
67.05492	1.6
68.99770	0.9
69.03425	0.3
69.07058	0.6
69.39936	0.6
69.40337	1.6
70.06563	0.5
79.05479	0.7
81.03419	0.4
81.07037	1.8
83.04906	0.3
91.05464	0.8
91.55527	0.2
93.07008	0.8
95.04903	0.3
95.08595	1.1
97.06521	0.3
98.20780	0.4
105.07022	1.1
107.04920	0.4
107.08575	0.9
109.06497	0.6
109.10152	0.7
117.06986	0.6
119.08548	0.6
121.02844	0.3
121.06492	0.4
121.10120	0.6
123.08070	0.4
123.11723	0.3
129.06966	0.4
131.08546	0.5
133.06499	0.3
134.03523	0.3
135.04367	1.5
135.08026	0.5
137.02327	3.3
141.01826	0.8
142.63469	0.3
145.06482	1.2
145.10173	0.4
147.04395	0.6
149.02292	0.6
161.02333	2.3
163.03925	0.4
165.01814	4.1
167.03346	1.3
173.06026	0.5
176.04626	0.3
177.01823	0.8
177.12671	0.3
179.03371	0.4
181.04962	0.3
183.02866	2.5
189.01797	0.5
190.02567	0.8
191.03308	0.5
191.07008	0.6
191.14383	0.3
201.05325	1.4
204.04179	0.6
208.03706	0.4
208.12854	0.3
219.06531	1.1
222.05093	0.3
228.11426	0.3
245.04314	0.4
251.06987	0.4
261.09204	0.3
263.07016	0.4
270.05392	0.3
283.05927	2.6
287.05435	1.4
292.07446	0.3
293.08270	0.3
295.05927	1.9
297.03967	0.8
297.07596	1.2
299.05475	13.1
307.09662	0.8
309.07468	0.9
310.04755	0.7
310.08154	0.4
311.05450	7.3
311.09137	1.5
312.05753	0.3
313.07108	0.5
320.06937	0.4
323.05466	5.6
324.06146	3.6
325.06976	2.1
325.10733	1.3
335.09073	6.4
336.09372	0.5
337.07092	4.8
338.07843	6.5
339.07913	0.5
353.10150	100.0
354.10486	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01855	9.1
55.05503	4.2
57.03427	8.8
61.02907	6.6
68.18480	3.7
69.03430	39.3
69.07063	54.2
70.06218	10.4
70.06624	15.5
71.04991	4.2
72.08139	9.7
73.02907	7.6
81.03401	24.1
81.07053	10.9
84.08118	3.9
85.02899	100.0
85.06532	5.6
86.09684	9.3
87.00826	38.1
89.53783	4.1
91.05444	4.6
93.07038	6.8
97.02881	46.7
98.20885	5.3
99.04438	14.0
103.87307	4.0
105.01862	90.2
107.04960	5.0
107.08582	7.0
108.04471	5.1
109.02886	22.0
111.08076	5.3
115.03897	5.5
119.08551	4.5
127.03914	87.4
129.07074	3.8
131.08583	3.7
141.88579	4.3
145.04948	66.6
145.55247	3.9
147.07983	4.7
147.53909	3.8
149.09627	5.0
153.09099	5.3
159.02881	17.7
160.97998	3.7
165.09160	4.4
177.05502	9.3
177.09154	12.6
189.01727	4.2
189.03963	6.0
195.10170	16.7
213.04065	4.4
217.04996	13.9
231.04897	29.6
249.06114	13.2
251.96294	4.1
343.20334	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77096	1.2
61.02911	3.7
68.21431	1.3
68.99785	5.3
70.06564	1.6
70.81358	3.1
70.98742	1.2
72.08158	1.7
79.21004	1.2
83.04996	1.2
84.04466	1.4
84.12608	1.2
87.00814	5.4
91.05479	4.5
94.22840	1.3
95.08619	1.6
96.02087	1.3
97.02898	2.7
103.05432	2.7
105.07013	2.7
107.04897	1.4
111.04420	22.8
115.05444	12.2
116.07118	1.5
117.03343	1.5
119.04923	8.7
129.01825	4.7
129.05435	1.2
131.04915	2.4
133.02823	3.8
133.06438	3.1
134.03592	1.5
137.02322	2.0
137.05960	1.8
139.03888	26.0
140.04651	2.8
142.83983	1.3
143.04883	7.5
147.02826	1.7
147.03294	1.4
147.04407	13.5
149.05965	3.5
151.03889	3.1
153.05444	1.8
159.04460	2.0
160.05183	2.3
161.05939	10.6
162.03058	9.9
163.03938	4.1
164.04726	2.1
165.05397	1.8
167.03395	11.2
171.04405	17.1
175.03891	2.3
175.07547	4.6
177.05447	49.8
178.05904	1.6
179.03389	3.9
179.07033	4.5
185.04150	3.1
188.04655	3.2
189.05515	8.6
191.03299	1.8
191.07002	3.4
199.03870	11.6
203.07010	32.1
205.04900	7.4
206.05704	1.6
207.06505	8.5
217.04938	13.0
218.04758	1.2
219.06454	2.4
221.08060	3.2
231.06473	24.4
249.07553	100.0
250.07938	3.5
267.08685	2.8
273.71539	1.2
293.06769	1.7
293.53543	1.3
307.58170	1.3
315.73660	1.2
324.55142	1.2
353.08456	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	353.1015
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
55.05481	0.5
59.04979	0.4
61.54868	0.2
65.03897	0.2
66.65675	0.2
67.05483	1.0
69.07052	0.3
70.39068	0.2
71.52325	0.2
72.20065	0.2
72.92477	0.2
79.05457	0.7
81.07040	1.0
81.74364	0.2
84.38951	0.2
91.05451	0.6
93.07017	0.7
95.08559	0.7
97.96652	0.2
105.07001	0.4
107.04898	0.5
107.08558	0.5
109.10101	0.3
119.04893	0.7
119.08559	0.2
121.02855	2.8
121.10147	0.2
129.06941	0.2
131.08522	0.3
133.10078	0.2
141.01767	0.5
145.02783	0.3
147.04407	0.2
149.13174	0.2
159.11565	0.3
165.01813	1.8
177.01784	0.9
180.23518	0.2
183.02869	1.5
187.14867	0.2
187.62732	0.2
207.06360	0.3
217.04922	0.4
233.09473	0.2
234.06825	0.3
235.05812	0.5
247.07436	0.2
249.08948	0.2
251.06935	0.3
261.08997	0.2
261.22058	0.3
267.06519	0.7
271.05902	0.4
279.23331	0.2
283.05978	8.1
283.09103	0.5
284.06610	0.5
292.07248	0.5
293.07999	0.4
295.05972	37.2
296.06342	2.0
297.03903	0.4
297.07526	0.5
299.05460	3.4
307.09641	0.7
309.07367	0.3
310.08185	0.3
311.05469	1.2
311.09128	0.5
321.07449	0.7
321.10983	0.3
323.05527	1.5
324.06244	0.8
325.07092	0.4
325.10635	3.1
335.09128	2.9
336.09698	0.4
337.07028	6.0
338.07785	7.6
339.08282	0.4
353.10138	100.0
354.10455	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	352.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.93525	8.2
56.96563	52.2
57.03439	11.3
58.42853	4.5
60.04504	5.7
61.02916	6.9
61.98741	5.4
69.03417	29.7
69.58630	5.3
70.06585	17.7
71.52055	8.8
72.08141	15.0
72.93784	6.4
79.05509	7.2
81.03414	13.7
84.04485	7.7
84.08135	21.2
84.96029	15.2
85.02905	60.0
86.09712	8.4
87.04448	7.1
90.94828	7.1
91.05484	18.7
97.02892	27.4
97.96822	7.0
98.97581	66.8
107.04938	13.1
109.02893	5.4
110.07140	11.6
110.97565	12.3
112.07603	7.4
116.98606	47.6
119.04967	10.5
120.08112	7.7
121.06586	5.6
123.04415	7.9
125.96266	5.2
127.03901	15.0
128.98605	18.7
129.10201	5.8
130.04880	5.9
133.06473	5.1
134.99646	32.9
136.06166	11.9
136.07552	15.9
137.05972	6.5
139.03896	17.0
144.13873	5.8
145.04968	11.9
146.06055	7.7
146.99634	18.4
149.01228	6.6
158.97406	17.3
158.99657	20.2
161.01196	9.1
162.05498	79.0
162.99158	5.0
163.03952	7.8
174.98936	6.3
176.98357	6.4
177.00717	17.0
190.04965	100.0
190.06534	6.6
201.00711	8.2
208.99219	8.1
211.02779	8.0
219.01778	21.7
220.11981	19.2
234.99016	24.5
237.02864	39.8
238.03192	7.7
249.07486	6.5
253.00186	7.0
310.08823	14.7
352.10309	15.2
352.19766	10.1
353.02826	7.5
355.07175	7.1
371.06250	7.9
373.07956	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.3
55.01868	2.6
55.05504	18.7
57.03427	10.4
57.07076	2.2
63.95467	1.3
65.03922	3.0
67.05497	50.0
67.46157	1.3
69.07062	17.1
69.33159	12.0
71.04974	3.6
71.08632	1.3
75.04467	3.4
79.05485	66.8
81.07045	57.3
83.08612	7.7
85.06523	3.6
91.04898	2.9
91.05471	57.7
92.05817	1.3
93.07033	100.0
95.04959	5.5
95.08597	40.8
97.06515	3.4
97.10137	4.0
98.20791	2.2
99.08087	2.5
105.07019	61.1
106.07264	1.3
107.04946	1.7
107.08582	54.6
109.06485	2.2
109.10135	15.7
111.08096	1.9
113.09644	1.4
115.05466	1.8
117.07007	11.8
119.07705	2.7
119.08567	53.0
121.09237	1.7
121.10127	43.2
123.11696	4.3
129.06958	8.8
131.08543	22.9
133.10120	49.2
134.10472	1.6
135.08069	2.5
135.11676	45.9
136.12067	1.4
137.05981	2.6
137.09599	2.2
138.19855	1.2
142.07762	1.6
143.08540	10.8
144.58264	1.1
145.10101	23.2
147.08011	1.6
147.11671	48.8
149.09561	2.9
149.13234	26.7
151.11140	1.9
157.10091	10.0
159.11676	20.3
161.09605	1.5
161.13245	34.0
162.13557	1.5
163.11177	3.2
163.14796	8.3
165.12680	1.9
170.10783	1.4
171.11650	14.5
173.13240	13.6
175.11255	2.9
175.14812	19.7
177.12703	2.8
177.16364	2.2
179.14345	2.1
185.13252	13.6
187.14857	2.0
189.12781	2.5
189.16257	1.4
193.12411	1.3
195.13840	2.4
199.14787	8.0
201.16380	2.4
213.16396	4.5
215.18036	1.7
217.15871	1.5
217.19551	5.0
231.17479	1.7
231.21101	8.0
241.15761	1.6
241.19484	34.8
259.20544	97.8
260.20929	5.9
277.21576	15.9
291.10229	1.3
319.09573	3.0
333.24274	8.6
351.12366	4.5
351.25287	62.1
352.25601	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01857	3.1
55.05509	18.7
57.03419	7.4
67.05499	49.4
68.36751	1.9
69.07057	13.6
70.08912	1.8
70.97042	4.9
71.04995	2.3
72.93588	2.1
79.05487	60.1
81.06595	3.4
81.07049	57.3
83.04956	2.2
83.08602	8.1
85.06481	2.3
91.05468	57.4
93.07033	82.4
94.07322	2.0
95.04959	6.6
95.08598	35.1
97.06505	5.2
97.10157	2.2
99.08068	4.9
103.05438	2.7
104.07399	1.9
105.07017	72.6
107.08580	45.7
109.06489	3.4
109.10149	15.6
113.09610	2.7
117.07030	14.5
119.08572	64.1
121.10136	35.3
123.11676	3.8
129.06993	7.9
131.08534	24.2
133.10110	50.4
135.11671	34.5
143.08557	10.7
145.10101	24.4
147.08070	2.1
147.11673	54.5
149.09610	2.8
149.13251	22.5
157.10104	12.7
159.11690	21.3
161.09665	3.3
161.13251	37.3
163.11142	3.8
163.14803	6.0
165.12604	2.0
168.95189	1.9
171.11667	17.9
173.13234	10.3
175.14836	14.9
185.13223	15.7
187.14824	5.6
199.14836	6.6
213.16318	2.9
221.18024	3.0
231.08005	2.4
231.17479	2.6
231.21028	7.2
241.19492	39.2
242.19745	2.1
259.20547	100.0
260.20837	5.3
261.62277	1.8
273.08963	2.5
277.21533	6.3
290.09372	2.0
291.10172	2.7
319.09506	6.5
320.10147	3.7
327.76361	1.9
333.24164	2.5
351.12241	6.6
351.25226	61.4
352.25531	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01860	3.4
55.05508	19.8
57.03422	11.8
58.11961	2.6
62.16406	2.5
62.43641	2.5
65.03941	3.1
67.05499	53.1
69.07060	19.8
71.04984	5.1
71.33334	7.8
75.04477	3.0
77.32333	2.4
79.05483	68.7
81.07047	65.9
83.08607	10.5
85.06534	4.3
91.05469	50.9
93.07033	100.0
95.04969	5.2
95.08593	45.1
95.11584	3.1
97.06522	5.5
97.10156	5.8
99.08093	4.4
102.27958	2.9
105.07021	54.0
107.08588	64.6
109.06497	5.0
109.10156	17.9
117.07024	12.3
119.08574	50.5
121.10141	51.3
123.08122	2.9
123.11704	5.3
129.07016	7.9
131.08557	23.2
133.10114	43.0
135.11681	51.6
137.05960	10.3
143.08559	12.8
145.10085	20.9
147.11678	48.2
149.09616	3.1
149.13245	31.3
157.10133	7.5
159.11705	18.9
161.13255	32.7
163.11194	3.5
163.14799	10.0
167.10373	2.9
171.11681	13.5
173.13281	9.5
175.14822	14.2
177.12718	4.0
180.20807	3.7
185.13278	11.3
189.12688	3.5
197.98360	2.8
199.14813	7.1
203.14284	3.0
213.16357	5.0
231.17395	4.5
231.21051	4.4
241.19537	31.6
252.54120	3.0
259.20557	97.9
260.20847	3.6
277.18530	3.4
277.21457	15.6
293.65396	2.8
333.24277	11.6
351.21182	4.8
351.25275	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01889	2.2
55.05506	18.9
57.03435	10.7
57.07058	4.6
57.15882	2.4
63.57555	1.9
67.05499	47.5
69.07052	17.9
69.72324	12.2
71.04976	3.7
75.04483	2.6
79.05486	68.5
81.06593	3.8
81.07049	59.0
83.08598	7.8
85.06504	4.0
91.05468	48.1
93.07035	91.2
95.04957	5.2
95.08593	43.6
97.06522	2.6
97.10154	3.0
99.08092	2.9
99.96519	2.1
105.07024	58.5
107.08582	54.3
109.10156	13.6
112.06634	2.3
113.09637	2.7
117.07021	12.4
119.08564	47.5
121.10127	40.0
123.11747	2.8
125.09620	2.8
129.07001	7.0
131.08557	20.5
133.10107	48.7
135.07948	3.1
135.11667	46.0
137.05971	4.8
143.08522	9.2
145.10109	24.4
147.11679	46.2
149.09595	2.8
149.13229	23.9
157.10114	9.6
159.11708	18.5
161.13229	31.8
163.11119	2.7
163.14812	8.4
171.11647	13.2
173.13261	12.5
175.14813	16.6
185.13263	11.9
189.12704	4.1
199.14815	8.5
213.16338	4.0
215.17851	2.3
217.19455	3.7
222.16307	2.0
231.17342	2.4
231.21060	9.1
237.83582	2.6
239.81038	2.2
241.19475	31.4
242.19794	2.7
259.20547	100.0
260.20984	4.3
277.21616	18.4
333.24210	8.8
351.11963	6.8
351.25275	66.2
352.25671	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81073	1.8
52.84741	1.9
53.03932	7.0
55.01870	10.7
55.05506	39.1
57.03433	22.5
57.07053	4.1
59.66617	1.8
61.42611	1.7
64.76876	1.9
65.03938	3.6
65.07378	2.0
67.05501	84.9
69.03431	3.5
69.06733	3.3
69.07068	39.4
70.70657	4.1
71.04979	4.9
71.08291	2.5
71.08629	33.7
74.87420	1.7
79.05487	67.8
80.05822	3.2
81.03400	6.7
81.07048	100.0
83.04967	13.9
83.08613	27.0
85.06502	4.0
88.05122	1.8
91.05481	51.4
91.19492	1.8
91.50640	2.1
93.07034	88.7
95.04970	14.1
95.08602	57.6
97.06510	13.9
97.10151	8.5
99.08084	30.1
104.07896	2.5
105.06327	2.2
105.07025	47.9
107.04948	5.8
107.07886	4.6
107.08587	58.4
109.06515	10.1
109.10146	31.2
111.04442	3.1
111.08075	6.6
117.07027	10.5
119.08566	41.5
121.10131	41.1
123.08037	4.7
123.11688	5.7
125.09582	9.6
129.07007	6.2
131.08575	12.8
133.10124	37.2
135.08037	2.3
135.11681	41.2
136.11942	2.0
137.05966	23.5
137.09596	4.7
141.09113	2.5
143.08554	7.2
145.10126	13.7
147.10548	2.3
147.11684	35.9
149.13251	24.9
151.11118	11.0
153.12634	2.4
157.10115	6.9
159.11708	12.4
161.09583	2.4
161.13235	29.2
163.11174	6.9
163.14793	9.8
165.09105	2.3
165.12804	5.1
171.11671	8.2
173.11783	2.4
173.13228	7.7
175.11162	3.6
175.14789	8.5
177.12711	5.4
178.41707	1.9
179.14288	51.4
182.81360	2.4
185.13260	9.0
187.14828	2.8
189.12729	4.1
189.16441	2.1
199.14729	3.4
203.14322	2.6
203.18013	2.5
213.16269	2.6
217.15909	2.2
217.19437	2.9
231.17395	2.8
231.21049	4.6
235.16991	3.0
241.19463	15.9
259.20544	43.9
277.17996	9.5
277.21597	47.0
278.21939	3.5
333.24200	4.0
351.18515	3.4
351.25253	77.8
352.25656	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	7.7
55.05500	9.7
55.73639	0.9
57.03429	5.2
57.07058	2.9
63.68568	0.9
67.05497	24.1
69.07062	10.0
69.38413	1.0
70.72710	3.0
75.04475	1.0
79.05019	1.1
79.05484	32.8
81.07046	54.3
83.04953	3.6
83.08614	5.7
85.06522	1.9
91.05470	24.7
92.26019	0.9
93.07033	38.5
93.77524	0.9
95.04950	2.9
95.08592	23.1
97.06540	2.3
97.10149	1.7
99.08061	1.4
105.04480	1.1
105.07024	26.2
107.08578	26.2
107.45645	1.1
109.06513	13.8
109.07200	1.9
109.10158	7.4
111.04436	15.6
111.08076	2.0
117.07011	5.7
117.37473	1.2
119.08568	26.9
121.10133	22.2
123.08047	2.5
123.11678	2.2
125.05977	4.0
128.06212	0.9
129.06999	4.2
131.08560	8.9
133.10106	23.5
135.08058	3.0
135.11678	23.8
137.05960	100.0
137.13237	3.3
138.06287	2.7
143.08592	4.8
145.10133	8.2
147.08032	1.6
147.11664	23.4
149.09628	4.4
149.13239	10.9
151.07529	3.4
151.11131	2.0
157.10091	4.2
159.11668	7.7
161.09627	5.3
161.13235	17.4
163.11162	3.5
163.14780	4.1
165.09062	2.4
165.12784	1.0
167.10655	1.2
171.11606	5.4
173.13269	5.1
175.11214	5.5
175.14825	9.4
177.12697	2.1
179.10651	1.9
184.12413	1.1
185.13214	6.3
187.14850	1.6
189.12704	3.0
189.16316	1.1
191.14330	1.2
193.12231	1.2
199.14790	1.8
203.14220	1.4
203.17920	5.9
213.16331	4.6
217.19504	2.8
221.19041	1.9
231.17438	11.4
231.21040	3.6
235.17093	1.1
241.15738	2.0
241.19466	15.1
249.18484	10.3
250.18764	1.3
259.20544	39.2
260.20886	1.6
277.17960	34.5
277.21475	6.4
278.18384	2.1
295.19022	5.9
319.09695	3.7
333.24261	3.0
338.96188	1.0
351.12119	2.7
351.21518	6.1
351.25323	26.2
352.25632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01860	8.6
55.05506	36.6
57.03157	2.7
57.03430	50.7
57.07056	6.0
65.03925	3.9
67.05495	85.4
69.07059	32.4
71.04980	6.6
71.08633	17.5
71.52673	2.1
75.04460	2.4
77.86787	2.0
79.05484	80.9
81.03425	4.4
81.07046	94.7
82.07397	2.3
83.04974	6.4
83.08607	17.9
84.77259	2.0
85.06527	8.1
91.05472	59.2
93.07032	100.0
95.04979	12.9
95.08599	69.5
97.06514	7.6
97.10155	7.9
99.08088	21.1
105.07013	56.9
107.04955	2.6
107.08578	61.5
109.06484	10.0
109.10146	26.6
111.08068	9.6
111.11684	2.2
113.09663	2.1
117.05479	3.6
117.07000	14.3
119.08564	52.7
119.09377	3.9
121.06486	2.4
121.10123	46.3
123.08072	5.9
123.11691	8.3
124.04499	2.1
124.54654	1.9
125.09608	6.0
129.06975	6.9
131.08574	21.9
133.10115	37.4
135.08080	5.4
135.11673	41.4
137.09590	5.3
137.13252	3.6
139.11148	3.0
143.08557	8.6
145.10104	28.4
147.11658	35.6
149.09554	4.3
149.13239	22.4
151.11159	13.5
155.08495	2.0
157.10123	7.3
159.11684	17.7
161.09706	2.9
161.13225	27.5
163.11145	9.0
163.14833	10.1
165.12753	6.0
171.11632	9.6
173.13277	10.4
175.11107	2.4
175.14809	12.2
177.12682	2.4
179.14310	3.9
185.13280	9.7
187.14818	12.6
189.12709	2.9
195.75383	2.2
199.14812	4.8
203.14322	2.7
203.17972	2.6
205.15878	5.9
213.16417	3.6
217.15884	2.9
219.08051	2.4
221.18947	4.9
231.06430	3.0
231.21107	5.0
241.19543	21.3
259.20544	60.5
260.20663	2.4
276.07953	3.0
277.21597	36.7
290.09308	2.5
291.10144	2.3
319.09583	7.5
327.41751	2.2
333.24261	4.5
351.08502	2.8
351.12256	15.4
351.25284	83.6
352.12466	2.2
352.25665	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79830	2.3
53.03933	6.3
55.01865	3.6
55.05507	21.3
55.75768	2.0
57.03432	12.7
57.07053	5.1
67.05499	52.8
69.07054	16.8
70.97013	3.5
70.97340	3.1
71.04980	5.1
76.96413	2.3
79.05486	84.7
81.07050	72.3
83.08601	6.7
85.06535	6.0
91.05474	65.5
92.05746	2.9
93.07037	98.5
94.07359	3.0
95.04948	8.5
95.08599	47.4
97.06490	5.9
97.10163	2.3
99.08051	5.3
105.07021	59.7
107.08585	52.7
109.06511	6.3
109.10162	15.8
111.04432	4.9
111.08038	2.7
113.09601	3.3
117.07040	12.2
117.07751	2.4
119.08567	65.1
120.08897	2.7
121.10131	42.8
123.07995	3.5
123.11693	4.8
125.09611	2.5
128.16789	1.9
129.06992	9.2
131.08557	22.9
133.10112	55.4
135.08064	3.7
135.11684	53.8
137.05957	32.2
137.09593	5.0
143.08528	9.4
143.83257	2.0
145.10117	24.5
146.10507	2.2
147.04364	2.2
147.08037	2.9
147.11671	55.7
148.11952	3.0
149.09628	5.4
149.13239	29.4
157.10133	11.8
159.11646	23.2
161.09615	6.0
161.13237	44.3
163.11185	5.9
163.14819	10.1
171.11710	15.7
173.13269	14.1
175.11200	5.6
175.14810	25.9
177.12787	4.2
185.13252	16.5
187.14792	3.5
189.12750	5.1
191.08669	2.4
193.12103	2.6
199.14764	10.4
201.16330	3.3
202.07845	3.7
203.14287	3.1
203.17906	3.5
213.16420	5.8
217.19472	5.9
219.07994	3.1
220.76299	2.1
231.08043	8.1
231.17421	6.9
231.21028	11.5
241.19484	44.4
247.07516	5.2
248.08243	2.2
258.06781	2.7
259.07568	3.2
259.20554	100.0
260.20950	7.7
271.20392	2.2
273.09094	5.8
275.07095	3.2
276.07755	5.8
277.08551	2.9
277.17990	9.1
277.21649	18.4
278.18591	2.6
289.08459	4.2
290.09250	4.8
291.10239	7.5
293.08124	2.3
295.19064	2.4
304.07315	7.7
305.07849	4.2
319.09622	41.1
320.10278	9.1
333.24332	11.8
351.12167	20.1
351.21661	2.9
351.25287	71.2
352.12622	2.9
352.25375	3.4
369.15244	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	351.1221
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
55.05504	0.6
57.03426	0.5
60.65818	0.2
65.03924	0.5
67.05494	2.0
68.99769	0.3
69.07069	0.5
69.57629	0.2
71.46582	0.2
71.52812	0.5
75.22121	0.3
79.05502	1.3
81.03410	0.3
81.07056	1.9
83.01325	1.2
91.05481	1.9
93.07033	1.5
95.04996	0.4
95.08591	1.0
103.27759	0.3
105.06986	1.3
107.04989	0.3
107.08583	1.2
109.06507	0.5
109.10145	0.4
119.04935	1.3
119.08590	1.3
121.02854	2.6
121.06443	0.3
121.10095	0.6
123.11625	0.3
128.06203	0.6
131.04904	0.3
131.08557	0.7
133.10121	0.7
134.74014	0.3
135.04390	0.5
135.11662	0.8
145.02821	1.9
145.10089	0.4
147.11644	0.7
149.13206	0.3
159.08038	0.8
161.13251	0.6
163.03879	0.8
177.05464	0.5
179.03380	2.9
181.04860	1.7
185.13289	0.4
187.07487	0.6
190.02649	0.3
191.03453	0.6
191.07083	0.3
197.04327	1.3
200.04579	0.5
203.03331	0.6
204.04123	0.6
215.07011	0.8
218.05759	1.0
233.08058	1.1
243.06596	0.6
259.20581	0.9
268.07278	0.4
269.08194	0.5
271.05969	0.3
281.08014	3.5
284.06842	0.5
285.07535	1.2
289.08405	0.3
290.09393	0.4
293.08099	2.8
295.09683	1.0
297.07547	10.6
307.06058	0.6
307.09467	0.6
308.06595	1.4
309.07523	6.7
309.11127	1.9
310.08029	0.4
311.09198	0.4
318.08780	1.8
319.09216	0.3
321.07526	8.2
322.08350	5.4
323.08942	1.8
323.12729	1.4
333.11130	5.6
335.09085	3.5
336.09863	7.8
337.10297	0.4
351.12219	100.0
352.12573	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	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.01103	0.4
53.03931	0.4
55.01869	0.6
55.05486	1.5
56.05010	0.5
57.03425	0.9
60.04507	0.7
67.05502	2.9
68.14995	0.5
69.07050	1.5
69.95583	2.4
70.06543	0.5
71.04983	0.5
71.08614	0.4
71.48519	0.4
77.00909	0.6
77.94220	0.4
79.05476	2.7
80.98466	0.5
81.03412	1.1
81.07061	3.6
82.07397	0.4
83.04988	0.6
83.08609	0.5
84.08115	0.6
85.02856	0.4
91.05481	2.7
93.07027	2.6
95.01914	0.5
95.04965	1.0
95.08598	1.9
97.02876	0.6
97.10171	0.6
105.07018	2.5
107.08576	1.8
109.06490	0.9
109.10139	1.4
111.08060	0.8
119.04923	0.7
119.08558	1.8
121.10117	1.2
131.08540	0.5
133.10136	1.9
135.11656	0.9
137.05960	1.2
140.84070	0.4
142.46385	0.5
145.10156	1.0
147.04416	2.1
147.11743	0.8
149.13307	0.6
154.59729	0.4
159.11717	0.5
161.09599	0.5
161.13268	0.5
163.11180	1.1
175.03885	0.6
177.12711	1.0
180.13800	1.0
202.37383	0.4
207.06564	0.7
208.06805	0.6
215.11313	1.4
232.67444	0.5
233.12344	0.9
243.14352	1.3
246.12144	1.3
247.07828	0.5
253.12704	2.4
259.20563	0.7
271.13901	2.2
275.20038	0.6
276.07892	0.7
277.21613	1.5
291.10245	0.8
315.18155	0.6
319.09650	1.5
333.19147	3.0
351.12683	2.1
351.21375	100.0
352.21597	2.6
352.25339	0.9
369.21185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82162	0.7
53.32248	0.7
56.96558	22.8
57.03425	1.1
60.56208	0.7
61.02921	1.2
69.03425	4.3
70.06577	3.0
70.53797	1.7
70.54143	1.1
71.95289	0.8
72.08150	1.4
78.23278	0.8
80.71185	0.8
81.03432	1.1
84.04504	0.9
84.08114	5.0
84.96028	4.9
85.02901	6.1
86.09683	1.8
91.05443	1.0
96.40226	0.7
97.02872	3.0
98.97573	100.0
102.96984	1.0
107.04947	1.4
109.02850	1.0
110.07174	1.1
110.97531	6.9
112.99139	1.2
116.98610	71.5
119.01923	1.5
120.08085	2.8
127.03938	2.8
128.98578	10.6
129.02309	0.9
129.10219	2.6
130.08733	1.0
131.00140	2.2
134.99638	32.7
136.06140	2.1
137.05936	1.3
139.03906	1.3
140.00174	2.1
140.98587	0.9
143.00154	1.8
144.98088	0.8
145.01659	2.2
145.02708	1.3
146.99643	9.6
147.03288	2.9
147.11380	1.1
149.01199	1.8
152.98546	0.9
153.00694	2.6
158.01228	1.7
158.99644	32.8
161.01219	3.6
162.05496	1.0
162.99106	2.5
163.02733	3.0
163.03885	1.9
165.00716	1.5
165.04330	2.9
166.05061	1.0
170.99612	4.8
171.03308	2.0
177.00697	48.7
179.02330	0.9
189.00671	5.4
189.04315	14.2
195.01791	5.5
200.02312	3.1
201.00723	1.8
201.04329	1.0
207.01772	1.4
207.05336	4.0
213.00491	0.8
219.01755	11.9
231.03424	2.1
231.05405	2.1
237.02797	27.9
249.06544	1.6
252.06050	0.9
255.03804	2.8
291.07428	24.0
309.08527	85.0
310.08862	3.5
323.09616	0.9
332.10156	5.4
351.09619	33.5
373.07977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01866	2.4
55.05500	24.4
57.03421	7.4
57.07063	3.7
67.05494	56.4
67.05847	5.1
69.07050	20.9
69.44665	18.1
71.04962	5.2
71.08593	3.3
75.04465	3.9
77.03898	3.2
79.05482	71.7
81.03387	2.9
81.06593	4.1
81.07047	56.7
83.04957	4.3
83.08591	11.8
85.06519	4.0
89.16304	2.4
91.05467	55.9
93.07029	88.8
95.04949	7.4
95.08595	39.4
97.06560	2.7
97.10136	7.7
98.20793	5.1
99.08079	3.4
105.07017	59.9
107.08584	55.9
109.06534	3.2
109.10142	14.7
111.08073	2.9
113.09636	3.7
117.06996	11.0
119.08572	49.0
121.10136	51.0
123.11700	5.0
129.06967	8.3
131.08546	21.6
133.10110	43.1
135.11674	48.1
137.05945	2.9
143.08525	9.2
145.10104	20.6
147.11665	46.1
149.09639	2.6
149.13229	29.4
151.11142	4.0
157.10091	9.0
159.11679	20.3
161.13242	47.3
163.11169	5.6
163.14816	10.3
171.11694	13.7
173.13205	15.9
175.11142	4.4
175.14799	20.6
177.12715	4.3
179.14322	3.2
185.13295	12.6
185.14684	2.0
187.14725	3.3
191.14310	2.7
199.14803	9.1
213.16324	3.4
217.19460	5.2
231.17363	5.9
231.21039	10.6
241.19496	43.3
242.19882	2.8
259.20541	100.0
260.20850	7.9
275.07156	2.6
277.18137	4.3
277.21555	20.0
319.09741	2.7
333.24026	10.3
351.12061	7.5
351.25214	72.5
352.25375	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	0.9
55.05506	6.0
57.07061	1.7
59.34636	0.4
67.05494	4.8
69.07060	10.5
69.23933	4.6
70.20668	0.4
71.04982	1.6
71.08637	0.9
72.08972	0.4
73.06543	1.0
74.92083	0.4
77.65833	0.4
79.05474	3.7
79.23098	0.4
81.06595	0.7
81.07050	8.2
83.04967	0.8
83.08610	3.5
85.06531	0.6
91.05476	2.9
93.07037	5.0
95.08595	6.6
97.06509	1.9
97.10139	1.0
99.26370	0.4
105.07011	3.0
107.08578	6.0
107.38949	0.4
109.06505	10.4
109.10139	4.0
111.08065	2.8
117.07040	0.5
119.08566	2.9
119.94340	0.4
121.06463	1.0
121.10132	4.4
122.07229	0.8
123.08053	62.7
123.11681	1.5
124.08398	1.5
131.08542	0.7
133.10139	2.7
135.08044	5.2
135.11667	1.6
137.09593	3.0
137.13258	0.6
145.10109	1.4
147.11679	2.2
149.09624	1.3
149.13245	2.2
159.11676	1.2
161.13251	1.3
163.11218	0.6
177.12808	0.9
179.14302	9.7
224.08798	0.4
231.15776	0.5
233.18980	0.8
266.09518	0.5
275.19995	2.0
289.25336	1.1
293.21078	16.4
294.21408	1.1
307.22635	1.1
331.26184	3.7
349.27332	100.0
350.27701	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	350.1342
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03933	1.1
55.01873	1.2
57.03436	2.3
59.04976	0.5
59.75295	0.2
60.04271	0.2
60.04518	2.6
61.02921	2.0
67.05483	0.7
69.03419	7.7
69.07037	0.3
69.72084	1.5
69.84560	0.2
70.03751	0.2
71.01336	1.0
71.04987	2.3
73.02885	1.0
79.05471	0.6
81.03402	1.3
81.07037	0.8
82.15493	0.2
87.04439	0.2
91.05439	1.1
93.07044	0.5
95.08599	0.4
97.02864	0.3
99.04443	2.0
105.07001	0.7
106.06548	0.2
116.04959	0.6
117.05531	0.7
118.06526	4.3
119.65273	0.2
120.08092	0.6
123.11558	0.2
126.44837	0.2
132.06725	0.3
132.08063	1.1
140.91501	0.2
145.07587	15.2
146.08295	0.7
147.09151	20.7
148.09477	0.5
153.13950	0.2
157.07619	1.0
159.09158	9.5
160.09894	1.2
161.10710	0.8
170.08318	0.3
171.09218	0.4
173.07034	1.5
173.10817	1.1
175.08601	1.5
182.08380	0.4
183.09164	0.3
184.09923	0.8
185.10733	3.4
186.11462	0.5
187.08682	1.2
187.12195	1.4
189.10153	1.0
191.08125	100.0
192.08473	2.0
193.08551	0.4
197.10655	1.3
199.08652	0.9
199.12366	1.3
200.09503	0.5
201.10190	0.8
213.10152	1.6
215.11777	1.5
216.07651	9.8
217.13348	0.3
219.11238	0.3
225.10210	1.2
227.11690	0.3
231.11357	0.4
233.09119	0.4
243.11253	0.5
245.09178	0.7
253.09676	0.4
259.10675	0.4
263.13873	6.6
263.16522	0.5
271.10742	0.8
289.11734	3.5
296.26041	0.3
307.12842	50.5
308.13071	1.6
314.26950	0.4
329.35062	0.2
332.27844	0.9
350.13422	44.1
350.28940	2.0
351.13623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39021	2.9
53.03935	6.7
55.01868	5.8
55.05506	24.1
55.87147	3.1
55.89502	2.8
57.03420	6.0
57.07076	5.0
65.03912	5.8
67.05501	40.3
69.03434	4.6
69.07066	23.9
71.05005	6.6
71.53107	3.9
79.05480	52.2
81.07046	69.8
82.71014	3.2
83.04967	7.2
83.08601	8.1
91.05468	65.3
91.84565	3.0
93.07032	73.6
95.04961	28.2
95.08607	41.8
96.08974	3.7
97.06520	12.4
103.05479	5.1
104.84492	3.3
105.07021	100.0
107.04958	3.5
107.08585	62.2
109.06523	13.4
109.10147	43.6
111.08104	5.3
117.07001	21.2
119.08570	97.1
120.08971	3.1
121.06501	7.7
121.10131	75.4
123.08072	13.7
123.11688	9.1
128.06256	6.6
129.07013	17.9
130.07753	6.1
131.08548	56.5
133.10120	51.3
135.08049	15.7
135.11690	19.2
137.09578	3.9
142.07759	17.6
143.08557	30.0
144.09360	8.9
145.10112	60.1
145.11180	6.3
147.11671	24.7
149.09572	18.5
149.13260	6.5
155.08516	12.7
156.09332	10.3
157.10115	38.8
158.10851	8.9
159.11694	30.2
161.09593	20.5
161.13228	10.7
163.11058	5.0
165.06934	3.9
167.08589	8.5
169.10124	20.0
170.10854	7.1
171.11629	21.2
173.09631	5.7
173.13231	19.9
175.11148	4.7
175.14824	7.7
179.08553	8.9
179.14249	10.1
181.10094	11.8
183.11696	21.3
185.09628	5.5
185.13161	15.8
187.11195	4.6
187.14784	21.8
189.12630	4.2
189.16388	3.4
194.10927	4.9
195.11685	15.3
196.12276	3.4
197.13220	13.8
199.14828	12.5
200.15469	5.2
200.81261	3.9
201.12775	6.6
201.16277	6.8
206.10983	3.5
207.11646	4.9
209.13266	18.1
210.13858	3.4
211.14854	10.3
213.16489	5.0
221.13257	3.6
223.14758	7.0
225.16266	4.2
227.14316	7.3
237.16370	4.8
239.17905	10.6
251.17924	6.2
253.19591	4.1
265.19534	4.6
266.20230	5.2
267.17297	4.1
275.20053	18.1
281.19144	4.3
316.67859	3.6
331.24097	7.0
349.25009	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05502	2.3
57.07066	4.7
60.05227	0.4
67.05498	2.9
68.67212	0.4
69.07067	3.2
69.47723	0.5
69.87258	2.9
71.08627	2.5
79.05473	3.6
81.07046	5.8
83.08590	1.2
85.06526	2.6
91.05453	1.7
93.07040	3.4
95.04948	1.2
95.08590	4.8
97.06512	0.5
97.10143	0.6
99.08080	1.6
105.07001	2.2
107.08574	3.4
109.06503	18.5
109.10125	2.2
117.07007	0.6
119.08569	2.1
121.06448	0.5
121.10127	1.6
122.07261	1.9
123.08056	22.8
123.11615	0.6
131.08557	0.7
133.10121	1.5
135.08067	3.3
135.11682	0.8
137.09531	1.0
143.08630	0.4
145.10088	1.1
147.11578	1.1
149.13324	0.6
159.11632	0.9
165.12701	0.7
167.14342	0.8
173.13353	0.5
179.14284	100.0
180.14651	2.2
193.15881	3.1
275.19928	1.1
289.25235	0.5
331.26318	2.3
349.27338	67.7
350.27652	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.36471	0.4
55.05503	6.5
56.00879	0.4
57.03432	1.2
57.07061	1.7
59.04963	0.5
59.09948	0.4
67.05497	5.8
69.07063	11.3
69.17919	1.7
69.18342	4.0
71.04989	1.4
71.08637	0.6
73.06507	0.5
79.05489	4.8
81.06590	0.8
81.07048	11.3
83.04961	1.4
83.08609	4.5
85.06539	0.9
91.05460	3.1
93.07034	6.8
95.04946	1.1
95.08596	9.7
97.06516	2.6
97.10152	1.0
98.21557	1.0
105.07018	3.1
107.08587	6.0
108.03368	0.4
109.06509	10.9
109.10144	4.0
111.08066	2.3
117.07008	0.9
119.08568	4.2
121.06480	0.6
121.10123	3.7
122.07290	0.6
123.08053	67.6
123.11680	1.7
124.08418	0.8
125.09624	0.8
131.08592	1.2
133.10126	2.8
135.08064	4.9
135.11697	1.9
137.09599	3.7
137.13237	0.6
145.10130	1.5
147.11690	2.1
149.09621	2.0
149.13208	2.2
159.11700	1.8
161.13231	1.2
163.11107	0.9
165.12741	0.6
167.14404	0.4
173.13280	0.6
175.14839	0.7
177.12814	0.7
179.14278	6.9
191.14401	0.5
231.15891	0.5
233.19012	0.7
275.19962	2.9
281.21014	0.8
289.25287	1.1
293.21075	18.3
294.21490	0.8
303.26804	0.7
307.22665	1.0
331.26218	3.5
349.27341	100.0
350.27634	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24707	2.1
53.03934	5.7
55.01867	14.3
55.05506	45.9
57.03430	33.5
57.07056	3.3
65.03931	3.5
67.05498	63.7
69.03415	4.3
69.07059	32.8
71.01375	2.3
71.04976	2.9
71.26046	3.8
77.51966	1.7
79.05486	97.0
81.03413	5.9
81.07047	68.3
83.04974	12.0
83.08616	16.0
84.26885	1.8
85.06514	6.3
91.05472	78.3
93.07031	68.3
95.01334	3.1
95.04964	15.4
95.08598	38.9
97.06508	12.7
97.10158	13.8
98.98430	4.9
103.05416	4.9
105.07021	84.0
107.04946	19.0
107.08579	90.5
109.06476	14.9
109.10141	21.6
111.08063	3.5
116.06242	2.2
117.06994	24.3
119.08567	42.6
121.06482	8.5
121.07303	2.0
121.10143	22.2
123.08060	7.4
123.11665	4.8
125.09620	15.2
129.06987	13.0
130.07852	4.4
131.08559	42.7
133.06500	3.5
133.10110	39.0
134.00569	2.1
135.08058	7.9
135.11700	13.6
137.09625	2.4
141.06961	4.4
143.08546	13.6
145.06433	2.7
145.10101	73.1
147.11659	39.3
149.09616	28.1
149.13286	9.4
151.11163	4.4
153.12737	2.1
155.01033	7.7
155.08527	4.4
157.10124	8.0
159.11664	28.5
161.09612	5.1
161.13226	9.3
163.11168	9.0
169.10109	7.3
171.11652	12.0
173.11925	2.2
173.13257	10.7
175.11107	4.4
175.14818	3.4
177.12732	6.3
179.14302	3.6
183.11684	8.1
185.13176	10.2
187.11148	3.7
187.14854	2.4
189.11209	12.7
195.13837	2.6
197.13245	6.3
201.16318	3.4
203.14339	5.0
211.14702	3.4
215.18022	3.0
219.13998	2.5
219.17415	34.3
228.61685	2.5
229.19513	6.0
239.17896	18.3
247.20634	2.9
257.18970	50.3
275.20029	100.0
293.21036	4.2
331.15668	3.1
331.22635	5.1
349.10645	3.5
349.23709	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.05502	22.5
57.03421	5.6
57.07058	3.7
67.05500	39.6
69.03404	3.5
69.07053	22.1
69.77254	7.6
69.77666	11.4
71.04980	5.8
79.05479	33.1
81.07043	50.8
83.04987	2.9
83.08607	7.1
91.05466	49.1
93.07038	66.7
95.04954	25.9
95.08590	50.1
97.06508	13.7
97.10165	2.9
98.21452	3.5
103.05431	4.7
105.07014	100.0
107.08579	52.2
109.06498	12.9
109.10139	44.5
115.05471	7.9
117.06996	20.5
119.08569	78.7
121.06469	6.1
121.10126	78.8
121.10936	5.3
122.10503	2.6
123.08026	12.7
123.11690	14.7
128.06233	7.3
129.06999	19.2
130.07767	6.6
131.08560	50.3
133.10110	41.1
135.08018	11.9
135.11674	20.1
141.07016	4.8
142.07774	16.9
143.08560	25.9
144.09337	10.9
145.10103	61.6
146.07230	5.2
147.07982	6.2
147.11670	21.7
149.09619	6.7
149.13257	4.9
155.08543	17.9
156.09320	12.1
157.10103	42.3
158.10921	6.4
159.11687	26.2
161.09584	16.0
161.13260	10.3
161.80696	3.3
165.06981	4.3
167.08527	6.4
168.09351	3.2
169.10123	19.9
170.10912	8.7
171.11705	15.5
173.09660	5.9
173.13257	14.7
175.14803	12.3
179.08543	10.2
179.14212	4.6
180.09369	3.9
181.10130	11.9
182.10899	6.4
183.11679	17.5
184.12433	7.0
185.09700	3.0
185.13235	15.6
187.11221	5.2
187.14740	16.8
193.10091	7.6
194.10934	8.4
195.11627	17.3
196.12404	4.2
197.13206	14.8
199.14832	11.3
201.16454	7.3
208.12466	3.8
209.13275	19.6
209.97412	3.7
210.13922	4.4
211.14761	13.3
213.12610	3.8
221.13197	8.9
223.14783	7.2
223.81981	3.0
225.16406	5.3
227.14334	13.1
239.17982	7.1
241.19466	5.8
251.17938	5.8
253.19460	7.8
255.17422	3.4
265.19482	6.4
275.20123	7.8
289.84958	3.0
331.23792	3.6
349.25058	63.4
350.25571	4.0
363.24481	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45352	1.6
53.03927	6.9
54.57820	1.6
55.01864	9.6
55.05506	24.9
56.96552	2.6
57.03429	21.4
57.07051	1.8
65.03921	5.6
67.05498	65.5
69.03414	2.8
69.07059	29.6
71.04977	4.7
71.52203	1.6
71.52618	2.0
79.05487	66.5
81.03404	5.5
81.07047	100.0
83.04947	7.6
83.08614	12.0
85.06512	5.5
91.04898	3.4
91.05470	69.8
93.07034	52.7
95.04964	13.7
95.08598	44.0
97.06538	10.9
97.10132	2.8
105.06306	3.5
105.07020	73.9
107.04916	7.7
107.08583	39.7
109.06506	20.4
109.10152	21.9
110.71617	1.8
111.08050	5.4
117.07014	27.1
119.08570	53.9
120.56950	1.7
121.06496	6.4
121.10123	21.7
123.08066	8.1
123.11676	7.3
125.09600	4.0
129.06978	7.9
130.07741	2.2
131.07593	2.7
131.08549	40.3
131.96503	1.6
133.06508	2.5
133.10120	46.1
135.08052	9.7
135.11687	14.2
137.05948	4.4
137.09586	6.1
137.13251	1.8
141.06995	4.0
143.08527	6.2
144.09215	1.8
145.10117	34.1
147.08037	3.4
147.11661	27.2
148.58946	1.5
149.09625	12.1
149.13260	6.4
151.11153	3.4
155.08554	5.1
157.10071	8.4
159.11676	27.6
161.09602	2.3
161.13234	10.2
163.11168	7.8
163.14766	2.3
165.12721	3.2
169.10172	4.2
171.11655	9.7
173.13260	15.9
175.11174	2.6
175.14725	3.2
177.12732	3.7
179.14189	2.5
183.11664	5.9
185.13173	3.0
187.11253	2.5
187.14804	2.4
189.12730	2.4
191.14282	2.4
197.13287	4.3
201.16519	2.9
213.16388	2.3
215.18010	2.1
219.17429	6.6
229.19502	6.7
239.18016	8.6
247.20544	8.8
255.09027	1.7
257.18985	27.9
275.12653	1.9
275.16940	3.2
275.20026	56.1
285.10260	1.8
291.06696	1.6
302.41086	1.5
331.15805	3.4
334.08350	4.4
344.93039	1.6
349.10733	15.4
349.16794	4.5
349.23691	85.6
350.24036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
54.47506	1.2
55.01869	11.9
55.05505	52.2
57.03428	17.6
57.07048	2.8
65.03932	2.9
67.05497	69.7
69.03414	4.8
69.07059	19.9
69.76494	8.0
71.04977	4.9
77.43806	1.7
79.05485	100.0
81.03402	4.2
81.07047	58.3
83.04975	26.6
83.08616	11.4
85.06526	2.6
91.05473	54.9
91.29623	1.6
93.07034	70.7
95.01304	2.6
95.04945	18.0
95.08595	29.2
95.71401	1.3
97.06506	6.8
97.10181	15.1
103.05426	2.4
105.04494	2.2
105.07022	50.1
107.04222	1.8
107.04943	27.4
107.08580	57.0
109.06498	6.8
109.10132	24.7
111.08079	4.5
115.05444	2.7
117.07010	15.4
119.08571	40.9
120.08056	1.9
121.06502	5.5
121.10135	25.2
123.08048	5.5
123.11706	4.0
125.09625	15.2
129.06970	6.2
131.08557	22.0
133.10123	28.8
135.08032	9.7
135.11664	5.7
137.09604	4.2
141.06989	2.4
143.08553	1.9
145.10103	16.8
147.11673	20.2
149.09592	50.4
149.13235	4.3
155.08507	1.7
157.10103	4.8
159.11693	11.5
160.66852	1.6
161.09634	2.0
161.13228	7.1
163.11211	3.5
163.14832	5.7
169.10127	2.0
169.12221	3.7
171.10188	2.0
171.11649	4.0
173.11755	5.4
173.13252	8.7
174.40538	1.5
175.11177	2.6
179.14236	2.8
183.11696	2.4
187.11147	2.6
187.14763	2.7
189.11206	5.3
191.14268	2.4
193.12106	1.6
197.13316	3.3
202.97234	1.5
203.14169	1.8
209.15306	4.6
229.19458	4.8
233.15414	1.9
239.17973	3.5
247.20540	4.1
257.19016	10.0
275.20032	50.7
276.20587	1.9
293.20850	2.8
341.30093	1.6
349.10645	2.4
349.23694	37.1
349.27423	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01847	3.1
55.05499	8.8
57.03157	2.7
57.03431	38.9
60.01033	1.2
62.47142	1.3
65.03930	2.1
67.05497	30.6
67.07574	1.2
69.07076	7.7
70.65273	2.0
70.65585	2.0
71.01316	1.4
71.04975	2.6
71.76746	1.2
73.71275	1.7
77.03899	1.7
79.05482	28.1
81.03423	1.8
81.06599	1.6
81.07057	26.3
81.15166	1.2
83.04980	4.0
83.08593	5.2
85.06529	10.7
91.05473	39.0
93.07032	33.2
95.04948	5.6
95.08595	17.2
97.06499	1.8
97.10165	2.4
99.04433	5.5
103.05447	2.4
105.07022	27.3
107.04922	3.7
107.08587	17.9
109.06523	8.9
109.10136	6.1
111.08062	3.7
117.07012	13.4
119.08574	25.0
121.06521	2.4
121.10114	8.6
123.08022	3.4
123.11694	1.7
129.06987	1.9
131.08560	22.4
133.10110	14.3
135.08043	3.1
135.11668	9.0
137.09625	2.2
143.08551	2.5
145.10107	12.4
147.11661	5.9
149.09618	3.1
149.13261	2.5
153.12720	2.3
157.10170	1.8
159.11711	9.7
161.13284	1.7
163.11093	1.5
171.11810	1.9
173.13231	4.6
175.14786	2.3
185.13205	3.7
201.16351	7.4
203.10942	1.4
203.14299	2.1
209.15320	2.0
219.17416	100.0
220.17625	1.8
250.70795	1.3
257.18970	2.8
264.78833	1.7
275.19998	13.0
332.76114	1.3
349.23712	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01851	4.5
55.05505	14.9
57.03165	2.1
57.03434	38.4
57.07045	1.3
58.27209	1.1
65.03919	3.1
67.05498	46.4
69.03413	2.3
69.07061	18.9
70.03242	4.2
71.05000	2.4
79.05483	45.7
81.03413	7.5
81.07050	47.4
83.04963	5.5
83.08606	8.8
85.06535	9.9
91.04898	2.5
91.05470	47.8
93.07034	43.8
95.01305	4.6
95.04954	8.9
95.08596	33.1
95.86448	1.1
97.02884	2.1
97.06511	8.0
97.10141	3.8
98.21545	1.5
99.04454	5.9
103.05499	1.4
105.04520	1.4
105.07014	42.4
107.04945	11.4
107.08580	25.4
109.06507	11.9
109.10148	8.4
111.08078	4.3
115.05440	2.3
117.07008	17.2
119.08572	33.9
121.06517	3.8
121.10130	12.7
123.08065	9.7
123.11669	3.4
125.09600	1.6
129.06984	6.3
131.08560	23.0
133.03444	1.2
133.10114	21.8
135.08038	5.3
135.11638	8.6
137.09602	6.0
138.61243	1.2
141.06949	1.8
143.08588	3.6
145.10109	15.9
147.11667	12.1
149.09593	5.0
149.13269	3.7
151.11133	1.8
153.12720	3.6
157.10133	3.4
159.08055	1.5
159.11684	13.2
161.09538	1.6
161.13255	5.0
163.11171	2.4
163.14754	1.6
169.10114	2.1
171.11703	1.7
173.13298	5.8
175.14827	1.9
177.12750	3.0
179.14285	4.3
183.11690	2.8
185.13271	4.5
189.12836	1.3
195.15747	1.5
197.13300	2.1
200.83315	1.2
201.16367	5.5
203.14273	4.1
208.18259	1.2
219.17415	100.0
220.17693	2.7
229.19429	1.5
239.17921	2.3
247.20554	1.9
257.18970	4.7
275.20059	26.5
301.20105	1.5
349.23676	21.9
349.27353	3.0
349.34024	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.9
55.01872	10.6
55.05506	39.4
56.96553	4.8
57.03202	1.8
57.03437	23.1
57.07060	3.5
59.04988	3.4
61.02900	2.8
65.03924	4.2
67.05499	81.5
69.03422	4.6
69.07065	25.4
70.06187	1.9
70.52527	4.6
70.52926	3.6
71.04986	5.1
76.53611	2.0
76.94618	1.9
79.05485	100.0
81.03399	6.5
81.07048	89.0
83.04972	15.8
83.08614	15.8
85.06539	4.4
86.33644	2.1
91.05474	77.6
93.07035	75.5
95.04966	13.1
95.08061	3.8
95.08600	40.3
97.02879	2.3
97.06508	7.5
97.10141	8.9
99.04438	2.7
99.08028	3.3
100.24229	2.3
103.05434	2.4
105.04527	2.1
105.07019	72.1
105.48937	2.5
107.04954	15.0
107.07881	3.6
107.08578	57.4
109.06492	21.4
109.10151	25.3
110.66978	2.4
111.08118	4.9
117.06998	27.7
119.08575	57.1
121.06488	4.9
121.10136	25.4
123.08068	6.2
123.11691	7.4
125.09611	6.3
129.07008	11.0
130.07793	3.4
131.08540	34.8
133.10118	54.2
135.08020	9.6
135.11691	10.2
137.09584	9.7
143.08546	10.6
145.10101	31.5
147.11658	33.5
149.09608	24.0
149.13217	7.3
151.11108	4.7
155.08531	4.2
157.10110	8.9
159.11662	24.8
161.09630	4.5
161.13222	10.4
163.11169	6.7
163.14835	4.4
169.10069	5.4
171.11655	7.5
173.11877	3.6
173.13214	17.2
175.14763	3.0
177.12704	4.0
183.11678	4.8
185.13190	6.4
187.11151	3.5
187.14761	2.6
189.11151	3.8
189.12732	2.6
191.06866	2.0
193.12250	4.0
197.13251	4.4
201.16368	2.5
203.14256	5.2
210.16748	2.2
211.14838	3.3
219.17479	5.7
229.19470	6.0
233.15353	3.8
239.17967	9.9
247.20546	8.5
257.18982	24.7
267.08997	5.2
269.10355	2.6
275.20035	72.7
285.10022	8.8
349.10553	6.9
349.23709	65.3
350.10999	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	1.4
53.03939	7.7
55.01868	15.8
55.05509	49.8
57.03429	18.1
57.07074	1.8
65.03934	3.7
65.55293	1.1
67.05499	59.1
69.03412	4.7
69.07069	20.1
69.34456	12.8
71.04977	5.9
77.42115	1.5
79.05488	100.0
81.03415	8.3
81.06595	2.7
81.07051	50.5
83.04978	26.7
83.08611	13.8
85.06539	3.3
88.07632	1.4
91.05475	53.7
93.07036	67.1
95.01324	2.0
95.04954	18.2
95.08601	21.0
97.06528	11.2
97.10175	12.1
103.05412	1.7
105.04521	1.5
105.07026	46.3
107.04947	33.1
107.08583	59.9
109.06522	6.9
109.10149	26.4
110.48003	1.4
111.08060	5.0
117.06990	16.8
119.04935	1.4
119.08571	27.8
121.06504	4.1
121.10135	22.0
123.08050	3.8
123.11681	4.2
125.09632	16.3
129.06973	2.9
131.08551	16.6
133.10120	27.3
135.08064	10.1
135.11694	8.1
137.09602	3.3
141.07018	1.7
142.85764	1.4
143.08517	3.7
145.10117	15.9
147.11668	15.1
149.09619	46.9
149.13260	4.2
151.11174	1.6
153.09084	3.6
155.08476	1.6
157.10097	3.5
159.11707	11.1
161.09601	1.4
161.13258	5.0
163.11165	4.1
163.14798	5.9
169.10071	2.1
169.12225	4.5
171.11742	2.3
173.11711	4.7
173.13220	8.3
177.12819	2.8
179.14267	3.1
181.03125	1.4
183.11725	1.8
189.11250	5.3
191.14314	3.7
197.13237	2.0
205.12190	2.0
209.15361	4.3
229.19543	4.9
233.15506	1.8
239.17918	2.5
247.20575	3.8
257.19040	8.2
275.20044	44.3
276.20248	1.6
314.15637	1.4
349.13467	1.5
349.23685	29.1
349.27588	2.7
349.33444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01857	3.7
55.05507	21.5
56.96548	3.4
57.03418	10.2
60.04500	4.3
61.02907	4.2
67.05500	48.8
69.03426	7.7
69.07059	17.4
71.04975	9.1
79.05493	30.3
81.03407	8.1
81.07050	44.9
83.04958	5.5
83.08596	12.6
85.02904	5.5
85.06535	5.0
91.03967	3.1
91.05476	31.6
93.07037	27.7
95.04964	9.0
95.08602	22.1
97.02896	6.4
97.06519	11.5
97.10129	6.8
98.06882	2.9
98.21561	4.6
105.07019	27.3
107.04932	7.4
107.08593	18.5
109.06480	6.1
109.10144	37.7
111.08092	5.3
117.06987	7.2
119.08550	19.6
121.06454	3.3
121.10144	11.3
123.08108	4.0
125.09628	8.5
127.03873	2.9
131.08499	15.8
133.10133	16.0
135.11636	6.0
141.57442	3.0
143.08522	7.3
145.10112	18.4
147.11697	14.8
149.09595	6.6
149.13242	7.5
155.10612	6.2
159.11665	12.8
161.13231	5.6
163.11172	4.6
165.12738	3.1
173.11739	59.0
173.13165	5.9
175.11237	3.1
181.04938	100.0
182.05283	95.4
183.05331	7.4
183.11737	6.4
189.11208	6.3
195.13739	3.3
206.07465	3.4
208.06821	3.0
218.77640	2.9
257.19031	8.8
267.08969	8.7
275.20035	20.0
277.21555	12.2
285.09985	14.0
295.22723	5.1
348.14880	5.1
349.15771	8.1
349.23737	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	348.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.05493	2.5
56.05029	5.7
56.96572	5.8
57.03421	3.2
60.04507	4.5
65.03941	3.1
67.05501	4.5
68.04983	2.5
68.99792	4.8
69.03413	5.5
70.06577	9.2
71.52632	5.1
72.08148	6.6
79.05472	3.2
80.05005	3.8
81.07039	15.9
83.04951	3.2
84.04495	22.3
84.08126	6.6
85.02896	6.0
86.09693	9.3
87.02702	5.6
91.05478	9.0
95.04951	6.7
97.02894	2.9
105.00050	3.4
107.04938	2.7
109.02901	3.4
111.04396	4.7
116.98618	3.1
118.34698	2.5
119.04944	7.5
120.42075	2.8
121.02878	3.1
122.02717	9.2
123.04415	100.0
124.03957	3.6
126.05520	3.6
127.03848	3.1
128.06190	3.0
129.10269	4.0
130.04980	4.9
130.06540	3.5
132.01108	2.9
135.04404	7.1
136.06200	17.4
136.07571	8.8
137.02338	4.6
137.05954	3.9
138.05478	11.6
138.09116	4.8
139.03896	51.8
140.03375	4.1
142.05002	2.5
146.05988	2.5
147.04366	20.8
148.03906	5.6
149.01282	4.1
149.02283	12.2
149.05949	5.4
150.05566	5.2
151.03917	8.8
151.07538	6.9
152.07065	9.4
153.05527	3.4
154.04982	39.2
155.03453	13.4
158.06090	2.3
162.05508	10.4
163.03879	23.7
164.07028	15.9
165.05412	7.3
166.04977	35.8
166.08519	2.9
167.03398	4.9
168.06551	8.9
176.07062	2.6
177.05466	4.3
178.05006	11.4
179.03418	6.9
180.06541	39.8
181.04907	3.6
184.06082	2.9
186.99178	5.9
187.04059	3.6
188.07149	3.1
189.07832	2.6
192.06526	8.2
194.08130	6.9
196.06027	28.4
202.08893	12.2
203.07292	5.8
208.06018	34.5
210.07573	6.8
213.12358	3.0
219.01811	3.6
227.00757	2.5
271.05905	4.1
288.08688	8.3
289.06976	3.9
302.12894	7.6
306.09738	12.1
308.67944	2.7
312.08789	3.0
330.09698	11.1
348.10452	37.0
349.08853	12.8
349.14182	3.2
351.85889	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	347.0761
Annotation	Artemexitin
Peak:m/z	Relative Intensity
50.69646	0.4
53.03938	0.9
55.05509	0.6
57.07053	0.9
58.99577	0.4
60.04509	1.0
65.03940	0.8
67.01865	1.0
67.05489	0.6
68.99783	2.2
69.03418	1.4
69.07043	0.8
70.06588	1.4
70.20191	0.8
70.20596	1.2
71.04984	0.4
71.49542	0.4
72.08156	4.0
73.08482	1.2
74.00668	0.5
79.05495	5.0
81.03422	1.2
81.07051	0.7
83.90385	0.4
84.04498	1.6
84.08154	1.4
85.02896	0.8
86.09701	2.8
87.10006	0.8
91.05459	0.9
91.44790	0.4
93.07037	0.5
95.04972	2.5
97.02866	0.8
98.21347	0.6
98.97558	0.4
105.03400	1.2
106.04191	0.8
107.04945	11.0
107.05634	0.8
109.02851	1.2
109.06578	0.5
110.07224	0.5
111.00793	0.7
115.03276	1.9
115.05460	0.5
116.98654	0.4
119.04926	0.5
120.08145	0.5
121.02838	1.1
121.06483	0.5
123.04417	1.0
124.05186	1.5
125.05984	0.7
127.03952	0.6
131.04913	0.5
133.02867	1.8
134.03606	0.9
135.04401	4.5
137.02353	1.2
137.05981	0.6
138.03143	0.5
139.03894	10.9
139.04906	0.7
145.02838	0.5
147.04414	0.7
149.02280	0.8
149.06020	0.7
151.03912	1.3
152.04669	3.9
153.01819	100.0
153.05411	10.2
154.02214	2.3
154.06229	3.1
155.04860	0.6
155.07092	0.6
157.06465	1.0
160.05284	0.6
163.03886	4.2
165.01839	10.4
167.07024	8.2
171.04359	0.5
175.03902	0.7
179.03555	0.5
179.06998	0.5
180.04179	1.1
181.05086	0.6
183.02888	0.6
185.06020	0.8
187.03819	0.5
187.10829	0.5
188.11040	0.8
195.06439	0.6
197.05995	0.9
199.03911	1.3
200.04689	1.1
201.05463	0.9
203.06944	0.5
207.02946	0.7
207.06551	1.4
209.00778	1.4
213.05476	1.7
215.10344	0.6
216.04144	3.1
217.04921	0.6
218.05977	1.3
224.03149	3.7
227.03366	2.7
228.04146	0.9
229.04900	1.4
231.02832	0.6
231.06590	1.5
241.04930	1.5
244.03680	6.6
245.04431	0.8
248.13246	0.6
255.02870	14.7
255.05472	0.9
257.04343	0.6
259.06033	8.1
269.04416	1.5
272.03174	1.6
283.02386	4.0
284.03180	1.0
287.05490	19.0
288.05634	0.6
291.08545	8.8
297.03934	1.0
300.02496	1.0
315.04968	13.9
319.08051	3.2
336.54465	0.4
341.59393	0.5
347.07578	78.8
347.21762	1.2
348.07935	4.0
358.08078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0759
Annotation	5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone
Peak:m/z	Relative Intensity
53.00330	0.4
53.03960	0.5
53.39754	0.3
55.01876	0.5
56.86180	0.4
60.81049	0.3
65.03946	0.8
67.05513	1.1
68.02854	0.3
68.99809	1.0
69.03423	3.5
71.52583	0.6
78.39953	0.3
79.05513	1.0
81.03414	1.0
81.07068	1.0
82.32343	0.4
83.04978	0.6
91.05495	1.2
93.03435	0.9
93.07060	1.3
95.04993	1.0
95.08612	0.6
102.96148	0.3
105.03384	0.5
105.07050	0.8
107.05000	1.0
107.08623	1.5
109.02879	0.4
109.06520	0.5
109.10163	0.4
111.04462	1.0
117.07059	0.7
119.08657	0.4
121.02852	2.5
121.06448	0.4
121.10137	0.5
121.26752	0.3
123.04456	1.0
125.06004	0.5
127.03916	0.5
129.07027	0.4
130.06552	0.5
131.04987	0.4
131.08600	0.5
133.02856	0.5
133.10089	0.4
135.04393	1.6
135.11684	0.5
137.02330	12.4
137.05986	1.0
139.03862	0.4
143.08551	0.5
145.10133	0.4
147.04370	0.4
149.02357	0.6
151.03928	1.0
153.01843	0.6
153.05515	1.0
153.06992	0.8
161.02318	2.0
163.03880	3.7
169.04938	0.4
177.01865	0.4
177.05559	0.5
179.03395	5.3
181.04951	1.4
181.06531	1.1
187.03908	0.9
188.11888	0.6
189.09149	0.4
191.03354	1.2
193.04955	0.9
195.02885	0.7
197.04323	0.6
199.07544	1.2
203.03384	1.1
205.05002	0.5
207.06578	0.5
209.06036	0.6
227.06967	1.7
231.02913	1.0
237.05490	1.1
245.08061	0.5
255.06439	2.6
259.02460	0.4
259.06000	0.6
261.03918	3.1
261.14816	0.4
273.07608	0.8
283.06009	1.3
286.04779	0.7
287.05551	1.1
300.06097	0.7
301.07043	8.9
305.03043	0.4
311.05396	2.0
329.06519	100.0
330.06836	3.7
347.07581	33.9
348.07944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.1
56.05031	9.1
56.96553	0.7
57.03429	1.1
57.07078	4.6
58.06592	1.0
60.04520	100.0
65.17092	0.6
67.05505	3.8
69.07061	3.6
69.87804	1.0
69.88216	2.5
70.06593	2.2
71.08633	3.0
72.04525	1.5
74.06067	4.3
79.05495	2.1
81.07045	3.9
83.04961	1.1
83.08595	3.8
83.60515	0.6
85.10207	2.0
86.06076	1.3
88.07620	7.2
90.05556	1.3
91.05498	0.7
93.07071	1.8
95.08599	5.0
97.10197	2.1
102.09196	1.1
107.08621	1.5
109.10191	2.5
111.11734	1.3
118.08669	1.0
120.70477	0.7
135.11736	0.7
159.11810	0.7
164.10805	1.0
232.61615	0.6
276.23203	7.2
277.23926	0.7
280.30161	1.5
282.31677	0.7
284.29782	2.2
292.30319	1.9
293.28452	1.1
298.31073	6.1
310.31003	15.2
311.31760	1.1
316.05743	2.4
319.71442	0.6
328.32080	19.3
329.32736	1.1
331.08051	0.8
346.10132	3.5
346.33514	59.8
347.22241	1.9
347.34027	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0756
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01874	0.2
61.13184	0.2
65.03925	0.4
67.01846	0.2
68.99777	1.7
69.03395	0.3
70.21666	0.8
77.33153	0.2
79.05491	0.5
80.23614	0.2
81.03408	0.3
81.07057	0.2
92.02606	0.3
93.03391	0.5
95.04953	0.3
98.21450	0.2
105.03384	0.7
106.04143	0.4
107.04917	0.7
109.02856	0.6
110.03648	0.2
111.00793	0.7
111.04432	0.3
112.85503	0.2
115.05447	0.2
117.06993	0.2
121.02860	2.4
122.03722	0.2
123.04409	0.3
124.01536	0.3
125.05932	0.2
126.03126	0.3
127.03825	0.3
129.07007	0.4
131.04907	0.2
133.02844	0.6
134.03624	0.4
135.04413	0.2
137.02324	2.7
138.03082	0.4
139.03882	5.6
141.06927	0.3
145.06438	0.6
147.04407	0.5
149.02306	0.3
150.03094	1.0
151.03891	0.4
152.01024	0.3
152.04559	0.3
153.01810	13.9
153.05434	5.3
154.02144	0.3
154.06219	1.2
157.06477	0.5
161.05882	0.2
162.03140	0.3
163.03897	0.7
165.01820	4.6
165.23486	0.2
166.02589	0.4
167.07024	0.2
170.02126	0.4
171.04401	0.5
173.05978	0.3
175.03873	0.2
178.02608	0.7
179.03360	0.5
181.04941	2.9
181.53214	0.2
183.02887	1.2
183.04280	0.2
184.05174	0.3
185.05937	0.5
187.03848	0.4
188.04669	0.3
191.03392	0.3
193.04897	0.2
194.02077	0.6
199.03900	0.3
201.05492	1.2
202.06143	0.3
203.03313	0.2
203.07068	0.3
205.04922	0.6
207.02853	0.4
207.06485	1.4
212.04665	0.3
213.05521	1.7
215.03374	0.6
216.04117	2.0
217.04915	0.8
218.07265	0.2
219.02834	0.8
221.04478	0.3
227.03310	0.5
228.04153	0.5
229.04941	4.3
229.07072	0.4
230.05641	2.1
231.06471	1.9
232.03703	0.6
233.04453	0.8
241.04871	1.6
243.02882	1.9
243.06436	0.2
244.03638	3.1
245.04408	1.0
247.05983	0.3
248.03122	0.2
255.02887	1.5
256.03473	0.4
257.04428	3.1
258.05194	10.7
259.05927	3.9
260.03104	0.4
261.03821	1.1
269.04395	2.8
270.04907	0.3
271.05966	0.3
272.03180	1.0
273.03824	0.6
274.04639	0.5
275.05460	0.2
283.02283	1.1
284.03235	0.9
285.03894	3.6
286.04675	8.1
287.05475	11.5
288.05908	0.6
289.03397	1.5
291.08569	2.4
296.02991	0.2
297.03867	0.6
300.02716	0.9
301.03436	1.0
301.06598	0.2
302.04086	0.5
303.04935	6.0
304.05630	0.5
313.03360	2.3
314.04135	1.9
315.04953	4.1
316.05606	0.6
317.02753	1.0
318.03775	0.2
318.07291	0.7
319.08115	0.3
329.06540	0.3
331.04437	10.5
332.05142	3.2
347.07556	100.0
348.07889	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46397	5.4
54.90846	5.8
55.05497	25.2
57.03434	5.5
59.82128	5.8
65.58305	6.0
67.05501	72.6
69.07058	16.5
71.52398	10.0
73.35101	6.7
79.05478	28.7
81.07078	42.3
83.04980	13.6
83.08615	15.7
91.05451	16.4
93.07026	24.4
95.04966	10.4
95.08591	24.0
97.06513	13.0
97.10130	17.2
105.07015	24.8
107.05001	7.8
107.08566	31.9
109.10138	52.0
117.07034	8.1
119.08585	16.3
121.10139	14.9
125.09611	13.6
131.08553	17.7
133.10143	18.2
137.09608	7.5
138.12193	7.3
145.10138	9.8
155.10672	16.7
159.11696	15.1
173.11739	100.0
173.13208	12.4
181.04927	7.7
189.11192	16.8
195.13824	26.5
213.14807	7.7
275.20010	46.5
288.31210	6.3
314.11081	31.4
315.05017	11.0
316.05353	30.2
331.07623	14.3
346.10022	56.5
346.13718	11.3
347.07382	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01855	1.5
55.05510	12.1
56.05032	10.4
57.07072	12.4
58.06579	2.5
59.03102	1.2
60.04521	100.0
66.30821	1.1
67.05498	16.6
69.07061	15.8
70.06577	3.5
71.04958	2.4
71.08619	8.1
71.52792	1.9
72.04504	2.8
74.06052	2.7
79.05485	18.7
81.07050	20.7
82.06564	7.7
83.04973	7.2
83.08616	10.6
84.04488	2.5
85.10145	2.7
86.06055	10.4
86.09697	2.4
88.03967	6.6
88.07613	2.0
91.05466	4.7
93.07032	14.6
95.08598	20.0
97.06519	3.0
97.10164	7.0
98.06016	1.8
104.90771	1.3
105.07010	1.4
107.08603	6.3
109.10154	10.3
111.11739	2.2
121.10145	11.1
123.11688	3.2
124.91648	1.2
135.08032	1.7
135.11659	5.4
189.42686	1.2
234.14780	2.0
247.24211	3.7
250.34781	1.2
254.28455	2.9
256.03354	1.7
264.26779	7.0
265.25217	17.9
270.27863	5.6
280.26440	2.9
282.27896	38.9
282.31070	2.2
290.21014	1.9
292.26306	13.0
298.30795	2.7
300.28955	15.1
310.27341	17.6
310.30994	6.8
316.05243	5.2
318.29910	1.6
328.28381	25.0
328.32101	11.6
331.07581	2.3
346.10010	10.3
346.33185	24.5
347.10242	1.3
347.25858	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	346.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.3
56.05027	2.4
60.04507	2.8
67.05476	1.4
67.20252	1.1
69.03413	1.7
69.07073	2.6
70.06577	3.9
70.19925	2.7
72.08148	66.0
73.02897	1.3
74.06068	2.7
81.03419	1.3
81.07043	2.1
82.06562	5.9
83.04980	1.2
84.04482	2.4
84.08116	1.8
85.02904	2.3
86.09698	49.0
87.10018	1.2
88.03975	12.1
91.05476	1.9
93.07045	1.3
94.06562	1.2
96.08117	4.3
98.02399	5.3
98.21563	1.2
99.09196	1.8
100.03981	1.7
107.04920	1.5
109.02846	1.0
110.07140	1.1
113.43874	1.0
115.03246	1.2
116.98521	1.0
118.08712	2.4
121.68313	1.0
123.04423	2.9
124.07603	3.3
126.05490	1.1
127.08656	14.5
128.07079	3.1
129.10216	2.3
132.10168	8.8
138.09128	1.6
139.03883	4.4
141.10214	4.3
141.56305	1.0
142.08618	24.5
147.04367	1.7
151.03874	1.6
152.07040	1.1
153.01746	1.5
155.03421	2.4
156.10217	2.9
160.18442	1.3
163.03886	1.1
163.51591	1.0
169.09772	5.7
170.08195	2.5
183.11253	2.0
184.09627	1.4
187.10765	100.0
188.11055	2.2
197.09279	2.2
199.18010	1.5
201.12337	29.7
202.10828	1.6
203.13872	2.6
215.08362	1.7
215.10272	20.5
215.13533	1.2
216.10555	1.7
229.11826	6.9
231.17049	3.2
239.84509	1.1
281.36215	1.2
305.19052	1.1
316.05334	3.2
346.09930	5.0
346.13980	1.0
346.26089	1.9
347.07605	4.1
347.12405	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	346.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05500	7.6
56.05016	2.8
60.04508	3.5
67.05492	1.3
69.07034	2.7
69.88016	4.6
70.02924	1.4
70.06584	3.8
71.04948	0.7
72.08142	73.5
73.02892	2.2
73.08467	1.8
74.06053	3.0
75.15146	0.8
81.03387	1.2
81.07038	1.1
82.06561	6.5
83.04941	0.8
84.04491	2.3
84.08119	2.2
85.02882	2.3
85.04000	1.9
85.60547	0.7
86.09692	53.7
87.10013	1.5
88.03979	15.9
91.05470	0.9
91.39996	0.7
93.07024	1.1
94.06550	1.2
95.04969	1.9
95.08550	0.8
96.08125	4.1
97.02849	1.3
98.02393	4.4
98.05996	0.8
98.21622	0.8
99.09200	3.1
100.03952	1.8
100.07576	1.0
107.04935	2.3
107.08599	0.8
109.02873	1.4
110.02316	0.9
110.07135	1.2
113.10725	0.9
115.03247	0.9
118.08634	2.1
119.04913	0.8
121.10112	0.8
123.04391	2.9
124.07581	3.6
126.05505	1.2
127.08664	17.4
128.07050	2.6
132.10193	9.5
137.05920	1.0
138.09077	2.0
139.03862	2.2
141.10190	5.8
142.08618	27.5
146.06041	1.1
147.04367	1.8
149.09644	0.9
151.03902	1.1
152.06993	1.1
153.01810	1.4
154.02515	1.6
155.03340	2.2
156.10178	3.9
162.05426	1.1
163.03943	0.9
163.11154	0.9
164.11481	1.6
166.05008	0.9
169.09727	5.9
170.08101	3.3
177.05421	1.1
183.11220	2.5
184.09592	1.9
187.10750	100.0
188.11090	2.7
188.27455	0.8
197.09184	1.5
199.18010	1.8
201.12309	30.3
202.10701	2.6
202.12546	1.4
203.13866	2.8
215.08325	0.8
215.10237	19.9
215.13693	1.3
216.10681	0.9
229.11879	5.6
229.13860	1.0
231.16997	2.1
247.10501	0.9
285.12451	1.8
287.05487	1.4
316.05298	2.4
346.09744	3.7
346.25754	1.6
347.07693	2.9
347.12405	1.4
355.11789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03942	0.7
54.75975	0.3
55.01858	0.3
56.96553	2.6
57.03433	0.4
60.04525	0.3
61.02909	0.7
62.14936	0.3
65.03932	0.5
69.03423	2.9
69.13406	0.3
70.06585	1.6
70.40430	0.5
71.06910	0.4
72.08147	4.0
73.02889	0.5
74.06069	0.3
74.83671	0.3
75.03207	0.3
81.03410	1.0
82.06573	0.3
84.04478	0.8
84.08148	1.4
85.02905	3.9
86.06114	0.3
86.09684	0.8
87.04463	0.4
92.04984	0.6
95.04977	0.3
96.08099	0.3
97.02866	1.8
98.97584	1.8
102.05518	0.3
109.02866	0.9
109.12715	0.3
110.06021	0.4
112.07579	0.3
116.00156	0.3
116.07079	0.7
116.98622	1.2
119.01923	0.5
120.04433	1.4
120.57296	0.3
127.03889	0.5
128.98643	0.5
129.10239	0.6
130.93367	0.3
134.99637	0.5
135.04414	0.4
136.07558	0.3
138.05473	3.0
139.03874	4.2
140.04160	0.4
140.07060	0.4
143.00168	0.5
145.04955	0.4
146.99622	0.4
148.03917	46.4
149.04224	0.6
159.03322	0.4
160.02779	0.4
161.01175	0.6
163.03889	0.7
165.05550	0.3
166.04984	98.8
167.05331	1.5
170.99600	0.4
171.14891	1.1
172.94298	0.3
177.00720	0.7
179.02231	0.5
184.06038	100.0
185.06357	0.9
190.95334	0.6
191.03777	0.3
196.08380	0.4
199.14433	0.4
203.02199	0.5
219.01817	0.5
219.08018	0.3
220.08284	0.3
224.07835	0.3
232.96509	0.6
237.02768	0.3
248.95837	0.5
254.13698	0.4
283.11591	0.4
300.14163	0.5
316.05307	0.8
329.11829	0.4
331.07565	0.4
346.10974	2.4
346.14612	0.3
346.22577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01862	3.8
55.05500	4.6
56.05037	3.3
57.03408	3.5
60.04507	7.6
61.02918	10.2
62.06104	1.4
69.03418	17.7
69.07050	4.4
70.06589	8.5
71.04977	3.6
71.52666	2.9
72.08151	24.5
73.02911	1.8
73.08480	4.6
79.05482	5.8
81.03410	7.3
81.07054	2.7
83.06123	2.1
84.04498	20.5
84.08126	3.6
85.02377	2.5
85.02899	76.2
86.09700	100.0
88.03941	1.5
91.03928	5.4
91.05467	5.2
93.07017	3.0
95.08566	2.3
97.02301	2.4
97.02882	22.2
98.02462	1.7
98.97546	1.9
99.04431	4.0
101.02407	1.8
102.05518	7.2
103.05453	9.5
104.07076	5.1
107.04957	4.6
109.02879	7.8
110.06014	1.8
110.07146	2.0
115.03278	1.7
116.07088	2.5
120.08082	1.8
121.06493	59.2
123.04478	3.6
124.07578	2.0
127.03901	21.6
129.06554	2.8
135.04376	1.9
136.07558	3.3
137.02295	3.1
137.05952	2.1
139.03845	10.5
142.08600	2.7
144.06569	12.1
145.04948	35.2
147.04399	2.9
149.05983	5.9
151.03925	3.2
153.01776	2.8
157.13341	20.4
162.07620	22.7
163.03877	4.5
163.06001	7.0
167.07002	6.3
179.03412	1.9
179.07011	6.6
185.12852	4.1
186.12305	2.2
187.10760	2.0
197.12843	3.8
199.18074	4.0
201.12404	4.0
201.14178	2.8
202.10803	2.9
214.11865	2.3
215.13864	5.4
215.59479	2.0
218.05946	2.1
229.11790	4.7
233.11223	4.9
243.13515	2.4
279.62726	1.8
301.06976	2.8
316.05307	7.0
329.06503	23.1
346.10272	10.4
346.25803	7.3
347.07690	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50279	1.2
53.03934	2.5
55.01853	3.9
55.05496	1.8
56.05020	1.6
57.03438	6.7
60.04521	10.2
61.02908	9.1
64.03992	1.4
69.03415	18.9
69.07044	4.3
70.06584	7.2
71.04967	2.4
72.08148	20.9
73.02906	4.4
73.08472	4.5
73.10380	1.3
74.06083	2.4
79.05487	3.7
81.03425	9.0
83.06091	1.8
84.04503	18.6
84.08112	3.3
85.02899	100.0
86.09695	67.2
87.04446	2.9
87.10033	3.8
88.03963	1.5
88.69569	1.5
91.03934	7.4
91.05466	2.6
93.07018	2.9
95.04900	1.4
97.02882	27.6
98.20725	3.2
99.04422	4.5
102.05546	7.4
103.05458	12.1
104.07092	11.0
107.04946	3.5
107.08569	1.5
109.02872	7.1
115.03247	3.0
121.06493	74.7
125.02347	1.5
127.03896	23.7
129.06548	1.5
129.10260	2.4
131.04887	4.5
135.04370	1.8
136.07532	2.5
137.06027	2.4
139.03934	1.7
139.07480	3.2
141.10207	2.4
144.06543	4.9
145.04944	40.0
149.05959	3.9
153.01802	7.4
157.13368	9.4
162.07619	9.7
163.03894	1.9
163.05939	7.3
167.06996	10.0
184.09612	1.9
186.12427	3.1
187.12688	1.9
197.12816	4.9
199.02364	2.2
200.13951	1.9
201.12265	5.0
201.14232	4.5
215.10210	2.8
215.12160	1.5
215.13914	8.7
218.88763	1.5
229.11751	2.1
229.37335	1.8
236.50064	1.5
243.13492	1.8
256.03036	1.5
281.59378	1.3
315.04791	1.8
316.05222	3.8
328.24866	1.7
329.06494	2.9
346.09976	4.1
346.22235	1.7
346.25861	4.9
347.07474	3.5
349.39572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.0
66.04678	0.6
67.05468	1.2
71.32722	1.1
71.33053	0.8
79.05489	1.5
81.07047	1.3
89.06300	0.7
91.05451	2.3
93.07029	1.0
95.08561	1.0
99.70727	0.7
103.05434	5.2
105.06966	0.9
107.04949	5.3
107.08563	1.5
115.05418	1.2
117.07008	1.4
118.04149	2.3
119.04888	0.9
119.08544	1.2
121.10130	0.9
123.04404	1.0
130.04095	1.8
131.04915	23.4
131.08549	1.0
141.06972	0.9
147.04407	1.7
152.06203	2.3
153.05484	1.3
153.06921	2.5
155.08572	1.1
159.04388	3.1
161.05978	0.9
163.07568	0.9
165.06989	6.8
166.07724	1.6
167.06996	1.9
167.08542	2.5
168.05701	1.3
169.06453	0.8
173.06102	0.8
176.04694	3.8
176.06009	0.8
177.06978	3.0
178.06274	1.4
178.07785	2.7
179.08559	3.3
181.06456	6.3
182.07249	5.1
183.08008	1.4
189.07024	1.2
191.07007	21.4
193.06496	2.7
194.07227	3.5
195.08107	4.5
196.08777	1.1
197.05870	0.9
197.09570	2.0
199.07553	1.2
205.06543	1.6
206.07204	2.1
207.08089	5.0
209.05974	4.3
210.06729	7.2
211.07535	3.1
216.04153	0.9
217.05064	1.0
221.05940	4.4
222.06679	2.1
223.03979	1.0
223.07541	6.6
224.08319	4.2
225.05531	1.2
225.09087	8.7
226.06096	1.2
227.07051	5.6
234.06799	1.0
235.07462	2.5
236.08011	0.9
237.05457	3.2
238.06291	5.9
239.07016	5.7
241.04826	1.3
241.08560	3.0
242.09332	1.8
249.05429	1.3
251.06981	2.7
252.07744	3.2
253.08582	12.2
254.09331	4.0
255.02814	3.3
255.06454	3.9
255.10031	0.9
256.07327	1.2
257.11880	1.0
259.06006	1.1
266.05695	1.4
267.06503	3.3
267.10132	10.2
269.08075	4.6
270.08859	10.1
271.09656	1.9
280.07053	0.9
281.07968	4.2
282.08743	0.8
283.02350	0.9
283.06085	1.8
283.09512	2.6
284.07016	1.5
284.10349	4.1
285.11130	12.4
287.05402	2.9
287.08698	1.4
295.09644	11.2
298.08307	4.4
299.09073	12.1
300.02502	1.1
313.10666	100.0
314.11383	13.4
315.04950	16.8
315.08395	1.8
316.05188	0.9
330.07254	5.9
330.10962	1.6
345.09576	24.8
345.13315	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1328
Annotation	Cerasidin
Peak:m/z	Relative Intensity
55.01855	1.2
55.05506	1.1
58.63439	0.6
63.20766	0.8
67.05492	1.0
68.99782	0.9
69.07024	1.0
79.05480	2.3
80.51292	0.7
81.03409	0.7
81.07022	0.9
83.01331	0.7
91.05463	2.9
93.07012	1.4
95.04939	1.5
97.06520	0.8
98.21638	1.5
103.05466	5.7
105.07027	1.4
107.04946	6.3
115.05447	1.0
117.03369	0.8
117.07007	1.2
118.04137	2.1
119.04925	1.3
121.06528	1.1
125.05900	0.9
130.04108	1.9
131.04916	22.3
132.98438	0.7
135.04410	1.7
135.08038	1.1
137.05920	1.2
139.03883	0.9
141.06995	1.0
143.08577	1.0
145.06485	2.5
145.10149	0.8
147.04395	1.7
152.06218	1.7
153.01752	1.0
153.05437	1.8
153.06958	2.5
157.16241	0.7
159.04385	3.5
161.06009	1.0
163.03899	1.8
165.06981	7.6
166.07785	2.1
167.06995	1.9
167.08545	2.5
169.06425	1.1
173.05959	1.4
176.04727	3.6
177.05545	1.2
177.07025	2.6
178.06339	1.5
178.07767	3.9
179.08524	3.3
181.04939	8.1
181.06511	5.8
182.07288	5.7
183.08023	1.3
184.69070	0.8
191.03375	3.3
191.07008	22.4
192.05684	1.0
193.06488	3.3
194.07266	3.8
195.08012	3.5
196.08818	1.0
197.05969	1.1
197.09682	2.2
198.06694	1.4
199.07558	1.1
205.06531	2.2
206.07307	3.0
207.08061	4.8
209.05887	3.8
210.06725	10.1
211.07542	4.7
213.08977	0.7
216.04160	1.2
220.05135	0.9
221.05994	4.3
222.06720	2.9
223.07515	6.9
224.08258	4.3
225.05673	1.2
225.09111	9.6
226.06154	1.0
227.07065	6.7
233.04358	1.8
235.07568	2.8
237.05460	2.9
238.06239	6.0
239.07028	6.0
241.08519	2.5
242.09288	1.6
243.06607	1.1
245.04349	0.7
249.05443	1.8
250.06053	0.8
251.06999	3.2
252.07689	3.4
253.08609	13.6
254.09312	3.4
255.02895	3.2
255.06537	5.7
256.07245	1.2
263.07135	1.4
266.05643	1.0
267.06509	3.1
267.10144	10.5
268.07526	0.8
269.04855	0.8
269.07968	4.8
270.08801	8.9
271.06894	0.7
271.09650	2.9
271.16843	1.6
281.08035	4.7
282.08868	1.7
283.02075	0.9
283.06366	1.4
283.09576	2.2
284.06879	1.3
284.10416	2.5
285.07971	1.2
285.11169	12.9
287.05423	3.0
287.08862	1.1
295.09610	8.7
297.07489	1.4
298.08313	3.8
299.09116	11.7
300.02579	0.8
303.08649	1.9
313.10669	100.0
314.11404	13.3
315.05005	13.1
315.08533	2.2
316.05606	0.8
330.07376	3.8
330.10831	1.0
345.09586	24.0
345.13345	27.0
346.10059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
50.30015	0.4
55.05480	0.5
55.31145	0.3
67.05456	1.0
69.07038	0.5
70.44617	0.7
70.45008	0.8
74.84493	0.3
79.05427	0.9
81.07008	0.9
83.04936	0.3
83.08591	0.4
85.02851	0.4
91.05431	0.6
91.96610	0.3
93.07011	0.5
95.04934	0.5
95.08555	0.8
97.06486	0.6
105.06932	0.6
107.04925	0.8
107.08592	0.3
111.04398	0.6
119.08556	0.4
123.04370	1.0
125.02270	0.3
126.03131	0.4
131.04825	0.4
131.08531	0.5
135.04350	0.8
137.02280	0.6
137.05943	0.3
147.04373	0.4
151.03804	0.5
153.01817	2.7
158.18712	0.4
159.04352	0.4
161.02290	0.6
161.05933	0.5
161.09378	0.4
163.03868	2.2
167.03377	0.8
167.07004	1.3
170.02068	1.0
176.04672	0.5
177.05394	0.5
178.02582	0.6
178.06204	6.0
179.03358	0.7
181.10022	0.4
182.07242	0.4
185.05809	0.4
191.07024	0.6
193.04877	0.4
203.03288	0.8
213.05431	0.5
216.04147	4.1
217.04875	1.3
227.03365	1.5
228.03990	0.6
229.04816	0.8
231.02788	0.9
231.06537	2.1
241.04776	1.9
243.06450	1.1
244.03662	3.1
245.04361	0.3
255.02834	15.9
256.03125	0.8
256.07327	0.4
259.05994	3.9
269.04388	3.8
271.05814	0.4
272.03036	1.3
281.04498	0.7
283.02344	2.6
283.05911	1.0
284.03122	1.6
284.06717	0.8
287.02225	0.6
287.05441	12.0
297.03986	2.6
298.04681	0.5
299.05484	3.7
299.08765	0.5
300.02524	5.1
300.05777	0.3
301.06903	0.9
311.05508	1.0
312.06271	2.0
313.07053	1.1
313.10672	2.0
315.04932	64.7
316.05194	2.1
327.04907	0.7
327.08636	0.5
327.12146	0.5
327.19470	0.5
329.06540	1.6
330.07272	18.9
331.07642	0.9
345.09644	100.0
346.09946	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58622	0.6
56.05027	0.9
58.19754	0.6
59.14338	0.5
69.24479	1.6
69.24899	4.0
70.06568	1.8
72.08142	2.6
78.32640	0.5
79.05487	0.9
81.04500	0.8
83.06087	1.6
84.04496	0.7
84.08110	1.2
85.02893	1.3
86.03539	2.1
86.09677	0.7
95.06072	1.6
97.02905	0.5
98.21465	1.0
104.04932	0.6
105.03341	0.9
105.05760	0.8
106.05004	0.8
106.06526	1.0
111.05540	4.8
117.05720	0.8
118.06542	0.8
119.01984	0.5
120.04468	3.1
120.05205	0.7
120.08093	0.6
123.04475	0.7
123.05500	1.3
125.05843	0.7
126.06602	2.3
130.06506	1.0
132.04437	27.7
132.08031	1.0
134.05995	4.8
137.02313	0.6
137.04680	2.5
137.05956	6.2
139.03932	0.6
147.04396	2.0
148.03752	0.7
148.04803	1.0
150.05498	5.3
151.03836	0.6
151.06126	11.9
158.05948	1.0
163.03906	0.6
165.05421	0.8
166.05855	0.9
166.07259	0.7
177.04121	0.8
178.06297	0.5
181.04951	0.8
194.06737	5.7
194.41609	0.5
195.07567	1.3
202.09718	1.9
203.08157	1.3
206.06891	0.6
216.04166	0.9
216.11195	1.2
230.09241	1.5
231.07617	1.6
232.10811	2.5
242.09288	5.9
244.03546	0.7
252.70827	0.6
255.02861	2.1
257.10330	5.9
258.70901	0.6
259.11865	11.6
269.29916	0.5
274.12866	0.6
284.11313	4.8
287.05338	1.7
300.02655	1.2
301.14014	1.0
302.12436	21.2
315.04922	10.5
316.05127	0.7
327.11929	3.2
330.07205	2.3
345.09546	9.5
345.13019	100.0
346.13516	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	345.0966
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
58.99451	0.2
71.05042	0.6
105.07024	0.2
123.43746	0.2
135.04433	0.2
151.03917	0.4
152.01028	0.3
153.01810	1.5
162.96924	0.3
163.03889	0.3
167.03397	0.4
167.04984	0.2
173.07881	0.2
177.05466	0.2
178.06288	0.9
178.07538	0.2
181.04945	0.3
192.04112	0.6
210.06673	0.2
213.05437	5.3
214.05943	0.3
216.04037	0.2
217.04913	0.3
221.13786	0.2
229.04916	2.1
230.05360	0.2
231.06494	0.4
241.04927	1.7
242.05620	0.3
243.06485	0.4
244.03633	0.5
255.02890	0.3
255.06378	0.5
256.07236	3.0
257.04425	1.4
258.05252	0.4
259.05991	2.4
265.20148	0.2
269.04434	1.5
272.03229	0.5
272.06747	2.8
283.05972	0.6
284.03531	0.5
284.06738	10.1
285.03802	0.5
285.06894	0.4
286.04669	2.5
287.05453	5.7
288.05930	0.3
298.04633	0.2
299.05420	0.7
300.02896	0.3
300.06192	1.4
301.03564	0.4
301.06985	4.0
302.07791	0.9
312.06192	0.2
313.07098	1.2
314.00479	0.5
314.04147	9.3
315.04898	3.9
316.05701	2.8
327.04993	1.4
329.06500	44.0
330.07248	18.7
331.07684	0.6
345.09631	100.0
346.09995	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	(+)-Usnic acid
Peak:m/z	Relative Intensity
53.03912	0.4
53.04186	0.4
53.65886	0.3
57.03403	0.4
67.05452	0.9
68.00665	0.4
68.99731	0.9
69.03352	3.8
69.07014	0.5
70.16107	1.5
79.05484	1.9
80.49147	0.4
81.03355	0.8
81.07005	0.6
83.01266	1.2
83.97437	0.4
88.71929	0.3
91.05402	1.1
93.03378	0.7
95.04893	1.1
95.08526	0.5
97.06464	0.9
103.05396	0.6
105.06976	0.6
107.04897	1.7
109.02807	0.6
109.06423	0.8
109.10078	0.4
111.04456	0.4
119.04881	0.7
123.04411	1.8
125.06007	0.5
131.04889	1.0
131.08475	0.4
135.04309	1.5
137.01393	0.5
137.02318	7.0
137.05890	1.0
147.04294	0.7
151.03853	1.8
160.64981	0.4
161.02274	1.3
165.05392	1.6
165.06857	0.5
175.03833	1.2
175.07303	0.4
179.03320	0.5
183.06450	1.3
189.05318	0.4
191.06932	1.1
193.04939	21.6
194.05287	0.7
211.05881	0.8
216.04030	0.6
217.04904	0.8
219.06766	0.4
229.04971	0.7
231.06369	0.6
233.04372	0.5
247.02281	0.4
255.02829	1.2
257.04483	0.4
259.06033	3.8
284.06714	1.4
285.03986	0.6
285.07516	0.6
285.10852	0.4
287.05371	1.0
299.09033	1.4
309.07559	1.4
311.05518	1.3
312.06128	0.5
313.03323	0.7
313.10617	2.1
315.04938	5.2
317.06619	0.8
327.08582	100.0
328.08896	4.0
330.07239	1.1
345.06363	2.4
345.09647	53.6
346.09897	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	345.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.7
58.51986	0.7
64.54443	0.7
70.56216	1.9
72.80054	0.6
84.63377	0.6
91.05795	0.8
96.42520	0.8
97.02874	1.1
98.97572	9.4
101.00877	0.9
116.98619	9.6
119.01891	4.1
130.94685	0.8
134.99644	5.6
137.02936	1.1
137.22032	0.7
142.03459	0.9
155.10149	0.7
158.97202	1.2
176.98457	0.7
177.00937	13.6
178.01044	1.5
182.99918	2.3
200.98250	3.0
201.00879	5.3
214.96559	3.1
219.01988	100.0
220.02138	9.2
221.02135	0.9
234.99916	1.2
242.03546	7.4
242.99474	1.5
243.01941	1.6
255.02017	1.8
256.97318	14.0
257.97110	1.4
258.99969	2.2
260.00137	1.1
261.03003	2.3
262.03159	0.9
263.03073	1.1
267.95471	0.7
273.03000	0.8
274.97443	3.6
277.00967	3.1
278.97433	0.9
279.94702	0.7
279.98151	1.9
280.97510	1.2
282.99966	4.3
285.00192	0.9
298.97763	40.7
299.97830	3.5
301.01031	5.3
302.01242	1.5
303.01190	1.3
315.04984	1.4
316.98825	1.1
317.43982	1.3
318.95267	1.5
319.43826	2.2
319.94489	1.0
321.99374	5.1
328.44446	2.7
328.94379	1.4
330.93427	0.8
337.65689	0.8
339.95639	1.0
345.09674	2.3
345.57877	0.9
357.96524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0602
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.30013	0.5
67.01868	0.9
68.99773	3.0
69.37035	1.1
69.37438	4.0
81.07007	0.6
91.05476	1.4
93.07043	0.7
93.38584	0.6
95.04954	0.6
95.08592	0.9
111.00750	0.8
112.78174	0.6
119.04880	0.9
123.04402	2.5
128.81439	0.5
137.02307	0.7
141.07040	0.6
145.02861	0.9
147.04350	4.4
151.03903	0.5
153.01808	17.9
153.06897	0.6
155.04926	1.4
157.06444	0.7
163.03838	1.0
165.01773	0.6
165.05424	2.7
169.06403	1.2
173.02260	1.3
178.06303	0.7
181.05063	0.7
181.06476	1.5
183.04396	3.4
185.05962	2.1
187.03828	0.9
191.03374	4.2
193.04984	0.7
197.05936	5.0
201.05418	1.2
203.06892	0.9
209.04286	0.7
209.06053	0.7
213.05408	2.5
215.03333	5.3
216.04105	0.6
217.05009	0.7
225.05437	6.6
227.07050	0.8
229.04990	3.7
231.06456	1.0
243.06575	3.5
253.04924	45.6
254.05373	1.2
255.02946	0.9
255.06630	1.0
256.07510	0.6
257.04395	1.4
258.05161	0.9
259.05960	0.9
269.04504	0.8
271.05957	16.3
272.06564	0.9
281.04401	25.6
282.05161	6.8
283.05859	0.8
284.06818	3.0
286.04459	0.7
287.05405	2.0
298.04736	0.7
299.05457	98.2
300.05774	2.8
301.07031	2.2
309.03857	1.8
313.10822	0.9
314.04025	2.0
315.04984	5.4
316.05661	0.9
327.04950	6.6
329.06476	12.7
330.07336	6.9
345.05960	100.0
345.09708	30.2
346.06360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2539
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
54.00793	0.4
55.05506	4.5
55.54277	0.4
56.05029	0.6
57.03443	0.5
57.05803	1.0
60.89049	0.5
60.92659	0.4
61.93238	0.4
69.07055	6.4
69.22681	3.1
69.23108	2.1
70.06581	3.5
71.04969	0.8
72.08147	48.5
73.08524	0.5
74.96333	0.5
81.07057	1.2
81.80019	0.5
83.08609	1.1
84.04472	1.0
84.08129	1.2
85.02898	1.2
86.09697	100.0
87.10030	0.9
91.05470	0.6
93.07034	0.6
94.06557	0.9
97.06551	0.7
99.52895	0.4
105.06979	0.7
109.10117	0.7
112.07619	0.6
115.33535	0.5
120.08063	0.8
123.04423	0.5
126.03745	1.2
127.02134	1.6
132.10220	2.2
136.07547	0.5
137.02321	1.8
137.05922	0.8
153.01912	0.7
162.05498	0.6
165.05511	0.5
172.04311	0.9
176.10510	0.5
182.11673	0.7
185.16476	43.9
186.16812	0.8
191.90063	0.5
198.05704	0.6
199.17992	2.5
213.15962	22.5
213.88045	0.5
215.10786	0.5
216.04311	0.5
216.06841	0.8
227.17555	0.6
231.17039	4.6
245.18634	2.1
255.03001	1.2
268.20862	0.5
282.15250	1.0
287.05521	0.9
299.05447	1.0
302.06873	0.8
315.05005	4.7
317.06818	0.6
326.10458	0.5
326.14197	1.0
327.04984	1.1
330.07385	2.1
344.07697	1.4
344.11685	0.9
345.05988	3.5
345.09738	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35341	0.4
55.01842	0.8
57.03420	1.0
61.02925	1.2
65.03914	0.5
69.03427	3.4
70.06575	1.3
70.65351	1.7
73.02917	0.6
81.03410	1.4
84.08117	0.5
85.02896	14.8
86.09696	0.6
87.91427	0.4
88.36293	0.4
91.03947	1.1
91.05454	3.9
97.02905	3.2
99.04471	0.7
109.02866	1.7
116.07050	0.8
119.04935	14.9
123.04427	1.9
127.03913	3.1
132.77838	0.5
144.06549	0.5
145.04932	3.5
147.04396	100.0
148.04750	1.8
165.05464	53.8
166.05705	0.7
180.08675	1.3
182.08084	0.7
193.81090	0.5
344.13342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60861	0.4
53.03935	1.2
55.01871	1.5
56.05009	0.5
56.96560	2.8
57.03424	2.2
60.04519	1.8
60.19049	0.4
61.02924	3.5
69.03415	8.0
70.06571	2.6
71.04989	1.0
71.25131	1.0
72.08160	1.1
73.02895	1.7
81.03410	3.4
84.04486	1.2
84.08135	1.5
85.02894	21.7
86.03248	0.4
86.09694	1.3
87.04467	0.9
91.03967	1.0
91.05470	15.8
92.07381	0.4
95.04941	0.7
96.04464	0.5
97.02290	0.8
97.02880	9.1
98.97563	2.8
99.04433	1.6
103.05447	1.1
107.04943	0.9
109.02883	2.0
110.97543	1.0
116.07069	0.6
116.98594	1.8
119.04924	39.8
121.06473	0.9
123.04434	3.6
123.99390	0.4
127.03912	2.9
128.98613	0.7
129.10167	1.0
133.04993	0.5
134.99722	0.5
136.07558	80.4
137.07898	1.2
139.03868	3.8
144.06528	0.4
145.04929	3.9
146.99739	0.7
147.04375	3.2
148.07552	0.5
150.07721	2.7
158.99609	0.7
161.01160	0.5
162.07552	0.8
163.03893	0.8
164.07050	2.4
165.05444	9.2
166.04892	0.6
170.99669	0.7
178.08543	2.2
182.08102	100.0
183.08391	0.7
184.06110	0.6
189.00642	0.6
219.01857	0.9
224.09198	3.5
237.02881	0.8
240.23419	0.4
260.09131	0.5
302.96951	0.6
308.11255	2.4
315.05023	1.0
326.12204	1.8
330.07269	0.5
344.07123	0.5
344.13248	1.9
345.09454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
55.05508	1.4
57.03430	1.1
58.25938	1.1
67.05489	4.3
71.04967	1.5
71.48412	2.3
72.60280	1.2
79.05482	2.6
81.07052	5.5
88.94430	1.2
90.99286	1.0
91.05465	2.9
93.07032	8.6
95.04981	1.8
95.08607	10.0
95.86321	1.1
97.06564	1.1
105.07023	10.0
107.08588	3.3
109.06506	2.6
109.10139	3.4
111.04400	1.7
111.08059	2.8
114.77921	1.1
119.08547	5.1
121.06541	1.3
121.10124	4.1
123.08044	11.6
131.08566	1.9
133.10089	1.6
135.08012	4.9
135.11703	2.2
137.09573	2.9
144.67674	1.0
145.10104	4.8
147.11655	2.7
149.09552	1.9
149.13191	1.2
150.06691	1.2
151.07524	100.0
152.07889	3.8
157.10234	1.1
159.11722	1.7
161.13258	5.0
163.11180	2.7
165.09029	1.3
173.09543	1.6
175.07521	2.0
175.14821	1.2
176.08194	2.5
177.09113	4.9
179.14351	1.4
188.08189	1.1
189.09081	5.1
191.10631	37.1
203.10631	4.5
205.12271	4.1
205.15813	2.8
217.12270	2.7
218.34410	1.0
240.23106	1.4
243.13850	1.8
273.18311	1.1
285.18439	2.2
325.21667	5.8
343.22668	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	7.5
53.62944	2.2
55.01857	4.8
55.05500	18.3
56.08402	1.8
57.03426	8.8
57.07060	9.7
59.04977	6.1
63.53994	1.9
65.03916	2.1
67.05495	31.9
69.03419	12.6
69.07063	11.4
69.87979	13.2
71.04982	21.0
79.05067	2.8
79.05486	30.0
81.03416	3.8
81.06602	3.0
81.07046	41.2
83.04977	5.3
85.06520	7.0
91.05457	38.1
93.07032	72.7
95.04955	61.9
95.08593	93.2
97.06509	22.2
103.05457	5.9
105.07019	100.0
106.07343	3.2
107.04948	3.4
107.07880	3.6
107.08582	59.7
109.06512	19.0
109.10123	8.7
115.05433	8.1
116.75172	2.1
117.07008	33.9
119.04927	2.2
119.08568	34.0
121.06487	18.6
121.10122	16.4
123.08061	28.7
125.06009	3.5
125.09614	2.6
125.89799	1.9
128.06204	5.7
129.07007	6.8
130.07762	21.6
131.08557	12.0
133.06476	6.8
133.10121	20.3
135.08029	29.8
135.11676	18.4
137.05930	4.4
137.09604	8.2
142.07764	3.1
143.08545	12.7
145.10110	96.3
147.08063	14.8
147.11674	7.4
148.08739	2.1
149.09595	8.6
151.07523	48.0
153.09111	4.1
156.09320	2.9
157.10091	7.9
159.08046	3.7
159.11690	9.6
161.09602	8.2
161.13242	7.5
162.10161	2.1
163.11154	72.2
164.11543	4.5
165.09079	23.8
167.08560	2.5
169.10101	6.5
169.55125	2.2
171.11655	6.1
173.09660	5.7
173.13239	5.3
175.11189	4.8
177.09120	5.5
179.07018	5.3
179.08492	2.6
179.10620	2.3
181.10075	3.4
181.12241	2.7
183.11664	4.6
185.13173	3.0
187.11145	5.9
189.09189	2.8
189.12735	10.6
191.14250	2.9
195.11603	2.7
197.13222	5.1
201.12730	3.5
203.14352	12.8
207.10069	3.7
207.13792	6.9
209.13245	2.6
209.15331	2.3
215.14291	5.9
217.12231	2.6
221.15349	33.2
225.12759	3.8
225.16388	2.5
233.15314	3.7
240.23160	5.9
241.16023	2.9
243.13707	3.0
263.16452	8.2
269.15356	3.2
274.19211	3.7
286.19263	7.5
287.20071	3.0
325.21817	10.3
343.11676	5.1
343.22626	83.9
343.26080	4.4
344.22989	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	6.7
55.01847	6.3
55.05504	18.9
55.44336	2.3
57.03430	12.0
57.07069	14.3
59.04987	7.2
65.03926	3.7
66.59216	2.2
67.05498	31.8
69.03413	13.7
69.07049	4.9
70.68268	5.4
70.68611	3.0
71.04989	20.8
74.64238	2.5
77.03946	2.5
79.05486	28.9
81.03394	4.2
81.07049	34.6
83.04964	7.4
83.08562	2.4
85.06539	4.6
91.05468	47.1
93.07036	82.0
95.04376	4.6
95.04958	74.3
95.07983	4.9
95.08595	98.4
97.06528	21.4
103.05463	5.9
105.07018	98.8
107.04914	6.9
107.07880	4.6
107.08582	64.5
108.08875	2.6
109.06496	21.0
109.10135	5.6
111.08045	2.4
113.06000	2.4
115.05408	9.0
117.07006	39.4
119.04980	2.8
119.08564	41.4
121.06474	20.1
121.10137	22.5
123.08063	30.0
125.05996	2.6
125.09605	2.9
128.06174	5.4
129.06973	8.8
130.07771	22.0
131.08583	13.2
133.06439	9.3
133.10138	20.3
135.08025	31.3
135.11693	20.4
137.06009	2.7
137.09621	7.0
141.06972	4.4
142.07730	4.7
143.08551	13.5
145.10106	100.0
146.10513	2.9
147.04405	5.3
147.08015	19.0
147.11652	6.3
149.09557	8.5
151.07529	56.8
153.09065	5.5
155.08511	6.2
156.09328	4.5
157.10094	12.8
159.08038	6.7
159.11726	12.6
161.06049	2.9
161.09555	10.8
161.13197	3.7
163.07492	2.7
163.11162	74.2
165.09093	22.0
166.07687	3.1
167.08598	2.9
169.10043	4.0
171.11580	3.8
173.09610	4.3
173.13182	4.5
175.11148	6.5
177.09108	9.0
179.07011	5.8
179.10657	2.4
181.10027	4.0
181.12175	4.7
183.11670	4.6
185.09608	2.9
185.13278	3.8
187.11131	5.4
189.09079	4.3
189.12776	13.3
191.10696	2.6
191.14320	5.0
197.13254	6.5
201.12668	4.7
203.14313	14.3
207.09999	4.1
207.11992	3.0
207.13901	9.1
209.13245	3.3
209.15289	4.6
215.14278	5.2
217.12173	4.1
221.15306	31.4
223.14873	4.2
233.15419	4.2
240.23183	4.3
241.15871	2.6
243.13683	3.8
250.30612	3.1
257.07980	5.2
263.16345	8.7
269.15366	7.8
283.16748	3.0
286.19348	6.8
296.94424	2.4
300.09894	3.8
300.48505	2.3
307.20584	3.6
325.21719	12.2
343.11716	24.6
343.22638	99.2
344.11874	3.5
344.23007	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.081
Annotation	Dipteryxine
Peak:m/z	Relative Intensity
53.34033	0.4
57.03449	0.4
67.05493	1.6
68.99782	0.5
69.03426	0.7
69.07047	0.6
69.27041	1.7
69.27467	1.7
79.05481	1.2
81.03412	0.9
81.07032	1.4
83.01337	0.7
83.04950	0.4
83.08615	0.4
85.02903	0.7
91.05459	0.9
93.07026	0.7
95.04939	1.5
95.08585	1.0
97.06497	0.7
99.08080	0.4
102.04649	0.6
105.07011	0.4
107.04896	0.9
107.08606	0.9
109.06505	0.5
109.10121	0.6
114.29339	0.3
119.04894	0.5
121.02853	0.8
121.06525	0.4
121.10157	0.4
123.04447	0.4
125.05983	0.4
127.03916	0.4
130.04054	0.4
133.10097	0.4
135.04385	2.1
135.08055	0.6
135.11554	0.4
137.02351	3.7
137.03339	0.6
137.06021	0.5
139.03839	0.5
141.01791	0.4
147.04395	0.5
149.06020	0.8
149.09801	0.4
151.03860	1.1
157.06508	0.3
161.02338	1.6
161.05934	0.9
162.06735	0.8
162.77094	0.3
163.03888	2.1
163.11156	0.7
167.03378	1.3
167.08609	0.4
175.07692	0.5
177.05460	1.5
179.03374	3.2
180.04036	0.4
181.04936	6.1
181.06451	0.2
181.12233	0.5
187.03781	0.5
191.03363	1.4
195.08031	0.7
195.46452	0.4
197.04472	1.1
209.04449	2.4
225.03976	0.6
241.08464	0.5
243.10124	0.4
243.69995	0.4
251.07460	0.4
255.10480	0.4
259.06094	0.9
269.08118	1.3
271.05957	0.8
271.48782	0.4
272.06726	0.6
283.05859	0.8
285.07550	0.9
286.08417	1.0
297.07541	20.2
299.05508	3.0
300.06262	7.9
300.09448	0.3
310.04626	3.7
311.09018	1.6
313.07022	6.8
314.07806	10.2
315.08432	1.3
325.07050	9.0
325.10547	0.4
328.25980	0.5
343.08087	100.0
344.08392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70459	0.6
53.03931	1.9
55.01855	2.1
55.05497	1.4
57.03416	3.3
57.07061	1.7
61.02925	5.6
65.03951	0.7
67.05490	1.8
69.03088	1.0
69.03421	14.9
69.07036	1.9
70.06583	1.8
70.32344	1.5
70.32745	1.4
71.04960	2.4
72.08131	2.6
73.02897	2.4
79.05476	4.9
81.03413	4.5
81.07051	9.2
83.04976	6.2
84.04483	0.8
84.08115	1.0
85.02897	33.4
86.09694	3.1
87.04445	2.3
87.10019	0.9
91.03937	2.4
91.05445	3.8
93.07023	9.8
95.04959	20.4
95.08572	2.3
97.02879	10.1
97.06512	2.6
99.04431	2.3
103.03910	1.0
103.05423	0.9
104.07104	0.7
105.07014	8.3
107.04946	1.3
107.08575	11.2
109.02855	3.2
109.06490	1.9
111.04424	1.1
116.07051	1.0
117.07006	2.9
119.08585	4.2
121.06506	4.3
121.10125	12.9
123.04409	0.9
123.70468	0.8
125.05961	10.0
127.03907	8.1
130.07762	2.8
133.06458	1.0
133.10068	1.6
135.08040	0.8
135.11665	8.4
137.05928	0.9
137.09618	1.1
143.08577	2.1
145.04951	8.4
145.10104	20.5
147.08002	2.6
148.08777	1.0
151.80504	0.8
161.09572	2.0
163.11160	100.0
164.11543	2.6
165.09004	1.6
167.06963	1.3
175.11174	1.5
177.12675	0.9
181.05023	1.5
181.12218	19.1
181.13733	1.4
182.12598	0.8
183.10109	1.5
187.11208	0.8
193.12137	1.0
205.12273	1.4
216.56566	0.8
218.77019	0.7
223.13341	1.6
307.15512	1.7
325.16342	0.8
343.12189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	5.9
55.01844	8.8
55.05508	22.5
56.84980	2.8
57.03415	11.3
57.07046	9.7
59.04965	8.9
63.52793	2.6
67.05498	30.0
69.03394	10.6
69.07043	10.1
69.20596	20.0
69.21024	14.0
71.04993	24.1
77.28816	3.1
79.05483	23.1
81.07047	32.9
83.04944	6.5
85.06525	3.9
91.05470	41.3
92.51734	3.2
93.07031	76.1
94.03518	2.8
95.04959	65.2
95.08600	87.5
97.06519	26.2
98.01002	2.6
105.07020	97.5
106.07278	2.9
107.08582	59.2
109.06492	16.5
109.10123	6.2
111.28490	3.0
114.81401	2.9
115.05402	9.6
117.06989	31.8
119.08575	29.7
121.06485	18.2
121.10142	19.1
123.08061	27.4
125.05938	5.4
128.06169	4.9
129.06958	9.1
130.07774	17.3
131.08546	11.8
133.06430	8.5
133.10106	19.5
135.08049	28.3
135.11667	18.1
137.05952	3.2
137.09579	4.1
142.07681	3.7
143.08516	13.3
145.10109	96.0
147.08025	14.8
147.11623	5.0
149.09581	11.0
151.07512	46.6
153.09050	3.6
155.08583	5.5
157.10109	8.0
158.10945	3.5
159.08069	4.4
159.11690	10.3
161.09557	10.2
161.13184	5.2
162.75508	2.5
163.11154	76.1
165.09113	24.0
165.79178	2.8
167.08653	2.6
171.11626	5.0
173.09587	4.1
173.13318	5.4
175.11171	5.1
177.09108	5.9
179.06999	5.7
181.06471	3.4
183.11588	4.4
187.11084	7.2
189.12700	10.9
191.10512	4.1
191.14386	3.7
195.11729	4.3
201.12721	3.3
203.14250	8.5
207.13669	5.9
213.12810	3.5
221.15286	27.9
233.15324	4.5
240.23186	3.9
243.13733	3.8
245.15282	3.4
263.16382	9.7
286.19250	4.9
287.16547	3.9
325.21399	8.4
343.11688	13.1
343.22610	100.0
344.22791	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	343.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	12.8
61.64212	2.3
66.47590	2.2
71.51305	3.0
90.39897	2.8
95.14213	2.2
98.97571	49.8
116.00240	2.7
116.98611	45.2
119.01898	3.1
134.99629	38.0
137.02979	2.5
139.58734	2.5
153.00726	7.0
174.97693	5.9
177.00978	13.3
178.00999	4.5
179.00693	4.3
183.06114	3.3
192.98697	10.3
194.98465	5.1
198.97546	3.7
201.07172	5.7
216.95473	3.9
216.98747	23.0
218.98503	11.6
219.01932	27.1
220.02032	5.8
221.01776	5.7
222.55557	2.4
232.96696	3.4
234.96379	11.8
234.99763	45.3
235.99893	11.3
236.99445	31.3
240.98630	3.1
243.00026	3.8
252.97487	12.4
253.00858	3.3
255.00230	2.8
258.01324	3.4
258.96890	4.1
258.99890	25.6
260.99689	7.7
261.03036	26.5
262.03665	2.6
264.98849	3.5
271.00143	2.8
274.97562	5.4
276.64276	2.6
276.97522	30.7
277.00879	32.0
278.01181	5.7
279.00714	9.2
282.99939	50.7
283.06226	6.8
284.00076	5.9
285.00009	4.4
292.98642	4.9
294.98523	8.6
300.97531	43.4
301.00989	100.0
301.97781	4.5
302.01099	16.3
302.04083	2.4
303.00714	8.7
304.00854	4.2
316.98581	3.4
317.99066	4.1
318.98596	91.4
319.01987	6.5
319.98575	7.0
324.02646	4.5
325.01111	9.9
336.99652	4.2
342.00165	4.3
342.98502	11.9
343.02029	50.2
343.08414	3.6
344.02130	9.3
360.99280	39.8
361.03201	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	343.045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98611	0.7
56.96559	36.7
57.03430	1.6
61.02895	1.1
67.70934	0.7
69.03412	3.0
70.06586	5.3
71.52335	1.1
71.95245	2.0
72.08156	1.3
73.02901	0.8
81.96037	0.8
84.08128	4.1
84.96024	3.3
85.02890	2.1
86.06082	0.9
86.09712	0.9
86.25754	0.8
93.42124	0.8
97.02904	2.4
97.99176	1.2
98.97576	100.0
109.02865	0.8
110.07173	1.1
110.97554	24.8
112.99131	3.0
113.03475	1.0
116.38026	0.7
116.98614	77.9
117.98967	0.9
119.01862	1.4
125.98643	1.8
127.03887	1.0
128.98595	36.8
129.10255	1.8
130.93306	10.1
131.00163	4.0
134.99644	37.9
140.00169	1.8
143.99646	1.8
146.99640	24.3
147.00806	1.4
148.94347	1.7
149.01247	3.6
150.98201	2.2
153.00703	5.9
158.01266	2.5
158.99666	2.2
161.01230	2.1
162.00842	0.8
162.99135	1.0
165.00745	2.8
168.99210	11.2
170.01230	1.2
170.99648	3.8
172.94359	3.4
174.95935	1.5
177.00751	3.5
181.06108	1.0
182.99649	3.3
186.00632	1.0
187.00262	86.5
189.00685	11.2
190.95340	6.9
201.00679	7.6
204.97130	2.3
205.01317	74.2
207.01758	3.5
208.96382	4.7
210.01846	1.9
211.00253	9.8
216.96907	1.3
219.01834	1.5
222.98128	1.2
223.00272	3.7
223.02263	0.8
228.02977	2.2
229.01305	55.6
231.01811	3.7
232.96445	4.2
241.01302	25.9
241.03638	1.5
243.02922	2.6
247.02386	14.9
248.96165	0.8
249.02805	7.7
250.97498	2.6
252.02797	1.3
253.01251	7.5
259.02307	7.5
267.03806	1.3
271.02365	4.3
272.95969	1.1
283.02420	2.5
290.97144	1.9
300.95569	1.9
301.03363	6.2
318.96509	3.5
319.04425	14.5
336.97574	1.0
337.05411	7.0
342.06067	1.0
343.04483	24.1
343.11203	1.3
343.19910	2.5
347.34048	0.8
360.07104	0.9
361.05508	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39325	19.6
55.05497	50.1
57.07048	24.9
61.46043	18.1
67.05490	100.0
68.80939	22.9
69.07053	51.2
71.41907	46.0
77.00894	25.6
77.15663	18.5
78.70977	18.7
79.05473	56.8
81.07050	89.6
83.04987	22.3
91.05476	49.6
93.07037	71.6
95.08590	49.8
105.07014	82.0
107.08585	63.0
109.08527	25.6
109.10145	52.6
110.18758	18.6
133.10071	33.9
135.11641	45.6
145.10124	32.8
147.11623	25.9
151.07536	79.4
163.11163	26.2
182.42783	20.7
230.24847	32.7
275.20230	28.1
300.77289	22.3
301.20172	25.8
302.34991	22.4
319.21191	77.1
337.22073	48.6
342.37259	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55863	3.5
53.03935	4.3
55.01852	9.9
55.05503	61.7
57.03428	4.4
57.07066	2.8
67.05489	28.3
69.03404	7.8
69.07060	45.3
69.27896	34.3
76.89282	3.5
79.05481	37.2
81.07045	29.8
82.05421	2.7
83.04964	6.9
83.08608	40.6
84.27423	3.4
87.04491	3.7
88.07645	3.3
91.05476	21.8
93.07035	34.8
95.04978	8.1
95.08594	16.4
97.06517	15.8
97.10159	72.4
100.37247	3.1
105.07014	31.1
107.04926	5.3
107.08580	97.7
109.06489	8.7
109.10119	5.8
111.08045	5.8
116.18978	3.6
117.07011	5.5
119.08556	12.7
121.10130	4.1
125.09615	83.6
126.30508	3.7
131.08531	11.1
133.10088	14.0
135.08023	20.9
135.11667	7.5
143.08516	3.4
145.10094	19.9
147.11661	8.6
149.09601	9.9
151.07561	3.9
153.09064	13.9
157.10162	4.4
157.12230	11.7
159.11679	11.4
161.13185	5.4
163.11145	9.1
173.11713	4.1
173.13185	6.6
177.12799	4.8
185.13168	6.8
187.11215	4.9
203.12749	100.0
203.14230	4.2
236.43275	4.4
239.17914	5.2
255.17381	3.5
257.19019	18.8
272.20032	5.6
275.20038	56.0
289.21658	18.9
307.22720	9.5
342.27692	21.1
343.11801	7.7
343.18750	8.5
343.22626	7.3
357.79166	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	341.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	4.4
67.05485	10.9
69.07059	2.5
69.93192	6.0
69.93600	11.4
71.04967	3.6
77.60072	2.4
79.05466	8.4
81.07042	14.9
83.08633	2.6
85.06535	16.7
85.20139	2.4
91.05461	8.1
93.07038	17.9
95.04964	3.4
95.08585	20.0
96.50062	3.3
105.07010	5.9
107.08571	8.7
109.06515	2.9
109.10125	7.3
113.09606	4.4
117.06965	3.0
119.08540	10.3
121.06462	3.2
121.10108	6.6
123.08015	10.2
129.06949	4.1
131.08496	5.4
133.10121	13.9
134.10448	3.1
135.07996	7.6
143.08595	2.9
145.10120	14.0
149.09602	3.1
151.07527	100.0
151.11153	4.6
152.11430	2.8
157.10133	3.7
159.11652	6.2
161.13255	3.3
165.09061	4.2
167.49768	2.8
171.11606	3.5
173.13249	3.3
175.07503	5.9
177.09117	3.6
181.09843	2.6
185.09656	3.0
189.09061	16.2
191.10645	12.4
191.14423	2.9
201.09088	10.6
203.10643	5.9
203.14381	3.3
211.11052	2.8
215.10654	10.7
217.12175	5.6
226.09926	4.3
227.10634	6.2
229.12286	16.0
241.12187	9.1
243.13762	5.6
253.12222	4.8
256.14557	5.9
257.15363	8.6
265.15881	6.0
267.13828	5.0
271.16940	2.9
283.16962	17.3
301.48004	2.9
323.19980	11.6
341.21042	56.0
362.64862	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.05503	10.8
57.03440	2.9
57.07068	18.6
58.44081	1.6
58.80956	1.9
61.02928	2.4
69.03442	5.9
69.07062	3.0
70.06584	57.9
72.08161	5.6
81.03432	4.8
81.07069	1.9
83.08628	6.9
84.08109	2.4
85.02904	15.7
86.09705	17.2
89.06025	46.1
97.02930	4.0
99.05563	3.5
101.09630	20.6
107.07062	45.3
107.07745	3.2
109.02892	2.6
130.08672	7.5
133.30675	2.1
137.05971	2.5
145.04936	3.2
163.13281	100.0
172.04295	3.9
180.06607	6.1
183.14935	12.4
194.66748	2.0
195.11340	9.8
211.14464	6.6
229.15402	10.8
229.42451	2.2
237.09407	1.9
284.06967	1.9
297.07263	2.2
302.04257	4.1
315.05194	2.4
342.06219	6.2
342.14111	2.2
342.23898	3.4
343.08008	3.0
357.39688	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.7
55.05507	37.3
67.05506	84.0
67.91606	13.0
69.07047	54.8
70.07376	38.2
70.07767	26.2
74.43197	12.7
79.05494	52.9
81.07048	100.0
82.96058	15.2
83.04979	24.7
91.05444	28.5
91.60734	13.6
93.07043	55.3
95.04957	24.2
95.08598	59.6
98.09631	15.2
105.07014	45.0
107.08575	49.7
109.10163	14.4
114.13211	14.3
117.07014	17.8
119.08575	38.9
121.10165	17.4
123.08047	17.7
133.10077	23.0
135.11653	27.9
147.11705	17.7
149.16121	15.0
157.10020	17.2
159.11710	22.4
176.90250	15.4
195.13722	14.2
205.12292	14.7
271.95752	16.8
275.20026	31.7
296.42719	13.0
300.23721	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03949	1.4
55.01854	1.5
55.05505	2.3
59.47470	1.2
64.65524	1.2
67.05497	4.1
69.03423	2.7
69.07050	2.5
69.34180	1.7
69.34573	10.8
70.06618	1.6
71.04980	5.1
72.91376	1.3
79.05489	3.8
81.03422	1.8
81.07053	7.7
82.76852	1.1
83.04961	2.3
83.66040	1.1
84.08112	1.8
86.09704	3.0
91.05484	4.5
93.03423	1.8
93.06992	2.9
94.04187	2.6
95.04952	2.7
95.08588	3.2
95.19496	1.2
97.02884	1.5
103.05465	2.5
105.07014	4.3
107.04938	8.7
107.08587	2.9
109.06517	3.7
109.10149	3.2
111.04430	1.8
115.05413	3.2
117.03323	1.1
117.07006	2.9
119.04911	2.7
119.08572	2.5
121.10138	2.0
122.03633	6.6
123.04418	2.6
123.11684	2.1
128.06232	1.5
129.07013	6.4
131.04927	4.2
131.08551	1.2
133.02859	8.1
135.04399	1.3
137.05969	100.0
138.03154	1.5
143.04929	2.2
143.08594	1.2
144.05695	2.7
145.06479	4.8
147.04414	2.7
147.08084	2.0
149.05980	4.4
151.03880	4.0
151.07547	5.8
153.05460	9.4
155.06125	1.8
156.05739	2.0
157.06493	15.0
160.05171	5.1
161.05942	2.0
163.07529	4.4
165.05498	4.2
165.06911	2.1
167.07040	1.7
171.07997	1.5
172.05194	4.7
173.05962	1.5
174.06744	7.6
175.07524	17.0
177.05429	9.0
177.09119	1.5
178.07681	1.7
179.07094	3.0
180.06538	2.7
187.07513	28.1
189.09077	11.4
191.07024	1.6
191.08549	4.3
196.05205	4.5
197.06017	1.9
199.07562	4.4
201.05426	7.5
202.07707	5.6
203.08530	13.3
205.06526	3.3
205.08528	2.9
206.07056	1.9
207.08066	2.1
211.07468	16.0
212.04610	1.7
213.05475	3.0
217.08545	12.3
218.07214	2.1
219.08037	9.6
220.08881	7.1
221.05997	1.6
221.09444	1.6
222.06718	1.6
223.07550	1.3
225.05563	1.8
227.06989	15.2
228.07867	2.2
231.08031	12.5
232.08821	2.5
233.06021	3.6
233.09485	1.9
234.06761	2.7
235.07474	3.6
236.08189	1.4
237.09105	4.5
239.07016	13.5
240.07770	11.9
241.04982	1.8
241.08615	1.7
247.07494	7.1
248.08307	19.9
249.09030	3.9
250.06233	1.9
251.07137	1.4
251.10684	5.4
253.08611	3.0
255.06517	9.9
256.07318	7.5
259.07498	5.8
260.08206	3.2
263.07077	4.7
263.10651	15.4
264.07764	2.6
265.08594	9.5
268.07254	4.9
269.07895	1.9
270.08829	24.8
271.09616	39.5
276.07834	10.0
277.08585	5.9
279.10178	9.2
280.10785	1.5
281.07971	3.3
281.11563	2.7
282.08740	1.7
283.09665	13.8
291.10120	49.0
292.10812	5.0
293.08212	5.9
293.11279	2.0
295.06308	1.4
295.09781	2.8
296.10394	4.6
297.11295	3.2
305.11765	1.6
308.10385	7.1
309.11133	3.7
311.12881	9.8
313.14316	3.4
323.09384	2.5
323.12778	32.4
324.13068	1.3
341.06479	2.1
341.10089	4.7
341.13846	20.6
342.14233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05507	2.9
63.11654	1.0
65.03938	1.6
65.40767	1.1
67.05461	1.4
69.07052	1.5
71.04986	5.5
73.50486	1.1
77.34779	1.3
79.05490	2.2
81.07051	4.2
83.08645	1.8
85.61723	1.3
91.05416	5.5
93.07050	1.9
94.04174	4.0
95.04966	2.6
95.08585	2.6
100.11266	7.1
103.05453	1.6
105.07052	1.6
107.04944	3.6
109.06510	3.1
111.04424	2.7
115.05451	3.4
119.04934	4.1
119.08578	2.6
122.03629	8.6
125.06027	1.6
128.06216	1.8
129.07024	7.8
131.04915	3.2
133.02843	8.4
133.06444	2.2
137.05968	100.0
138.06351	1.5
143.04958	2.3
143.08536	1.6
144.05717	4.4
145.06453	2.8
146.07208	1.9
147.04395	2.0
149.06003	3.9
151.03932	3.6
151.07501	10.0
153.05464	1.7
153.67482	1.1
153.85760	1.1
157.06471	4.5
158.07297	1.5
159.04407	1.7
159.07985	1.2
160.05205	6.4
161.05971	3.7
162.03072	1.2
163.07550	3.9
165.05467	5.5
167.07097	1.4
168.05678	2.1
172.05173	5.1
173.06062	1.6
174.06746	8.3
175.07545	20.6
176.08119	1.4
177.05460	7.8
177.09085	3.3
179.07062	4.3
181.06398	1.2
182.15361	6.4
187.07526	31.5
189.09077	13.4
191.08517	2.7
196.05179	7.2
197.06000	3.0
199.07532	4.5
202.07790	5.0
203.08575	14.3
203.10533	1.8
205.06502	4.3
205.08484	1.8
208.08865	1.8
210.14838	6.4
211.07506	25.1
212.04662	2.8
213.05432	4.6
213.09053	1.4
217.08563	13.3
219.07988	10.2
220.08752	8.1
221.09589	2.7
222.06841	1.8
225.05437	3.1
227.07018	20.5
228.07759	3.8
231.08012	16.6
232.08783	4.2
233.05908	3.7
233.09645	2.6
235.07492	2.6
236.08188	2.0
237.09015	1.9
239.07030	16.7
240.07791	15.6
241.04932	2.7
241.08574	3.3
245.09653	1.8
247.07545	7.5
248.08348	27.5
249.08965	2.5
251.06866	1.8
251.10707	4.5
253.08612	3.6
254.09326	2.2
255.06509	15.4
256.07306	10.3
259.07513	7.7
260.08224	1.8
261.08963	2.0
262.06229	1.6
262.09695	1.1
263.07040	2.0
263.07523	2.1
263.10657	20.6
264.07816	4.0
264.10910	1.8
265.08554	8.0
268.07358	4.8
270.08823	29.7
271.09634	50.6
272.09930	1.2
272.12817	1.2
276.07791	14.1
277.08527	5.1
279.10071	11.2
280.10965	2.5
281.08231	2.2
281.11676	3.2
282.08801	1.4
283.09674	12.2
285.11093	1.3
291.10135	60.7
292.10736	3.8
293.08109	7.0
293.11200	1.4
295.09787	1.4
296.10379	6.3
297.11215	4.5
305.11703	1.7
307.09686	1.3
308.10373	7.7
309.11337	1.6
311.12689	10.4
313.14267	2.6
323.09656	1.3
323.12756	36.3
324.12906	2.0
326.27838	2.1
341.06705	2.0
341.13751	26.1
341.20908	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	341.138
Annotation	Arugosin I
Peak:m/z	Relative Intensity
55.01867	1.4
63.38791	0.6
65.03934	25.1
68.99773	3.1
69.07066	9.4
69.86885	3.0
79.05478	1.6
81.03380	0.9
89.03903	4.9
93.02827	1.3
93.03396	21.7
95.01299	1.4
95.04949	3.2
98.20812	0.5
107.04936	2.4
111.04423	5.7
117.03373	8.1
119.04923	1.1
119.08619	0.6
121.02855	23.1
123.04401	3.5
123.90497	0.5
129.07019	0.6
135.03410	1.1
135.04399	14.2
137.02327	2.5
137.05974	1.3
139.03876	1.3
145.02827	9.9
147.04401	3.5
147.08141	0.6
149.02328	35.7
153.06953	1.1
163.03888	60.1
165.06932	1.0
165.12770	0.6
167.03387	80.4
168.03714	0.9
169.06500	0.7
175.03870	1.4
181.06462	1.6
183.08098	0.7
187.07532	0.7
197.06015	2.0
203.06984	1.0
203.14966	0.6
205.08574	12.9
211.07500	1.7
221.05945	1.5
221.08069	0.9
225.05437	1.4
231.10188	0.8
239.07007	3.5
243.06584	1.0
249.05478	1.4
255.06523	0.8
257.08014	0.8
267.06522	15.0
269.08044	1.0
272.06808	1.1
273.07529	4.2
275.04608	0.6
285.07556	26.9
323.12726	3.3
341.13806	100.0
342.14117	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	341.1379
Annotation	Glepidotin B
Peak:m/z	Relative Intensity
55.01854	3.8
55.05494	0.8
59.04979	0.9
65.45087	0.7
67.01858	0.9
67.05490	1.9
68.99787	2.2
69.07055	3.2
71.52810	1.1
79.01829	1.7
79.05475	2.4
81.03407	2.1
81.07047	1.8
91.05441	2.4
92.99751	0.9
93.07012	1.4
95.04955	2.6
95.08581	1.5
99.00799	1.1
105.07018	2.3
107.04943	3.1
109.02853	1.1
119.04903	2.5
119.08604	1.4
121.06489	2.9
129.07001	1.2
133.10072	1.2
135.04402	1.1
137.02283	5.2
137.05942	1.8
141.01794	7.8
145.10103	1.5
147.04401	6.5
149.02313	0.8
151.03926	2.9
163.03894	1.2
165.01816	81.9
179.03400	1.9
183.02869	100.0
184.03195	1.5
191.03369	4.7
221.08006	1.8
273.07437	2.3
279.10242	1.1
285.07532	74.5
286.07956	2.1
341.10126	2.2
341.13754	7.7
341.17529	1.6
341.20993	1.8
341.24786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone
Peak:m/z	Relative Intensity
55.01860	1.3
55.05484	0.9
57.03447	1.1
59.82823	0.7
61.02909	0.8
65.03931	6.8
67.05483	1.9
68.99781	19.1
69.03398	1.0
69.78424	3.1
69.78844	2.1
70.53818	0.9
73.02897	1.2
79.05477	3.3
81.07025	1.6
85.02871	1.4
85.06509	0.8
91.05464	25.7
93.03378	3.0
93.07013	2.2
95.04935	2.4
95.08592	1.6
103.05406	1.6
105.07026	12.7
107.04948	8.7
107.08572	9.8
111.04433	1.3
111.45311	0.8
115.05444	1.2
116.06267	1.0
116.07027	1.3
117.07001	6.3
119.04924	45.6
119.08579	7.8
120.25954	0.7
121.02861	6.2
123.04445	1.6
128.06171	2.7
129.06979	16.7
131.04909	0.9
131.08571	1.0
132.05673	1.8
133.02774	1.4
133.06470	3.2
135.08046	4.2
137.05954	1.6
145.06482	1.1
147.04393	100.0
147.08018	14.1
148.04741	1.6
149.02313	5.8
149.05867	1.4
157.06438	4.1
159.07974	1.4
160.05176	9.5
161.02328	4.8
161.05901	1.6
163.03903	5.3
167.03386	18.6
171.04388	1.1
175.03883	2.7
175.07509	15.6
175.08981	0.8
179.03403	1.6
185.05948	2.3
188.04703	1.0
193.04950	1.3
203.07010	24.5
211.07536	1.4
217.05054	1.0
219.08029	0.9
221.08058	60.0
222.08453	2.1
227.07054	2.3
229.08669	1.6
247.09694	2.3
251.06624	0.9
255.06470	2.6
259.63159	1.1
269.08035	19.1
281.08057	1.3
281.11639	1.0
323.12732	66.8
324.13058	2.5
340.65695	1.0
341.10605	2.4
341.13776	63.0
341.24683	2.1
342.14105	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	340.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01852	9.2
57.03426	7.3
58.57779	2.6
63.76773	2.4
66.19740	2.6
68.99809	3.1
69.03416	45.0
70.06582	20.7
70.36764	11.4
70.60779	2.8
71.04980	5.4
72.08147	6.2
73.02913	7.6
81.03403	32.2
84.04492	3.3
84.08120	3.7
85.02891	100.0
86.09708	9.3
87.00815	47.9
88.59515	2.7
89.03905	5.0
97.02887	46.3
98.03239	4.3
98.21450	4.1
99.04452	19.3
103.03882	3.2
105.01855	79.9
107.04943	43.5
107.70596	3.1
109.02845	29.1
110.03179	2.8
110.07169	5.7
117.03349	12.0
118.03682	8.6
119.04929	2.9
120.08099	3.8
127.03896	85.5
128.04248	5.5
129.01848	5.4
130.08534	2.9
136.04817	3.0
137.05981	8.1
145.02864	25.9
145.04945	35.6
146.03171	26.2
147.04356	6.8
149.05927	3.6
150.06256	4.0
159.02852	11.1
177.05428	38.3
178.05800	57.2
183.14969	3.0
189.03960	3.2
193.95938	3.1
202.55486	3.3
207.06450	4.6
207.08125	3.8
213.03822	5.1
227.13960	3.8
231.04919	20.2
235.07489	5.6
249.06148	4.4
263.07062	4.0
267.10300	4.1
295.09543	7.1
341.10190	8.2
359.02573	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08882	1.2
56.96307	1.5
56.96563	23.2
62.72050	1.1
69.73895	8.7
71.95244	3.8
91.05791	1.6
97.99172	1.7
98.21496	2.1
98.97574	92.6
104.24583	1.5
104.30408	1.2
116.98611	79.5
117.99018	1.2
119.01916	5.2
126.99261	1.2
127.79210	1.2
132.06024	1.1
132.96631	2.0
134.01244	1.6
134.99635	56.9
135.00670	3.0
137.02998	2.0
140.00162	3.5
153.00687	9.4
158.01224	3.1
166.37408	1.2
172.94341	1.6
174.97670	13.6
177.00957	8.1
178.01013	2.1
179.00682	1.3
190.95406	3.0
192.98726	12.8
198.97731	2.3
201.00874	1.8
208.96681	2.6
214.95593	4.4
216.98677	30.8
217.98941	1.7
218.03564	1.3
218.98630	1.7
219.02000	32.8
220.02109	3.4
221.01740	1.4
232.96635	13.6
234.99742	61.3
235.99922	5.2
236.99574	2.6
240.98752	2.6
250.97722	13.6
253.00832	2.9
256.96643	10.6
258.99768	16.5
260.04697	2.2
261.00421	2.0
261.02887	11.4
262.03241	3.3
263.02835	5.0
272.94461	4.2
274.94449	2.1
274.97665	37.7
275.97812	3.1
277.00824	24.5
278.01254	1.6
279.00937	2.4
280.33945	1.2
280.96677	3.9
282.99893	1.6
288.92142	2.4
290.95462	2.4
292.95569	1.4
292.98657	7.3
298.97708	51.6
299.05878	8.4
299.97983	5.1
300.02173	1.3
301.01166	3.4
302.01117	2.6
316.98776	100.0
317.98755	8.3
323.90802	3.2
324.92154	2.7
326.44214	2.6
326.93701	3.3
332.91180	9.3
333.41330	6.8
333.92300	4.8
334.41513	2.4
334.99765	2.8
336.42996	2.8
336.92957	2.4
340.00302	5.4
340.98749	15.7
341.91782	5.4
342.41876	1.7
342.91699	5.9
345.43338	2.2
358.99777	39.8
359.03760	2.7
359.99966	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.01863	3.2
68.99777	1.1
69.32760	0.6
73.76842	0.4
74.37410	0.5
79.01845	0.9
79.05485	0.8
81.03410	1.2
81.07045	0.9
83.41626	0.4
84.39429	0.5
89.61194	0.4
92.99792	0.6
95.04930	0.9
95.08530	0.8
97.02863	1.3
99.00837	1.0
99.04391	0.5
107.04944	2.1
107.08554	0.5
117.06969	0.6
121.06441	1.6
137.02361	1.8
141.01805	6.9
164.45012	0.5
165.01817	89.9
166.02168	1.7
177.08980	0.5
179.03403	1.4
183.02870	72.5
184.03221	1.1
189.09009	0.9
191.03366	3.0
205.08621	3.3
221.08014	0.6
225.18414	0.5
243.06450	1.0
267.06528	0.6
284.06857	0.7
285.07541	100.0
286.07861	2.7
299.09140	2.1
341.13809	8.1
341.20709	0.5
341.24738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	2.0
55.01863	1.9
55.05498	16.7
56.96544	1.7
57.03429	7.0
57.07053	3.1
65.03922	3.2
67.05500	92.7
69.07061	14.9
71.04974	2.9
71.26400	3.6
79.05485	47.6
81.03397	2.0
81.07048	100.0
82.07375	1.6
83.08592	7.2
85.06506	2.2
91.05464	25.8
93.07035	52.8
95.04939	4.3
95.08598	94.1
96.08920	2.6
97.06512	2.3
97.10149	3.2
99.08027	1.7
105.07027	19.4
107.08588	41.3
109.06487	2.5
109.10149	53.0
111.08063	2.0
117.07003	9.7
119.08559	18.4
121.10140	36.3
123.08059	2.9
123.11687	20.2
131.08560	18.6
133.10103	16.1
135.11679	26.4
136.11993	1.6
137.13234	5.4
139.11145	2.8
145.09096	1.4
145.10121	21.3
147.11671	12.7
149.09705	1.7
149.13226	17.5
151.11241	2.9
153.36642	1.3
156.24004	1.5
159.11674	17.2
161.13210	4.8
163.14868	7.8
173.13254	15.0
175.14687	2.0
177.05455	4.0
185.13213	1.6
187.14775	6.6
191.14198	1.7
201.16405	4.0
205.15825	2.1
219.21025	5.7
229.19513	24.9
247.20549	83.8
248.20943	5.2
265.21530	6.9
282.58182	1.4
283.16907	2.5
320.62009	1.6
321.24115	9.3
339.12219	1.6
339.25391	18.4
340.25562	2.0
354.91632	1.5
360.63403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03924	2.6
55.01844	1.8
55.05505	15.0
57.03424	8.2
57.07064	5.0
60.74382	1.1
61.62058	0.9
65.03915	2.9
67.05494	98.1
68.05821	1.5
68.99776	5.1
69.07056	14.1
71.04960	2.9
71.08609	1.7
71.53120	1.7
79.05480	42.0
81.07043	100.0
81.78442	1.2
82.07352	2.2
83.04948	2.3
83.08595	6.8
85.06499	3.9
89.03869	2.6
91.05466	25.2
93.07030	58.9
94.07357	1.3
95.04938	3.5
95.08592	89.1
96.08903	2.1
97.06520	2.4
97.10145	2.6
98.41965	0.9
99.08071	2.4
99.80644	1.0
105.04507	1.3
105.07016	22.0
106.99863	1.1
107.04932	2.2
107.08577	45.2
108.08918	1.7
109.06484	2.3
109.10137	53.4
110.10455	1.4
111.08019	2.9
113.09633	1.3
117.03360	3.0
117.07005	9.0
119.04891	1.5
119.07802	1.6
119.08572	17.8
121.10130	38.2
123.04377	1.9
123.08058	2.6
123.11684	18.7
125.09627	1.4
129.06985	3.3
131.08542	20.3
132.79123	1.1
133.06465	1.1
133.10098	16.2
135.04417	7.0
135.08063	2.2
135.11673	32.7
136.12036	1.5
137.09547	2.4
137.13206	3.7
139.11166	1.9
145.02802	4.7
145.10110	22.8
147.08049	3.4
147.11659	13.8
149.13235	21.7
151.11116	2.7
151.14839	1.6
153.12764	1.4
159.11679	17.7
160.05159	1.7
161.13255	6.7
163.03893	25.3
163.14828	6.4
164.04265	2.0
165.12689	2.3
173.13242	16.2
174.39664	1.0
175.07481	3.8
175.14790	1.3
177.12703	1.2
187.14774	5.7
201.16434	2.2
203.07024	6.9
219.21033	6.9
221.08029	15.3
222.08345	1.6
229.19489	26.2
229.21791	1.3
242.56360	1.0
247.20541	93.7
248.20872	4.4
265.21631	8.1
283.05917	1.9
283.16965	1.6
321.24216	11.8
339.12225	38.2
339.25314	23.1
339.29462	2.4
340.12561	5.4
340.25681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Crotalarin
Peak:m/z	Relative Intensity
55.01863	0.8
65.03937	0.2
66.05337	0.1
67.05491	0.1
68.99806	0.4
75.52483	0.1
80.43497	0.1
83.87784	0.1
91.05439	0.3
93.07009	0.2
97.02879	0.2
98.21519	0.4
99.00809	0.2
101.52906	0.1
119.04932	1.9
121.02854	3.8
123.00797	0.5
137.02333	0.9
141.01814	3.1
159.94438	0.2
165.01817	23.1
166.02162	0.4
176.80817	0.1
183.02876	9.9
184.03285	0.2
218.67244	0.1
283.05972	100.0
284.06323	4.0
339.12210	8.1
340.12592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.02387	0.4
53.03939	1.2
55.01863	2.0
55.05505	0.9
57.03424	1.3
61.02919	0.6
63.02371	0.6
67.05499	1.6
69.03423	10.7
69.07064	0.6
69.64631	0.7
69.65049	1.3
70.06589	0.3
71.04977	1.2
73.02904	1.3
79.05473	0.9
81.03407	8.7
81.07045	2.0
83.08607	0.4
85.02896	2.9
86.09745	0.4
86.98563	0.3
89.03906	7.4
91.04982	0.3
91.05466	1.9
93.07027	1.4
95.04958	0.9
95.08595	1.2
97.02887	5.6
98.20753	0.4
99.04446	9.0
101.02363	1.4
103.05464	0.4
105.07007	1.0
106.04135	0.4
107.04976	0.7
107.08607	0.9
109.02869	8.2
109.10146	1.3
111.04455	0.3
117.03368	22.9
119.04920	0.7
119.08517	0.4
121.10117	0.9
123.11678	1.4
127.03903	15.2
133.10100	0.5
134.03612	1.9
135.04405	1.7
135.11639	0.4
137.05972	0.5
137.09583	1.3
145.02831	52.4
145.04794	1.3
146.03212	0.8
147.04427	1.0
148.03696	0.3
149.05974	7.7
162.03056	0.4
163.03873	1.3
165.09108	1.1
167.75241	0.3
175.03889	0.9
177.05450	100.0
178.05869	1.5
186.05482	1.4
189.05388	0.3
189.06911	0.4
195.06511	2.0
195.07999	0.4
207.06500	1.4
233.90236	0.4
249.07607	0.5
251.10741	0.3
263.06961	0.4
264.07874	0.5
279.10104	0.4
303.23322	0.5
307.09592	1.2
321.09637	5.8
321.24182	0.4
339.11652	1.9
339.24658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05575	0.2
53.03939	0.4
55.01861	0.7
57.03443	0.3
67.05498	0.4
68.40852	0.2
69.03420	1.8
69.07044	0.4
71.01345	0.2
71.05004	0.3
71.12092	0.6
72.08143	0.9
79.05495	0.5
81.03411	2.4
81.07040	0.5
83.04957	0.5
84.04505	0.5
85.02867	1.5
89.03896	4.8
89.16826	0.2
91.05455	1.7
93.07011	0.6
95.04945	0.4
95.08585	0.5
97.02876	4.8
97.06506	0.3
99.04446	0.6
101.87675	0.2
103.05518	0.3
105.07001	0.5
106.04156	0.3
107.04920	0.2
109.02860	1.5
109.06544	0.4
109.10178	0.5
117.03361	16.6
119.04890	1.5
120.08121	0.3
121.02851	0.3
121.06532	0.3
121.10159	0.3
123.04380	0.3
127.03870	1.0
131.04854	0.3
134.03592	1.3
135.04399	1.7
137.05997	0.5
145.02823	47.6
145.67047	0.2
146.03156	0.3
147.04375	1.7
149.05956	6.8
150.06406	0.3
161.06009	0.3
162.03033	0.3
163.03879	1.0
167.64958	0.2
168.10188	0.3
175.03856	2.1
177.05441	100.0
178.05902	1.4
183.75464	0.2
186.05493	0.9
191.08150	4.1
195.06523	0.8
205.09680	1.7
207.06485	3.8
219.02878	0.6
234.06610	0.3
235.07391	0.3
247.07622	0.3
250.06229	0.3
278.05740	0.4
293.08093	0.4
295.09598	0.3
307.09531	0.5
307.12766	0.3
321.09903	1.9
339.08154	1.5
339.11884	0.6
339.15421	3.3
339.28497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.59200	0.9
60.19202	0.8
65.03924	1.8
66.62326	0.8
69.03413	1.9
70.06576	1.8
70.45737	3.4
72.08128	0.9
79.05479	1.1
81.03408	1.5
84.08121	1.1
85.02859	1.7
86.09704	1.3
89.03894	2.7
90.95631	0.8
91.05479	10.0
93.60733	0.9
95.04963	1.0
96.83084	0.8
97.02900	1.8
99.04447	1.0
101.37156	0.8
109.02866	2.0
111.04449	0.9
115.88907	0.8
116.98702	0.9
117.03358	4.8
119.04927	24.0
127.03875	1.7
135.04428	0.9
145.01776	1.4
145.02840	17.9
147.04395	100.0
148.04712	0.9
149.05951	2.9
153.01793	1.9
163.03914	2.7
177.01894	1.0
177.03870	1.7
177.05447	33.5
191.03447	0.9
194.10463	0.9
205.04865	4.4
207.02829	1.3
207.06461	0.9
219.02907	10.7
233.04388	1.6
249.03929	5.2
249.07494	1.3
261.03958	5.3
339.07031	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	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.6
57.03436	0.7
61.02923	0.6
63.02354	0.6
69.03416	5.3
71.04960	0.6
71.53028	0.5
72.08147	0.3
73.02913	0.5
78.04722	0.5
79.05479	0.5
81.02921	0.6
81.03404	8.7
81.07039	0.5
85.02895	3.6
89.03904	7.0
89.04428	0.5
91.05461	2.1
93.07042	0.4
95.04945	0.4
95.08580	0.3
97.02879	5.6
99.04436	1.4
103.05445	0.5
103.79291	0.3
105.07025	0.4
106.04137	0.4
109.02847	3.5
117.03362	22.4
118.03680	0.6
119.04892	1.5
121.02874	0.3
127.03873	2.7
134.03604	2.4
135.04384	1.3
137.05946	0.4
145.02820	51.6
146.03195	0.9
147.04372	1.5
149.05957	9.0
163.03918	1.3
175.03844	1.8
177.05440	100.0
178.05806	1.5
186.05421	0.6
195.06514	2.4
200.42751	0.3
205.96104	0.3
207.06487	3.6
249.78473	0.3
307.09143	0.3
307.82834	0.3
321.09644	7.3
322.10226	0.3
339.11060	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03935	0.8
55.05501	0.5
55.93935	0.3
57.03431	0.5
61.92830	0.3
63.02375	0.5
67.05500	0.6
69.03417	2.2
69.07069	0.5
69.40255	2.3
69.45026	0.3
69.92979	0.2
70.06592	0.4
71.04980	0.4
76.13599	0.3
79.05496	0.7
81.03406	3.1
81.07042	1.1
83.04976	0.3
84.04491	0.2
85.02901	1.8
86.09705	0.4
89.03905	5.5
91.05451	1.6
93.07037	1.0
95.04959	0.5
95.08608	0.5
97.02876	3.0
99.04450	0.6
103.05473	0.3
105.07023	0.7
107.04963	0.3
107.08585	0.5
109.02863	2.4
109.06492	0.3
109.10143	0.6
117.03369	18.4
118.24216	0.3
119.04903	2.4
119.08555	0.4
121.02844	0.3
121.06522	0.4
121.10139	0.3
123.11663	0.4
127.03911	1.4
134.03616	1.5
135.04449	1.5
137.02347	0.4
137.05952	0.4
145.02827	50.5
146.03180	0.3
147.04385	5.9
149.05966	7.4
163.03889	0.9
175.03903	0.6
177.05449	100.0
178.05797	1.1
186.05496	1.4
189.76534	0.3
195.06509	0.8
203.07129	0.3
207.06444	1.4
235.07471	0.3
236.08220	0.3
237.68674	0.3
239.17812	0.3
255.38069	0.3
258.50458	0.2
263.07028	0.3
293.08139	0.3
294.14523	0.3
307.09589	0.6
307.58798	0.3
320.15530	0.3
321.09589	3.1
339.08047	0.4
339.11548	1.1
339.18719	0.4
353.32172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.96550	1.2
67.05471	0.8
68.99778	3.0
69.03406	1.2
70.06580	1.5
71.10227	1.7
78.63060	0.7
79.05485	1.8
81.03418	0.8
81.07017	0.7
83.06107	0.8
84.04482	1.1
84.08116	1.5
85.02882	1.5
89.03905	5.7
89.37988	0.7
91.05453	1.1
95.01320	1.9
95.04945	1.2
97.02884	2.0
107.04926	2.9
107.39861	0.6
109.02883	1.4
111.04452	1.3
113.02387	1.2
117.03376	7.3
117.06992	0.8
119.04915	1.2
120.08104	0.7
121.06526	0.7
123.04409	2.0
125.02319	1.4
127.03911	1.7
128.98552	0.8
131.04903	1.5
135.04404	18.8
136.07588	1.4
137.02249	0.8
139.03888	14.2
140.04646	1.5
141.01799	2.9
143.04855	0.8
145.02814	15.7
145.06516	1.1
147.04381	2.5
149.02309	1.0
149.05968	1.8
151.03893	1.9
155.03378	8.8
159.04420	1.3
161.05928	1.2
163.03885	100.0
164.04219	2.3
168.04175	1.4
173.05946	0.8
175.03908	2.0
177.05449	34.1
179.03387	1.6
181.04892	1.4
187.03873	4.7
189.05493	2.6
191.03340	3.3
193.04935	2.2
201.05493	1.7
203.03372	10.1
205.04921	13.7
215.03375	6.1
217.04935	1.0
221.04356	3.4
229.04956	1.8
231.02806	3.9
233.04425	16.0
237.02745	1.7
239.03461	2.0
242.02104	1.7
246.05357	0.9
247.05870	1.7
249.03902	2.8
251.05507	7.9
257.04407	2.9
259.02374	0.8
259.06036	1.2
261.03793	0.7
267.02811	2.4
275.05447	0.9
277.03363	2.7
277.06424	0.8
285.03757	1.2
290.82578	0.7
295.04492	7.1
303.04977	2.7
321.05981	5.5
321.09399	1.1
339.07040	17.7
357.08667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34955	0.5
55.01838	0.5
56.60775	0.5
56.96564	1.1
57.03426	0.6
61.02903	0.5
69.03415	1.1
70.06581	0.5
71.04986	0.4
71.36591	0.7
78.45548	0.4
81.03418	0.8
84.08125	0.9
85.02891	3.4
89.28236	0.5
91.05478	0.9
97.02883	1.5
98.97577	2.6
101.00845	0.7
102.96892	0.5
107.04963	0.6
110.97512	0.5
116.98615	1.2
119.01891	1.8
120.97890	0.6
127.03928	0.9
131.01842	0.9
134.99588	0.6
139.03940	0.6
143.01869	1.0
145.03511	0.7
145.05045	0.6
155.01929	0.6
155.03381	0.6
161.02940	1.2
163.03906	2.1
173.02956	1.5
177.00737	0.6
177.05363	0.7
177.86523	0.4
190.04935	0.6
195.05176	0.5
203.03845	0.6
219.05086	0.6
221.05042	2.2
237.02873	0.9
241.01880	0.4
288.87418	0.4
308.04324	0.5
321.08160	1.5
339.10471	100.0
340.10770	1.3
351.54398	0.6
357.10272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.2
63.02363	0.2
67.05441	0.2
69.03411	0.3
71.01360	0.3
71.04398	0.6
79.05472	1.0
81.03406	0.2
85.02886	0.8
89.03905	5.7
90.04259	0.3
91.05478	0.3
93.26353	0.2
94.94457	0.2
95.01329	1.4
95.04942	0.3
97.02864	0.3
98.40580	0.2
98.65603	0.2
107.04938	1.7
109.02876	0.2
112.03577	0.2
113.02361	0.3
117.02513	0.5
117.03367	8.4
123.04435	0.4
135.04398	18.8
141.01794	2.7
145.02835	13.9
146.03226	0.2
147.04375	0.7
149.05977	0.5
161.05902	0.3
163.03883	100.0
164.04262	1.9
175.03839	0.3
177.05457	3.6
181.05005	0.6
203.03355	0.5
231.06555	0.2
246.05244	0.9
293.06622	0.3
339.07108	3.7
356.08380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.6
62.84140	3.3
64.14410	2.7
65.03929	7.2
67.05461	3.7
68.99785	12.5
70.65015	11.4
81.03399	4.7
83.01337	4.7
86.09677	3.1
92.75954	3.7
93.03381	3.0
95.04983	4.5
97.02879	9.7
103.05495	3.2
106.64054	3.1
107.04941	3.9
109.02880	3.9
111.00796	6.2
111.04451	5.2
113.02337	4.5
113.71495	2.7
115.73524	3.3
117.03329	2.9
117.06948	3.1
119.04921	4.6
121.02837	3.4
123.04428	10.9
125.02368	8.9
127.03902	5.2
131.04916	9.3
133.02974	3.5
135.04398	6.6
137.02246	5.2
139.02806	4.8
139.03885	100.0
139.04915	6.1
140.04646	10.8
141.01826	5.1
143.04903	2.9
145.02846	13.7
147.04428	5.2
149.02370	4.4
149.05951	5.6
150.03123	3.2
151.03905	11.3
153.01750	4.5
155.03384	54.2
155.04651	6.1
159.04436	4.8
163.03880	55.9
165.05490	4.3
168.04170	13.7
173.02274	3.2
175.03943	7.6
177.05463	94.0
179.03387	12.7
181.04895	6.7
183.02872	6.4
183.04341	3.6
187.03888	12.2
189.05470	8.0
191.03365	10.2
193.04974	4.4
201.05473	4.2
203.03383	50.8
205.04951	60.7
215.03316	18.1
217.05078	5.7
219.64729	2.7
221.04480	9.9
229.04903	8.6
231.02867	10.4
231.06442	3.9
233.04393	59.1
239.03410	12.5
242.02098	10.0
247.06070	6.1
249.03941	5.0
251.05511	23.4
257.04428	11.4
260.03262	3.3
261.04086	5.1
267.02844	17.7
275.05551	7.3
277.03445	11.3
285.03976	10.0
295.04504	25.4
300.82300	3.2
303.05038	17.8
321.05960	27.0
339.07031	49.7
340.07355	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	338.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.9
56.05831	5.0
57.03416	7.1
57.07056	10.6
67.05494	37.4
68.05826	8.3
69.07049	27.7
70.07387	6.2
71.08611	5.3
71.13967	5.0
71.14301	3.4
79.05470	12.7
81.07041	35.1
82.07374	9.9
83.08595	9.3
83.84560	3.8
85.52776	3.6
89.99300	4.0
91.05453	11.1
93.07021	14.1
94.07344	5.3
95.08604	42.1
96.08923	9.6
97.06527	3.6
97.10156	7.9
105.07013	30.6
107.08577	19.4
108.08936	5.5
109.10144	13.3
110.10436	8.2
117.06973	7.4
118.28254	3.3
119.08562	66.7
119.25441	3.2
120.66555	3.9
121.10133	22.9
131.08562	31.3
133.10088	9.5
135.11647	6.6
144.09445	3.9
145.10103	71.5
147.11674	15.9
148.11839	3.8
159.11670	38.1
173.13214	10.7
175.14789	10.2
185.22359	3.7
197.98547	3.4
201.16344	100.0
208.24864	4.0
219.17387	32.6
247.20395	3.5
249.69588	4.3
258.41800	3.6
261.18481	52.5
283.16888	9.7
338.27652	38.6
338.34058	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	339.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47849	11.7
67.43275	12.7
69.03429	17.6
70.52912	29.5
70.53304	33.0
74.92735	13.9
85.02892	55.6
98.20815	20.6
98.97547	44.1
116.98632	21.9
119.01892	17.3
121.01621	19.6
128.67407	12.7
133.01651	18.8
138.71095	14.9
147.03212	51.1
153.06479	15.0
154.47188	15.1
159.03107	23.1
163.03859	40.9
175.02751	27.0
189.00801	17.9
201.00722	14.3
219.01698	49.2
220.28169	16.2
231.01732	39.2
237.02765	53.4
237.11775	14.9
249.84706	16.0
339.04892	49.0
339.10739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78096	0.6
55.01864	1.7
55.05486	0.9
57.03426	0.8
67.01875	0.7
67.05451	0.9
68.99791	1.7
69.03417	2.7
69.87072	4.3
70.06568	2.5
71.05018	1.0
72.08135	0.8
79.01846	0.9
79.05494	1.2
81.03405	3.0
81.07018	0.9
84.08138	1.5
85.02893	1.6
86.09673	1.7
89.03919	2.4
91.05476	1.3
94.00768	0.7
94.85662	0.6
95.04944	1.9
97.02884	2.3
99.04462	1.4
105.03382	1.2
109.02858	2.2
109.74004	0.7
110.07127	0.9
111.00835	0.8
117.03363	8.8
119.04922	0.8
119.08524	0.7
120.08067	0.9
121.02785	0.7
121.06477	0.8
123.04423	1.4
127.03913	3.0
129.05467	0.7
131.95197	0.9
135.04410	0.7
137.02361	0.8
137.05960	1.7
139.03902	2.3
145.02832	21.6
147.04431	1.7
149.05971	3.5
149.78970	0.8
151.03917	1.1
153.01816	31.9
155.03267	0.8
161.05930	0.9
162.10312	3.4
163.03880	2.8
171.02802	0.7
175.03911	3.2
177.05455	42.9
178.05821	0.9
179.03336	2.2
183.73837	0.6
188.08195	8.0
189.05376	0.8
190.93875	0.7
192.04161	7.2
193.04948	2.1
195.02882	10.4
195.06544	2.1
201.05470	1.1
203.03339	1.3
203.06992	1.0
205.04942	68.0
206.05350	2.6
207.06570	1.3
217.04953	2.4
218.05753	2.9
219.02895	3.0
219.06528	7.3
221.04396	0.9
229.04956	6.2
231.06488	5.4
233.04405	7.6
236.03145	0.9
237.03874	0.8
247.05966	4.6
249.03923	88.4
249.07587	20.9
250.04214	2.5
257.04385	1.1
259.06091	1.6
263.05438	0.8
272.11734	0.6
275.05457	3.2
276.83926	0.7
277.07175	0.8
278.14926	0.8
283.90695	0.6
293.03506	1.0
293.06546	11.2
295.08066	8.9
296.15970	1.0
321.06104	11.1
321.09616	1.6
322.13974	13.3
334.56912	0.7
339.07083	100.0
339.15872	5.0
340.07291	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	337.2369
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03944	6.1
55.01867	4.7
55.05506	30.4
57.03441	2.3
57.07057	5.7
65.03929	2.5
67.05499	58.4
69.03428	14.9
69.07063	30.8
70.06562	2.7
71.04983	10.6
71.08611	2.4
71.52349	2.9
79.05486	41.4
81.03423	4.1
81.07046	93.9
81.07531	4.9
83.04973	13.1
83.08631	11.0
84.08142	3.5
85.02864	2.4
85.06533	5.5
86.09708	2.3
91.05476	24.9
93.07034	36.1
95.04957	11.9
95.08605	41.6
97.02904	5.1
97.06524	12.6
97.10166	30.7
99.04458	5.6
105.07019	30.3
107.04942	5.8
107.08583	100.0
107.09310	5.1
107.11050	2.4
109.06506	15.8
109.10146	58.6
111.04433	4.8
111.08076	7.8
111.11697	2.8
115.05421	3.8
117.07010	7.3
119.08564	17.3
121.06520	5.2
121.10119	14.6
123.00832	2.1
123.08062	6.8
123.11669	21.9
125.05956	4.3
125.09617	46.7
131.08559	7.2
132.38800	2.1
133.06496	2.9
133.10117	8.9
135.08037	53.9
135.11661	6.8
137.09624	10.3
137.13199	3.2
139.11176	2.9
143.08553	6.0
145.02809	3.5
145.10078	6.1
147.08012	4.0
147.11713	10.9
149.09651	2.6
149.13228	7.5
151.07567	3.1
153.09102	34.1
153.12735	3.0
157.10136	3.0
159.11555	5.2
161.09679	4.9
161.13251	3.0
163.03931	3.7
163.07581	14.8
163.14850	3.4
165.09111	4.0
165.12773	7.0
167.14307	3.2
171.10164	14.8
171.11453	2.7
173.13246	4.6
175.14865	4.8
177.05435	2.5
181.08546	18.8
185.13353	3.3
187.14815	3.3
189.11096	3.3
189.12819	3.8
189.16278	2.2
191.14375	5.2
191.17891	2.0
193.15875	7.0
199.09619	38.3
234.06779	3.2
235.06029	2.2
260.33105	2.0
261.22202	4.2
263.23807	2.7
273.22137	3.3
290.06003	2.1
291.23108	4.4
301.21744	6.1
305.08118	5.1
319.22714	13.9
337.10641	8.4
337.23691	45.1
338.10803	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63124	2.3
56.96300	4.1
56.96560	51.1
59.82737	2.0
61.02921	3.8
64.53120	1.9
66.75084	1.9
71.51419	3.4
71.95267	6.5
85.02891	5.6
97.02883	8.2
98.97578	100.0
99.97914	6.1
99.98521	2.0
109.15514	1.8
110.97569	2.2
116.98611	95.9
117.98958	5.6
119.01912	5.3
120.98003	2.3
128.98589	5.7
134.99641	64.7
136.00060	3.3
137.02895	2.2
146.99593	3.7
153.00699	9.8
158.01271	6.0
161.01131	3.0
163.10004	1.9
170.99037	6.1
174.97655	6.7
177.00845	6.4
178.01207	2.1
186.99141	3.7
189.00040	11.2
192.98718	5.2
198.97691	1.9
205.00223	7.2
206.00594	7.6
212.92319	8.2
213.00136	12.0
215.01718	2.6
216.98680	35.8
219.01886	2.8
220.02107	3.3
223.01180	3.4
224.01657	2.6
227.01744	4.2
228.90094	4.4
230.93488	10.9
232.96407	2.2
234.99722	78.4
236.01692	4.7
237.00165	3.1
239.02408	3.3
246.91222	3.1
248.94437	8.5
251.43733	2.4
254.93289	15.5
255.01184	8.6
256.96622	3.4
258.01251	4.9
258.97000	3.2
258.99750	5.3
261.03064	4.0
270.91159	3.8
272.91083	3.7
272.94394	62.0
272.98871	5.3
274.97501	7.9
275.98074	2.8
277.00839	7.7
288.92157	12.2
290.91837	18.1
290.95435	37.5
292.98566	6.1
295.96185	3.6
296.03757	3.1
296.94482	9.1
305.25165	2.5
306.93280	5.0
308.92908	10.4
310.89935	2.9
311.96021	8.8
312.92923	3.0
313.97186	2.3
314.95435	55.0
315.00037	3.8
315.03387	3.1
320.96338	5.9
323.91116	3.6
325.25983	3.2
328.90897	2.5
332.90936	7.5
332.96390	7.7
333.04517	3.8
337.97034	4.0
338.05405	3.0
341.90527	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
57.03431	2.4
57.07059	1.2
61.02898	2.2
67.05489	3.6
69.03418	4.8
69.07061	9.6
69.65678	3.9
69.66094	3.5
70.06576	4.8
72.08159	2.6
73.02896	2.6
79.05486	2.7
81.03406	1.9
81.07051	5.0
83.04978	2.4
83.08614	3.2
84.04488	1.5
84.08138	2.6
85.02892	10.1
86.09685	8.0
91.05473	6.1
93.07049	4.2
95.04960	3.0
95.08590	5.8
97.02863	2.5
97.06514	2.0
98.21481	2.7
99.04485	2.0
103.03933	2.5
105.07016	10.8
107.04946	1.2
107.08610	4.6
109.06565	1.2
109.10143	2.6
111.04423	2.1
117.06993	2.2
119.08568	53.9
120.08082	3.1
121.02831	2.2
121.08447	2.1
121.10132	3.7
123.04462	1.8
123.08047	1.8
127.03838	1.7
131.08556	5.4
133.10115	51.3
134.10863	5.4
135.11697	2.5
137.05945	1.9
137.09589	1.7
140.07155	1.4
143.08495	1.9
143.11786	1.5
145.02831	1.4
145.10091	8.8
147.04352	1.9
147.11655	16.6
149.09547	1.6
155.08521	2.0
157.10112	2.0
159.11642	2.1
160.12479	1.6
161.13168	1.4
163.03865	2.2
171.11703	1.8
173.09537	1.4
173.13246	7.5
175.14799	100.0
176.04665	1.3
176.15167	4.2
177.05457	2.6
177.16293	5.6
185.08159	2.2
187.14793	3.6
189.05571	1.3
191.07072	2.2
193.15874	2.9
203.09116	1.7
203.14397	1.2
203.68475	1.2
205.15884	2.1
209.09677	1.2
210.14905	1.9
215.06929	2.4
217.04918	1.8
217.15887	1.8
219.06587	1.2
231.06534	1.6
241.15846	1.2
259.16937	1.4
260.83054	1.2
262.34595	1.3
273.12271	1.7
277.18054	1.6
281.07965	1.8
283.10699	1.4
283.16925	2.2
297.66150	1.3
301.11633	1.4
301.17935	3.2
309.07599	4.7
319.19113	5.9
324.19043	1.4
337.07159	5.3
337.20261	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	337.2371
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03941	1.8
55.01853	3.9
55.05507	21.6
57.03429	2.7
57.07061	3.4
59.04976	1.5
65.01184	1.0
65.03941	3.4
67.05500	53.0
69.03419	9.6
69.06728	1.8
69.07063	18.8
69.42030	1.1
70.21168	4.1
71.04991	7.6
77.26402	1.0
79.05487	46.0
81.03412	2.4
81.07051	80.3
82.07376	1.2
83.04980	7.7
83.08613	7.6
85.02899	2.0
85.06523	3.6
91.05476	21.0
93.07035	25.9
93.55481	1.1
95.04958	7.5
95.08601	23.6
97.02889	4.2
97.06517	5.6
97.09547	1.9
97.10162	27.4
99.04454	4.1
103.03900	1.2
105.07026	17.9
107.04967	5.6
107.08585	100.0
108.08934	1.7
109.00296	1.1
109.06521	9.7
109.10149	55.8
110.10450	1.1
111.04431	5.4
111.08054	6.5
111.35914	1.0
115.05472	2.6
117.07005	8.7
119.08575	9.2
121.06510	2.4
121.10129	8.1
123.04412	1.9
123.08064	5.0
123.11671	8.6
124.07597	2.1
125.05988	2.2
125.09618	46.0
128.06224	1.5
129.06996	1.4
131.08534	2.5
133.06474	2.5
133.10124	5.0
135.08044	56.1
135.11670	3.3
137.09610	3.6
137.13255	3.2
139.07515	1.8
139.11192	2.4
142.07748	1.4
143.08534	3.8
145.10120	2.7
147.08040	1.4
147.11674	4.8
149.09637	2.1
149.13235	4.1
151.07542	2.9
151.11191	1.3
153.09087	30.4
157.10117	1.7
159.11690	2.5
161.09700	1.8
161.13205	1.9
163.03937	1.4
163.06195	0.8
163.07533	24.0
163.11142	1.6
163.14842	3.0
165.12761	3.2
167.14317	1.6
169.08595	3.1
171.10155	13.6
171.11497	1.7
175.11311	1.2
175.14824	2.1
177.05444	1.4
177.16302	2.1
180.13855	3.8
181.08531	11.5
181.09982	1.2
189.12752	1.2
189.16362	1.4
193.12241	1.4
193.15845	1.5
199.09648	49.0
200.09775	1.0
203.14561	1.1
203.17915	4.2
250.14314	2.3
263.23532	2.2
273.22311	2.4
278.13806	5.0
283.20639	1.7
291.23120	1.6
301.21625	5.1
305.07938	1.8
319.22562	8.9
337.07004	2.5
337.10583	4.7
337.19717	1.7
337.23730	36.1
338.11172	1.2
338.15784	2.5
338.24338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	13.1
63.12659	4.3
69.07059	4.2
72.91151	4.6
91.08263	4.3
98.97559	17.8
110.97565	6.4
116.98590	7.4
118.89235	4.9
119.01913	9.8
128.98573	8.7
145.03470	7.1
146.99617	5.5
151.63852	4.9
157.20795	5.7
165.00676	6.9
173.02922	8.9
174.99156	4.8
189.00687	5.7
193.00163	10.4
193.30029	4.5
207.01683	6.2
217.00073	7.1
217.01970	7.9
247.06450	6.4
256.71323	4.7
263.00757	9.8
337.08475	100.0
337.17242	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1065
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
53.81415	0.2
55.05491	0.3
59.77261	0.2
63.00733	0.2
65.03934	0.3
67.05479	1.0
68.99777	0.4
69.07042	0.7
71.52309	0.3
72.10410	0.2
79.05476	0.5
81.07032	1.0
83.04971	0.2
91.05456	0.5
92.99729	0.2
93.07027	0.6
94.16190	0.2
95.08586	0.7
97.06514	0.3
97.10128	0.3
105.07001	1.3
107.08595	0.4
109.10123	0.5
113.02396	0.2
117.06981	0.5
119.04945	1.3
119.08573	0.5
121.02858	3.5
121.06458	0.2
123.08047	0.5
126.80524	0.3
129.07005	0.6
133.06479	0.2
135.04449	0.3
135.07997	0.4
139.11130	0.3
141.01764	0.6
145.02821	2.7
145.06459	1.2
145.10004	0.3
148.13225	0.2
149.02344	0.5
149.05948	0.2
149.09549	0.3
152.43134	0.3
157.06462	0.4
159.31412	0.2
163.03860	1.1
165.00546	0.4
165.01822	4.3
167.03421	1.1
173.05891	0.3
175.07607	0.3
175.26869	0.2
177.01831	0.8
177.05443	0.5
179.03458	0.2
183.02873	2.1
183.04393	0.3
187.03990	0.3
189.59908	0.3
190.02521	1.1
191.03427	0.4
191.07007	0.4
201.05481	1.1
203.03426	0.3
204.04208	0.5
208.03697	0.3
209.04532	0.2
219.06435	1.0
222.05194	0.2
229.04921	0.5
237.07721	0.3
255.06589	0.5
262.06461	0.2
267.06506	3.3
271.05896	1.3
276.07663	0.4
277.08398	0.4
279.06519	2.2
281.08017	0.9
283.05960	14.1
284.06412	0.8
291.10214	0.3
293.08081	0.9
294.05243	0.7
295.06021	8.2
295.09491	1.5
296.06216	0.4
297.07538	0.6
304.07077	0.5
305.07825	0.3
307.05966	6.0
308.06747	3.9
309.07474	2.0
309.11139	1.2
319.09604	6.5
320.09958	0.3
321.07562	4.4
322.08310	7.5
323.08807	0.3
337.10638	100.0
338.10959	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.4
55.05497	0.3
56.05031	2.1
57.03424	1.0
57.07068	2.5
57.26609	0.3
58.94865	0.3
61.64082	0.3
65.03921	0.3
67.05486	0.6
69.03431	0.4
69.07054	1.1
70.06574	1.4
74.06068	2.3
79.05482	0.5
81.03394	0.5
81.07040	1.0
84.04490	1.4
84.08119	0.7
85.02900	0.9
85.10180	6.5
86.09686	0.4
91.05488	0.8
95.04980	0.4
95.08602	2.7
96.08091	0.3
97.02888	0.5
98.06020	0.5
102.05531	1.7
105.06989	0.6
107.04943	0.5
107.08611	0.4
108.08122	0.3
109.02886	0.4
109.06452	0.5
112.11229	1.4
113.09635	7.6
120.08102	0.7
121.10067	0.5
124.03909	0.8
126.09149	1.7
126.12796	0.5
137.04565	0.4
138.05446	0.4
138.12764	21.1
141.51334	0.3
163.03925	0.4
166.04991	2.1
168.13823	32.5
169.14175	0.6
194.04436	1.2
199.04048	0.4
212.05499	0.4
214.14357	100.0
215.14578	1.6
282.34024	0.3
289.10870	0.5
301.11823	1.2
305.07651	0.4
324.41223	0.4
337.10587	1.3
337.17621	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	336.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96316	2.7
55.04928	3.5
55.05504	53.2
55.80424	3.1
56.05832	3.4
57.03410	12.6
57.07060	20.1
67.05137	4.5
67.05496	93.3
68.05824	8.0
69.07058	74.1
71.05014	4.6
71.08614	10.4
71.53955	4.8
79.05482	30.2
81.07045	100.0
82.07375	7.5
83.04971	4.4
83.08605	49.3
84.08098	3.7
85.10171	4.1
86.06078	3.7
90.03916	2.8
91.05475	18.8
92.05725	3.2
93.07029	38.8
94.07381	5.7
95.05028	3.1
95.08595	94.8
96.08920	9.5
97.06511	10.8
97.10162	27.5
100.07623	7.5
105.07001	17.2
107.08592	20.8
108.08893	3.5
109.09461	4.6
109.10133	42.6
111.08061	8.4
111.11698	12.4
114.09150	8.2
119.08555	14.5
121.10162	22.6
123.08041	5.1
123.11691	21.5
128.10744	5.6
133.10109	13.4
135.11662	18.3
136.12048	3.6
136.89513	2.7
137.13229	5.7
147.11655	9.7
149.13245	10.6
151.14781	6.9
156.13828	3.7
161.13231	8.4
175.14783	6.3
184.17073	3.8
189.16382	7.0
197.39497	3.0
205.19388	4.0
205.43608	3.2
212.95398	3.2
226.21620	3.7
235.24191	3.5
254.24922	3.6
263.23535	3.2
283.68875	3.2
289.97015	3.3
293.29312	3.4
301.28864	24.4
319.29919	45.4
336.26138	35.7
336.32495	24.1
337.27316	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	3.3
55.05506	23.3
57.03432	18.7
57.07045	4.0
63.36695	2.0
67.05498	99.7
69.07058	20.6
71.01614	3.4
71.01931	3.8
77.00326	2.0
77.66600	2.1
79.05486	45.2
81.07047	90.0
83.08605	9.2
91.05466	18.8
93.07036	48.8
95.04972	3.8
95.08598	65.8
97.06503	2.6
97.10155	4.0
105.07037	12.8
107.08578	25.5
109.06494	3.2
109.10138	30.9
117.06984	3.7
119.08549	9.0
121.10126	21.6
123.11679	9.0
131.08498	7.0
133.10103	9.4
135.11705	17.8
145.10106	4.8
147.11649	7.4
149.13223	8.2
159.11678	4.7
161.13123	3.9
163.14806	4.5
173.13210	4.8
209.01691	2.2
261.22137	5.0
335.25754	100.0
336.25974	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03922	3.6
55.05509	23.3
57.03164	1.3
57.03433	23.3
57.07057	1.8
65.03916	3.5
67.05497	100.0
69.06729	1.5
69.07065	19.6
70.77489	3.1
71.04983	2.3
75.23373	1.0
79.05486	47.1
81.07047	84.8
83.04957	2.0
83.08620	9.6
85.06542	1.5
91.05476	22.1
93.07032	52.0
94.07376	1.2
95.04955	4.4
95.08596	68.1
97.06487	2.3
97.10164	2.9
99.08083	1.7
105.04475	1.5
105.07033	14.1
107.08578	24.5
109.06489	2.0
109.09477	1.9
109.10151	25.4
111.08064	1.5
113.09667	1.3
117.07013	5.3
119.08574	10.9
121.10130	17.9
123.08018	1.8
123.11683	9.5
125.09645	1.4
131.08568	8.1
133.10127	8.7
135.11678	13.9
135.42130	1.2
137.13263	2.1
145.10077	6.4
147.11678	6.3
149.13242	8.0
159.11673	3.9
161.13280	3.0
163.14780	3.3
173.13219	4.3
173.64752	1.2
184.93477	1.2
187.14786	1.8
225.53284	1.1
243.21124	2.5
261.22162	6.9
271.96216	1.2
276.15610	1.2
335.25760	80.3
336.26044	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1848
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
53.03946	1.3
53.28417	0.8
55.01851	0.9
55.05504	4.8
56.05014	0.9
57.03415	2.3
57.07056	3.1
57.07311	0.8
59.40224	0.9
60.72268	0.9
67.01894	0.8
67.05499	8.2
69.03394	1.7
69.07054	7.3
70.58057	1.5
70.58398	2.0
79.05476	7.9
80.14460	0.9
81.07048	12.9
82.35384	0.9
83.04961	3.2
83.08591	2.2
88.07599	3.2
91.05454	10.0
93.07030	9.5
94.94346	0.9
95.04949	2.8
95.08590	7.0
97.06517	2.7
105.03361	1.6
105.07017	17.5
107.08584	12.7
109.06497	6.2
109.10125	7.8
111.08064	1.7
115.05462	2.6
117.07004	11.3
119.04889	1.1
119.08567	17.6
121.06487	10.8
121.10121	7.6
123.08034	3.8
128.06184	3.9
129.06976	3.7
130.07794	2.8
131.07597	1.7
131.08556	27.4
133.06480	2.0
133.10100	6.8
135.08026	11.0
135.11679	2.1
137.09570	3.3
141.06990	2.4
142.07767	3.6
143.08539	15.6
144.09349	2.1
145.06488	3.9
145.10103	43.2
147.08028	4.4
147.11650	2.5
149.09575	3.5
153.06989	1.4
154.07700	1.4
155.08531	19.2
156.09267	4.1
157.10092	7.8
158.07246	2.6
158.10858	3.2
159.08044	20.5
159.11656	16.4
160.08807	2.0
161.09616	6.3
161.53015	1.0
163.11145	2.7
163.14845	1.7
167.08554	2.5
169.10081	4.5
171.11673	5.5
172.08719	1.0
172.12469	1.3
173.09602	26.3
173.13229	19.6
174.10225	1.2
175.11142	3.4
176.08270	1.3
177.09087	2.8
177.12727	3.6
182.10883	5.3
185.13185	1.5
186.10321	1.1
187.11177	7.1
187.14796	31.2
197.13219	14.1
200.11954	1.6
201.09123	2.1
205.12221	5.4
205.15895	7.8
215.14282	100.0
216.14612	2.6
233.15329	33.4
243.25117	3.1
251.16312	3.4
257.15341	10.7
275.16391	14.2
287.27670	1.5
293.17456	35.3
294.17575	1.8
300.29651	0.9
317.17377	1.8
335.18463	34.4
335.25668	2.2
335.29767	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02366	1.1
53.03941	5.8
54.97358	1.4
55.05505	27.2
56.51059	1.1
57.03161	2.0
57.03430	30.7
57.07055	1.8
63.24379	1.1
65.03927	5.0
67.05497	100.0
69.07059	24.8
70.47044	1.1
70.56467	3.7
71.04972	1.8
73.33167	1.4
79.05484	50.5
81.07046	82.6
83.04959	2.3
83.08617	9.3
85.06528	2.5
90.07535	1.1
91.05467	26.6
93.07035	53.1
95.04958	5.1
95.08598	65.3
97.06505	2.6
97.10153	3.5
99.08024	1.2
101.75498	1.1
105.06998	13.5
107.08582	24.4
107.09294	1.8
109.06509	1.6
109.10144	26.5
111.08093	1.8
117.07001	4.3
119.08578	12.0
121.10133	16.7
123.08067	1.8
123.11703	7.5
130.13596	1.3
131.08540	8.1
133.10112	7.8
135.11684	11.8
137.13214	2.8
145.10115	5.8
147.11661	4.2
149.13257	6.7
151.11137	1.3
159.11647	3.7
161.13226	3.2
163.14824	2.7
173.13190	1.9
175.14850	2.4
243.20877	1.8
261.22076	3.3
296.26361	1.3
335.25766	85.9
336.26202	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1849
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
54.74681	5.1
55.05500	14.0
56.73885	5.5
56.96572	8.5
57.03411	9.3
57.07063	7.0
59.27914	4.8
63.21362	4.6
67.05510	37.8
67.32606	5.9
69.07070	16.4
70.85680	13.3
70.86018	5.6
73.95094	4.5
79.05488	21.0
81.07044	45.0
83.04983	7.3
83.08584	9.6
85.02876	7.0
85.06531	5.7
91.05473	23.5
93.07016	27.1
95.08596	35.7
98.97532	7.7
105.07028	34.0
107.08605	33.6
109.10142	33.6
111.59845	4.8
116.98656	6.8
117.07006	12.3
119.04896	10.2
119.08586	16.5
119.65434	4.9
120.82698	4.8
121.06510	5.0
121.10145	21.1
123.04437	5.5
123.08074	5.0
131.08546	30.6
133.10104	27.0
134.99652	7.4
135.11662	10.5
143.08551	9.1
145.10104	77.6
147.08037	7.7
147.11705	10.5
149.05887	6.2
149.09557	9.4
151.07547	10.6
157.10002	7.1
159.08101	12.2
159.11676	18.5
161.09631	12.2
173.09604	11.5
173.13232	13.0
177.09169	16.5
187.14778	46.7
191.10619	5.1
201.16455	5.0
205.15913	23.2
215.14291	100.0
233.15337	74.3
275.16373	12.1
329.32217	5.1
335.22354	8.6
335.25827	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28855	1.2
57.03425	15.4
57.07068	100.0
61.02911	3.1
69.03413	5.9
70.06571	3.3
70.81258	3.7
71.01345	15.8
73.02907	27.1
75.04475	3.2
83.01298	3.1
83.04975	1.8
85.02895	51.4
85.06535	71.4
86.09696	1.9
95.01332	11.7
97.02885	13.0
99.00806	5.8
99.04427	1.8
101.02369	7.7
103.03919	8.5
103.07573	11.9
113.02351	22.5
117.01856	2.0
120.08095	3.0
123.00794	3.0
131.03368	11.4
131.08623	1.7
141.01816	26.9
159.02885	7.8
159.06512	2.2
159.10152	55.9
160.10463	1.7
169.04965	3.5
173.69748	1.4
177.11194	2.5
187.06000	1.8
201.11255	7.0
201.12947	1.2
204.10149	1.4
215.05472	4.1
243.08788	2.2
257.09073	2.1
271.11072	1.7
280.17456	1.3
299.10956	2.7
317.11557	9.0
335.13260	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	335.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
53.21666	1.6
55.01867	2.6
55.05489	6.1
57.03432	10.3
57.07058	3.3
58.47479	1.6
65.03932	2.5
67.05496	31.9
69.07069	11.0
70.77040	2.6
70.77381	2.2
71.04980	2.5
79.05482	20.5
81.07047	58.4
83.08604	3.0
87.67272	1.6
91.05472	22.8
93.07032	32.9
95.01556	1.7
95.04964	4.1
95.07987	2.1
95.08600	37.0
97.06532	1.6
97.10121	2.0
98.98409	2.2
105.07019	18.6
107.04958	2.1
107.07883	2.6
107.08575	38.7
108.41544	1.7
109.06512	4.1
109.10136	12.2
117.07005	10.6
118.17290	1.5
119.08557	14.4
121.06498	3.3
121.10126	12.3
123.08083	1.4
123.11698	3.2
129.05405	2.2
129.07008	3.0
131.08549	38.8
133.06448	2.3
133.10114	7.1
135.08046	3.1
135.11707	8.2
143.08568	2.9
145.06468	4.7
145.10103	19.1
147.08029	2.7
147.11694	2.5
149.13217	3.2
154.07701	1.5
155.07271	1.6
155.08505	5.4
157.10120	3.7
159.08043	37.7
159.11655	12.4
161.09616	1.5
161.13228	2.1
163.14760	2.4
169.10078	3.5
171.11681	3.1
173.09587	8.1
173.13194	7.8
182.10895	2.3
187.11160	13.3
187.14789	16.6
188.15160	2.0
197.13185	9.9
215.14290	100.0
216.14552	2.0
233.15424	2.2
243.21069	3.9
261.22034	3.8
275.16449	2.8
317.14038	1.8
317.24719	2.3
335.09155	4.0
335.25784	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71985	0.7
55.05505	1.0
65.03938	4.7
67.05483	3.8
69.03407	0.9
69.07061	100.0
69.32666	2.8
69.33086	4.5
70.06580	0.8
79.05476	2.1
79.09721	0.8
80.04991	0.9
81.03417	1.1
81.07053	4.3
84.79567	0.6
86.09690	1.1
91.05461	0.8
92.04990	3.0
93.07029	1.7
94.06562	4.9
95.04952	1.9
97.06517	14.2
99.08137	0.7
104.05027	0.8
105.06981	0.8
107.08580	1.4
108.04440	1.7
109.06482	1.9
109.10110	0.8
115.05392	0.9
119.04924	1.1
121.05240	1.7
121.06479	2.2
122.06030	10.1
124.07552	2.2
129.07024	1.1
131.07248	1.2
131.08536	0.8
134.06001	1.0
135.08052	1.0
137.05931	2.9
138.05486	6.2
140.07056	7.5
142.08667	0.8
143.08510	1.3
144.08070	2.5
145.08842	3.1
145.10017	1.7
146.09647	2.7
147.06781	1.1
148.03902	1.4
150.05486	77.1
151.05864	0.8
157.08847	3.2
158.09665	0.9
159.08113	0.8
159.10490	1.1
160.11172	1.0
161.08295	3.8
162.09113	2.1
164.03442	1.9
165.04189	1.3
166.04985	32.8
168.06557	1.1
172.07518	1.6
172.11198	4.4
173.08287	1.9
174.09102	1.3
174.12755	6.1
176.03407	8.4
178.04968	1.9
182.04471	1.5
185.08426	1.9
186.07602	1.8
188.10751	1.2
190.08636	1.4
190.12190	4.6
192.02869	1.2
194.04424	4.1
198.07726	1.1
200.10753	6.5
202.12259	7.2
204.06638	0.8
206.11668	0.8
216.10173	3.3
218.08339	1.4
218.11740	27.3
225.10330	0.9
227.11717	0.9
228.10179	16.8
229.13304	1.8
234.11243	3.1
243.11356	1.3
244.09795	1.2
245.12773	1.7
246.11258	24.1
255.11244	0.9
256.09668	1.6
257.09103	1.9
261.08682	1.0
262.10715	1.0
271.10736	4.2
272.09164	2.6
273.12228	3.9
274.10764	2.5
287.10239	7.7
289.11853	11.4
290.10150	1.8
299.10190	4.9
317.11249	25.4
335.12332	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	335.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
57.03431	15.9
57.07070	100.0
60.17510	1.2
61.02934	5.5
67.05502	2.0
69.03419	8.1
69.07055	2.0
70.06574	4.1
71.01029	1.6
71.01357	20.5
71.14341	1.2
71.33053	2.6
72.08174	1.3
73.02915	31.3
75.04471	3.1
79.05481	1.3
81.03406	1.8
81.07064	1.6
83.01331	3.5
83.04976	1.5
83.14450	1.3
84.08131	1.1
85.02899	51.8
85.06536	70.4
86.09702	2.2
95.01317	7.3
97.02884	19.7
99.00812	7.3
101.02359	7.5
103.03952	7.3
103.07578	13.8
107.08568	1.2
110.07175	1.4
113.02361	26.3
117.05465	1.7
123.00763	1.3
123.04363	1.5
127.03951	1.9
131.03394	15.9
136.07581	1.3
139.03928	2.0
141.01825	21.3
145.04869	2.1
151.03911	1.5
159.02884	8.7
159.06519	3.1
159.10155	64.7
162.05478	3.8
163.05820	3.6
169.04941	4.8
187.06026	2.8
187.09663	1.7
190.04944	1.5
197.04471	2.9
201.11200	10.9
215.05479	7.7
219.08687	2.1
233.06616	1.4
287.10187	1.5
299.10974	2.1
317.11499	4.0
335.09879	1.6
335.13300	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	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27604	1.8
55.05508	9.7
56.05024	2.1
57.03423	3.8
61.02892	3.3
62.26981	2.0
62.30421	1.9
69.03413	6.9
69.45053	15.4
70.06593	9.1
71.04977	4.4
72.08134	2.9
73.02865	1.7
74.06053	4.3
79.05470	6.5
81.03387	4.2
81.07046	24.7
83.08609	9.6
84.04476	2.9
84.08103	4.3
85.02901	19.3
85.06532	3.8
86.09703	13.5
91.05470	4.1
93.06979	3.0
97.02876	5.6
98.06055	2.4
98.09680	3.8
98.98423	1.8
108.08086	4.9
109.06493	17.4
115.05410	5.7
126.09135	58.4
126.33122	2.1
127.03903	4.2
127.07545	21.1
129.10239	2.6
130.08601	4.7
136.07529	4.7
136.50264	2.0
137.05954	4.6
139.03914	2.3
154.08609	71.3
155.07024	47.2
162.05496	3.0
171.04335	1.8
172.09665	100.0
175.10765	4.2
190.04939	3.1
199.03894	5.1
203.07027	8.9
217.13535	2.1
220.16798	2.3
231.06502	14.1
334.08936	67.8
335.09338	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	18.1
56.96819	6.6
59.79200	5.2
60.36381	4.9
61.02901	12.1
71.51859	9.3
84.68388	6.8
85.02871	4.8
97.02840	8.7
98.97577	13.4
116.98618	7.4
119.01900	19.3
123.05525	16.3
131.01878	6.2
143.01830	5.5
145.03418	6.3
145.10217	4.9
146.99611	8.4
152.59424	5.7
158.99606	5.5
161.02940	16.8
165.00574	6.9
173.02873	5.7
185.02930	15.4
237.02740	6.4
245.05060	7.9
263.06207	6.7
266.90833	6.0
303.05591	7.7
335.07129	100.0
343.36758	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05504	4.7
57.03410	2.3
57.07049	1.1
58.01060	0.7
59.04985	1.2
65.03917	2.1
67.05501	3.3
69.03421	0.9
69.07055	11.7
71.04976	0.8
76.35252	0.7
79.05469	3.0
81.07033	3.0
83.04981	3.9
91.05461	6.3
93.03365	1.0
93.07033	4.7
95.04913	0.9
95.08589	2.2
97.06514	2.6
98.98456	6.5
100.98890	0.9
103.05448	1.3
105.07022	16.2
107.08583	6.7
109.06535	1.2
109.10145	1.9
111.11695	1.2
115.05463	1.7
117.06985	2.6
119.08565	9.7
121.02854	9.9
121.06483	2.1
121.10114	2.1
128.06204	10.5
129.06985	7.2
130.07712	1.1
131.04936	1.2
131.08553	8.2
133.06454	5.1
133.10118	8.9
135.08014	6.2
135.11636	0.9
137.09581	1.7
141.06978	1.7
142.07759	4.5
143.08540	39.7
144.08890	1.8
145.06471	1.7
145.10089	4.2
147.08031	6.1
147.11650	2.9
153.06956	0.8
155.08545	1.2
156.09254	1.5
157.10115	10.5
158.07158	1.7
159.08017	2.4
159.11713	5.2
160.08838	2.8
161.09599	12.7
161.13217	2.1
165.06999	4.6
167.08563	1.4
169.10069	1.5
170.10860	1.5
171.08012	9.7
171.11681	2.1
173.09579	3.3
173.13266	1.1
175.07462	2.2
175.11171	20.3
175.14777	5.7
179.08537	0.8
180.09386	3.8
185.09576	0.9
185.13228	15.1
187.11230	1.7
189.09058	5.2
189.12743	0.8
193.04942	2.1
195.11604	5.7
199.14742	0.9
203.14288	58.0
204.14577	2.2
213.12723	21.3
217.11977	0.7
231.13768	100.0
232.14142	4.3
241.19398	0.8
249.14821	6.2
259.20486	1.5
273.14777	1.2
291.15686	3.3
302.23987	1.4
333.16833	11.7
333.20355	9.2
333.24658	4.7
333.31906	2.1
333.75983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.44510	2.3
53.03934	4.3
55.01857	7.7
55.05501	6.4
56.17909	2.4
57.03413	8.9
57.03680	2.3
57.07071	17.2
59.04981	8.8
60.04506	4.4
61.02906	10.7
67.05499	11.8
69.03422	45.1
69.07049	11.5
70.06568	6.1
71.04984	8.1
71.44376	4.2
73.02896	4.5
75.31544	2.6
79.05480	3.8
81.03419	14.2
81.07047	8.5
83.08614	5.0
85.02898	77.1
85.06552	12.8
86.09694	25.3
86.84850	2.4
87.04451	3.6
87.10028	9.8
87.63586	2.4
91.03926	4.5
91.05474	19.7
93.07024	9.1
95.04962	8.4
95.08598	68.3
97.02893	32.7
97.06520	9.3
98.98466	26.9
99.04441	6.2
99.08085	17.1
100.98918	2.8
105.07040	3.2
107.04893	3.5
107.08575	11.4
109.02872	13.4
109.06511	9.5
109.10152	20.4
111.08069	13.4
111.11639	3.7
113.09632	63.1
119.08585	4.7
120.08090	3.0
121.06487	4.5
121.10124	4.3
123.04407	5.1
127.03891	17.1
127.11179	42.2
127.12031	4.5
129.06950	2.8
135.11674	18.4
137.13269	2.9
139.03862	13.5
145.04945	23.5
146.06007	4.3
151.03897	8.5
151.07585	3.1
152.07076	18.5
153.05473	3.6
153.12730	100.0
155.14301	6.6
157.07678	2.9
158.66206	2.4
163.03937	6.2
165.05482	19.4
171.13786	50.2
173.12880	14.8
174.13196	10.3
177.05434	3.2
177.12689	4.2
178.81354	2.5
181.04903	4.2
202.12735	3.4
213.10146	3.0
213.14964	3.3
226.10959	5.4
227.11763	7.6
255.11287	2.7
270.09973	9.6
272.11517	8.8
273.12265	3.1
283.10965	3.0
301.11783	60.8
302.11935	3.8
315.05276	5.8
315.08652	11.1
324.17468	2.7
333.06021	4.7
333.09885	5.1
333.14404	14.2
333.18381	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	332.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.99613	1.6
55.05504	36.5
56.05029	1.7
57.03412	2.5
57.07071	38.3
58.02960	1.8
58.07411	2.8
60.04227	3.6
60.04518	55.0
64.42162	1.7
65.03930	4.4
67.05501	66.9
69.07066	40.7
69.29217	17.2
70.02939	2.4
71.03727	26.8
71.04965	5.6
71.08622	25.3
72.08942	3.0
78.07340	1.7
79.05464	8.2
80.04977	2.2
81.07050	81.7
82.07370	3.1
83.08608	40.9
83.62762	2.0
84.04459	4.0
84.08955	3.2
85.10168	12.4
88.03498	2.1
88.03989	25.5
89.04762	26.4
91.05465	6.5
93.07010	4.5
95.08597	100.0
96.04519	2.5
96.08903	4.5
97.10167	21.2
98.06036	3.4
98.20731	3.5
98.98441	11.2
105.07033	2.0
106.05009	4.5
109.10152	38.3
110.06010	6.0
111.11684	5.9
114.05511	12.0
119.08549	2.1
123.11681	13.0
137.13257	4.8
138.09090	2.9
152.10634	3.2
221.22505	2.5
240.23973	2.4
253.05559	2.2
257.24863	8.8
260.23715	2.3
266.24771	6.9
278.24823	6.2
296.25891	16.0
314.27560	8.6
332.33533	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
56.05033	6.4
56.96570	0.4
57.03436	1.7
57.07067	3.6
58.02940	0.6
58.06586	0.7
60.04518	100.0
61.04863	0.6
64.63899	0.4
67.05492	5.7
68.05023	0.5
69.03411	0.6
69.07066	4.5
70.06577	1.0
70.72033	1.1
71.04998	0.5
71.08624	2.6
72.04518	0.9
74.02415	0.5
74.06071	2.4
79.05474	3.4
81.07047	5.3
82.06580	0.9
83.04978	1.4
83.08607	3.4
85.10165	0.9
86.06052	1.3
88.07651	0.3
90.05552	1.3
90.96977	0.3
90.97580	0.4
91.05468	2.1
91.12449	0.3
93.07030	3.3
95.08597	4.9
96.08128	0.4
97.06513	0.7
97.10146	1.9
98.98459	4.6
101.21470	0.4
105.07027	2.2
107.08585	1.7
109.10165	2.2
111.11701	0.6
117.07021	0.4
119.08615	0.8
121.10121	1.4
122.08141	0.5
123.11653	0.7
133.10124	1.6
135.11731	0.4
143.06497	0.4
145.10220	0.5
147.11717	0.6
159.11702	0.8
161.80078	0.4
173.13242	0.5
176.99011	0.6
199.65024	0.4
266.28354	1.9
268.30109	1.2
278.28418	2.6
279.26810	0.9
284.29352	2.0
296.29434	16.4
297.30109	0.5
314.30487	18.3
315.30899	1.2
332.15521	0.6
332.31549	39.9
333.23993	2.4
333.31799	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	333.0602
Annotation	Laricitrin
Peak:m/z	Relative Intensity
53.03910	0.3
53.88176	0.3
55.01873	0.3
57.03429	0.4
65.03940	0.3
67.01836	0.3
68.99773	2.2
69.03404	0.5
69.07066	0.5
70.06561	0.5
71.52894	0.3
72.08128	0.3
79.05438	0.3
81.03390	1.1
81.07055	0.4
84.08138	0.3
85.02894	0.5
86.09698	5.3
87.10062	0.4
91.05475	0.7
93.07037	0.3
94.63100	0.3
95.04894	0.4
97.02889	0.4
98.98460	3.0
104.53086	0.3
105.07018	0.7
107.04978	0.5
108.02087	0.6
109.02864	2.2
111.00786	2.1
111.04413	0.8
116.54768	0.3
119.04935	0.6
120.08097	0.3
121.02843	0.8
121.06473	0.6
123.04410	1.3
126.03122	0.8
127.03896	0.6
135.04417	0.4
137.02335	2.3
137.05991	0.5
138.03102	0.4
139.03883	4.6
140.04640	0.3
147.04387	0.9
151.03920	0.8
152.01051	0.5
153.01813	14.0
153.05345	0.4
161.06001	0.6
163.03851	0.7
165.01823	3.7
165.05455	0.5
166.02631	1.6
167.03404	3.7
167.07048	1.0
171.04393	0.7
174.13171	0.4
175.03918	0.6
176.99026	0.3
177.05466	0.7
179.03404	1.9
179.07051	0.4
180.07376	0.3
183.02867	1.2
189.05415	1.2
191.03394	0.3
192.04077	0.4
193.04945	1.1
199.03868	0.8
202.08795	0.7
203.03493	0.5
203.22520	0.3
205.04958	1.3
206.05771	1.3
207.06468	0.4
208.03596	1.5
210.01579	0.5
213.05473	0.4
216.04185	1.5
217.04935	6.1
219.02861	8.7
220.03607	0.5
220.10020	0.4
221.04414	0.3
231.02948	0.5
231.06528	0.4
232.03802	0.4
233.04430	4.0
234.05138	1.1
241.04967	0.5
243.02919	1.4
244.03635	3.9
245.04431	7.3
247.02310	1.2
252.09302	0.5
255.02847	0.8
259.05981	1.8
261.03894	2.5
262.04578	0.6
272.03137	0.7
273.03918	7.1
277.07108	1.7
287.05502	2.7
288.43079	0.3
289.03430	4.8
290.04092	2.8
300.02585	0.8
301.03391	11.4
302.03912	0.4
303.04916	0.3
304.05823	1.0
315.05011	0.7
318.03687	16.9
319.04065	0.6
333.06009	100.0
334.06360	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	332.2177
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
51.38844	0.6
55.01868	1.0
55.05490	1.2
57.03417	0.9
60.04222	1.2
60.04517	21.0
67.05476	1.3
69.03412	1.9
69.07067	8.2
70.02950	1.1
70.06593	2.0
71.52503	0.8
71.52869	0.9
72.08132	1.5
78.26614	0.6
78.35802	0.6
79.05488	1.1
81.03378	1.0
81.07046	1.2
83.04980	0.9
83.08619	1.1
84.04498	0.7
84.08154	1.1
85.02891	3.4
86.06052	0.8
86.09695	100.0
87.05579	10.5
91.05491	3.2
93.07032	1.3
95.04989	1.4
95.08611	1.2
95.93651	0.7
97.06528	1.0
98.98458	13.1
105.06599	1.4
107.08598	1.0
108.08134	0.7
109.02870	0.8
110.09687	1.5
113.09613	1.1
120.08109	4.6
120.83177	0.7
121.06516	0.8
123.04426	2.2
127.03986	0.8
128.10703	9.8
132.10184	8.3
137.05931	1.0
139.03909	2.4
145.04915	0.7
151.03886	1.3
153.05408	0.7
153.12718	2.6
157.97643	0.6
161.05989	0.8
162.05469	0.8
163.03882	1.5
165.05458	2.0
167.07162	1.0
171.13783	1.5
173.12842	85.8
174.13358	0.9
181.04999	0.8
193.08743	0.8
195.02850	2.3
196.03210	2.8
199.12401	0.7
201.12315	26.6
219.13344	8.5
227.11836	1.1
242.43642	0.7
245.18596	1.6
270.10068	2.8
272.11597	1.0
273.03745	1.0
301.11868	7.6
315.08627	1.4
332.08203	1.5
332.13211	2.2
332.24487	1.3
333.06039	1.2
333.09879	1.3
333.14307	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
60.04520	20.5
60.50799	0.6
69.03416	0.7
69.07072	0.7
69.69577	3.7
70.02934	1.0
70.06601	0.8
72.04500	1.2
84.08150	0.7
86.09697	83.2
87.05582	15.4
87.10046	0.6
91.05505	0.8
93.07024	0.8
98.20729	0.6
98.98457	7.2
100.11242	0.9
112.11200	0.7
119.08542	0.6
120.08020	0.6
125.31187	0.5
128.10703	9.3
132.10184	4.4
140.06740	0.5
143.45509	0.5
165.05344	0.6
173.12845	100.0
174.13237	0.8
201.12320	25.8
202.12634	0.7
219.13336	1.6
221.90535	0.6
245.18578	1.9
287.26132	0.6
322.77170	0.6
332.08099	0.9
332.24319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68624	1.9
55.05507	10.3
56.05021	7.8
56.96571	2.4
57.03428	3.1
57.07067	11.2
58.02955	7.5
60.04523	28.1
63.30560	2.0
67.05499	12.5
67.10462	2.0
69.07069	17.3
70.02956	3.1
70.06581	4.7
70.14312	4.1
70.14720	6.5
71.01337	3.8
71.08620	7.5
72.04513	100.0
72.24742	2.0
79.05473	6.9
81.07043	18.3
81.66148	2.4
82.06582	2.7
83.04979	3.4
83.08607	12.6
84.04507	21.8
85.02902	13.8
85.10157	4.6
86.06062	6.2
87.04446	6.2
88.03957	2.4
88.07607	5.5
90.53939	1.8
91.05466	8.8
93.07045	4.5
95.08599	11.5
96.04504	1.9
97.06548	2.6
97.10165	8.3
98.21403	2.7
98.98466	35.2
100.03975	3.3
102.05553	4.3
102.09154	4.0
105.07008	4.7
107.08598	4.7
109.10123	4.4
111.11697	3.0
113.66114	1.9
117.07031	2.4
119.08590	3.6
121.10165	2.9
123.11716	2.9
125.13219	2.2
128.06253	2.0
133.10138	5.2
137.05963	5.9
143.08536	3.7
149.69743	2.0
159.11778	2.1
166.18849	2.8
171.11676	2.4
173.13289	2.1
176.98944	3.3
189.05444	2.9
190.05847	3.0
193.61865	1.8
199.50650	1.9
203.14348	3.1
207.06548	7.2
208.06900	6.1
212.23697	14.7
213.22113	5.3
230.09023	2.0
231.13867	4.5
250.25111	2.3
251.23676	15.7
254.24773	2.3
266.24750	4.0
268.26398	23.9
270.27856	5.4
278.24744	3.8
279.23242	2.7
286.27472	2.8
296.25830	23.1
314.18430	9.7
314.26880	38.1
332.19263	3.1
332.27856	12.3
332.31583	18.5
333.20297	23.4
333.24435	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	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.07062	0.5
53.03931	1.0
55.01869	0.8
56.96569	4.5
57.03420	1.5
61.02922	2.4
65.03922	1.0
67.05497	2.6
69.03425	6.2
70.04010	1.9
70.06586	1.0
71.04987	1.2
72.08141	0.7
73.02913	1.9
79.00066	0.5
79.05487	1.3
80.04995	0.7
81.03419	2.5
81.07038	0.7
84.08127	1.8
84.96036	0.6
85.02901	9.5
85.08442	0.5
86.09669	1.0
87.04457	2.0
91.03918	0.8
93.05760	0.6
94.30039	0.5
96.08118	1.3
97.02886	4.8
98.97572	3.5
98.98452	1.0
99.04453	1.1
106.06538	4.1
108.08109	100.0
109.02865	0.9
109.08434	2.2
110.97531	1.1
116.98601	2.1
119.01881	0.9
122.07188	0.6
123.06813	3.9
124.06728	0.8
124.07587	15.1
125.98675	0.5
127.03873	2.5
128.98633	1.3
131.01828	0.6
134.06006	10.6
134.06993	0.8
135.03067	0.5
136.07567	13.3
140.02345	0.5
143.99658	0.6
146.99641	0.8
152.07054	69.0
153.07401	0.8
154.08612	2.0
158.99727	0.8
170.01993	0.6
170.08075	7.3
170.09192	0.6
177.00708	0.8
178.04849	0.7
189.00661	0.6
191.03807	0.5
206.07089	0.5
213.05092	0.7
219.01630	1.2
222.05060	0.6
230.01361	0.6
236.95644	0.8
237.02844	1.6
296.11383	1.6
314.12308	36.8
315.12473	1.1
317.60605	0.5
321.10242	0.7
332.13376	51.9
333.09866	0.7
333.13626	1.3
350.04456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
54.24236	2.0
55.05507	10.6
57.03423	6.0
57.07071	100.0
67.05497	27.7
69.07059	14.1
69.24490	3.4
69.24895	20.2
71.08238	4.3
71.08625	72.9
75.04462	5.0
75.37856	2.2
79.05445	2.7
81.07044	36.2
83.08613	24.1
85.10172	42.3
85.19717	2.0
88.07584	2.3
88.46970	1.9
95.08601	53.6
97.10166	13.2
98.98454	60.7
99.11681	2.1
100.47512	2.3
100.98895	2.4
109.10149	24.4
111.11686	3.3
114.79549	2.0
123.11643	11.9
125.13287	2.8
137.13219	5.0
142.63274	2.1
151.14862	3.4
176.98947	3.2
191.21637	1.9
221.22557	3.4
239.23663	20.1
257.24637	5.0
313.27335	59.2
331.08035	3.9
331.33789	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.4
57.03431	3.6
57.07069	58.5
61.97960	1.4
62.44017	1.3
67.05498	18.1
69.07059	14.6
71.08240	2.5
71.08623	43.5
71.53224	2.7
75.04461	1.6
78.43878	1.5
79.05479	1.6
81.06602	1.6
81.07052	23.8
83.08609	16.8
85.10176	25.5
86.42281	1.4
91.05476	2.5
93.07006	1.9
95.08601	36.2
97.10165	9.3
98.98459	100.0
99.11729	1.7
107.08553	1.5
109.10157	18.3
111.11713	1.9
111.91633	1.5
116.99514	2.9
119.08577	2.1
121.10170	1.6
122.76077	1.5
123.11701	7.0
127.03824	1.5
137.13202	3.3
140.01039	1.6
143.08504	1.6
153.01833	1.5
174.99188	4.2
176.98849	6.1
239.23682	11.3
257.24478	2.9
313.27322	31.6
331.08127	6.5
331.34030	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	331.2837
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05507	10.3
57.03416	6.3
57.07067	100.0
58.07378	1.5
65.28397	1.3
66.58817	1.4
67.05499	27.8
69.07059	14.8
70.06569	4.5
71.06927	2.1
71.08621	73.8
75.04462	3.3
79.05483	2.1
81.07050	31.7
83.08607	27.1
85.10169	38.3
86.09751	1.3
87.12324	1.4
88.07614	7.8
89.06024	2.5
89.07950	2.0
93.07024	1.7
95.04947	1.5
95.08593	55.6
97.10143	12.6
98.98454	34.7
98.99061	2.9
99.11714	3.9
106.08658	3.1
109.10136	22.5
111.11729	3.6
113.13251	1.8
123.11662	11.9
125.13275	3.1
135.16512	1.4
137.13254	5.8
156.26357	1.4
165.16270	2.1
176.98901	1.7
215.06880	1.5
221.22755	1.9
239.23676	18.8
255.97816	1.6
257.24747	6.7
298.72369	1.5
313.27341	59.2
313.33008	4.2
331.08066	3.2
331.33975	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.1
57.03424	7.7
57.07071	100.0
58.06589	2.7
65.62132	1.6
67.05497	24.2
69.07053	14.5
70.06583	7.7
71.06912	2.1
71.08625	67.4
75.04473	4.5
79.05501	2.2
81.06594	2.8
81.07047	33.5
83.08612	21.0
85.06544	2.3
85.10178	32.8
88.07625	7.6
91.05470	7.0
95.08598	46.2
97.10167	11.1
98.21520	5.6
98.98456	89.6
102.09189	2.0
106.08655	2.7
109.10146	19.0
111.11713	2.2
116.99518	2.3
123.11663	9.1
125.13210	2.0
137.13220	3.4
151.14828	2.2
176.98909	7.9
239.23662	15.2
257.24817	5.0
301.03372	2.3
313.27335	49.5
313.32892	3.4
331.08191	4.6
331.33997	67.1
332.33252	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	331.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59056	0.7
52.57385	0.7
55.01871	1.7
56.96550	0.8
57.03428	0.7
57.07071	1.0
59.57119	0.8
67.01872	1.2
67.05482	0.7
68.99786	1.8
69.03420	1.4
70.06588	3.9
71.06910	0.9
71.32287	0.9
71.32629	1.8
72.08143	1.4
79.05495	1.4
81.03382	1.0
83.06103	1.1
84.04485	2.5
84.08122	2.0
85.02892	3.3
86.09702	4.1
91.05460	1.5
95.04952	1.4
97.02877	1.8
98.98458	100.0
100.98880	2.3
103.03915	1.5
105.03385	1.7
105.07037	1.0
107.04955	2.2
109.02869	2.2
111.04436	1.0
116.99473	5.2
121.02862	1.7
123.04408	5.7
127.03905	2.7
129.10242	1.3
131.04935	1.1
133.02762	1.0
135.04414	2.1
137.05966	1.1
138.03690	0.9
139.03891	5.6
145.06442	1.4
147.04391	4.7
151.03891	5.8
152.38542	1.0
153.01944	1.2
161.05923	1.5
163.03917	6.5
165.05496	4.5
167.07050	0.9
169.04962	4.7
173.06026	1.0
174.99182	3.3
175.03909	3.4
176.98926	8.4
177.99266	0.9
179.03336	1.1
181.04936	13.5
184.04230	2.9
185.04572	2.9
187.03915	2.1
189.05438	1.8
191.07051	1.0
193.04970	18.0
205.04942	3.3
207.06496	5.7
211.05991	11.1
211.07753	1.0
217.04846	1.2
229.04962	4.2
235.05977	13.0
241.04919	1.8
247.06009	13.9
252.99657	1.3
259.06073	7.0
265.07089	1.5
277.07104	2.7
295.07974	1.2
316.05569	0.9
331.04367	1.8
331.08151	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	331.1019
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.26210	1.0
55.01868	3.1
57.03420	2.1
59.73267	1.2
61.01165	1.1
61.02911	1.9
67.01867	1.9
67.05490	1.6
68.99779	1.8
69.03417	1.1
70.06583	5.0
71.04498	2.1
72.08134	1.9
73.02909	1.0
79.05498	2.1
81.03421	2.0
83.04959	1.3
84.04498	5.2
84.08122	1.9
85.02898	9.2
86.09691	6.5
89.00573	1.5
89.02388	1.4
91.05479	3.0
93.03382	1.1
95.04979	2.0
97.02882	2.6
98.98458	100.0
100.98866	1.5
103.03960	3.1
103.05452	1.8
105.07028	3.4
106.59280	1.1
107.04946	1.5
109.02867	4.2
115.05480	1.6
116.07146	1.1
116.99522	4.2
119.04942	1.9
121.02895	1.1
123.04410	9.1
127.03905	2.3
131.04935	2.6
132.05684	1.7
133.02782	1.2
133.06497	2.9
135.04405	1.2
137.05946	1.9
139.03870	8.3
144.06548	2.8
145.06476	2.4
147.04399	9.9
149.05902	1.3
150.01376	1.1
151.03885	13.6
155.07034	1.9
159.04416	1.5
161.05923	5.5
161.09230	2.8
163.03868	15.8
164.07074	1.1
165.03766	2.8
165.05513	8.1
167.07114	2.2
169.04951	12.0
169.08556	1.3
173.05908	1.7
174.99185	3.2
175.03879	5.1
176.98915	7.4
177.05394	2.4
179.06972	1.5
181.04945	32.1
187.03943	4.3
188.14691	1.3
189.01857	1.4
189.05444	4.4
191.07001	4.0
192.07835	2.6
193.03146	4.2
193.04922	43.5
195.02890	1.4
201.05460	2.6
205.05009	5.9
207.06483	13.4
211.05989	31.2
213.05396	2.2
217.05098	2.0
217.34702	1.1
219.06477	1.4
229.04974	7.4
231.06540	3.0
235.05992	32.7
235.89632	1.5
241.04985	5.4
247.05989	35.9
248.06448	1.4
249.07735	1.6
259.06012	16.4
265.07077	4.4
277.06976	9.4
295.08270	5.3
301.03424	1.7
316.08948	4.1
331.07846	5.6
331.11685	2.2
331.20923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05500	1.3
56.05011	1.0
56.96559	9.1
57.03434	1.3
57.07056	1.0
60.04512	0.8
60.05634	1.2
61.02905	0.8
61.35868	0.7
65.03917	1.4
67.05479	1.3
68.99785	1.0
69.03419	4.3
69.53092	6.4
70.06580	4.8
71.04981	0.7
72.08144	5.6
73.02898	1.5
77.12388	0.8
81.03395	1.1
83.04972	1.0
83.06091	1.1
84.04491	38.1
84.08128	16.2
84.96021	1.5
85.02893	6.7
86.09693	71.2
87.10049	1.0
91.05447	1.7
95.04966	1.5
97.02875	3.1
98.97583	6.6
98.98452	100.0
100.98869	2.4
101.07127	7.3
102.05512	2.2
107.04928	2.1
108.08101	2.0
109.02932	1.6
110.97543	1.2
111.04423	1.8
112.07616	1.0
115.08643	0.8
116.07115	1.1
116.98611	6.6
116.99474	3.6
121.06396	1.1
123.04398	1.9
127.03934	2.4
128.98586	3.0
129.10204	9.1
130.04980	58.1
130.08589	1.9
134.99631	3.4
135.04356	1.3
136.06180	1.1
137.05936	1.2
139.03882	30.1
140.04248	1.1
143.00154	0.9
144.06619	1.0
145.04881	1.3
146.99623	2.9
147.07623	74.9
147.11255	2.1
148.06026	1.8
151.03880	1.5
152.06992	1.4
153.05414	0.8
157.13338	26.7
158.99655	1.6
161.01180	1.3
161.09216	1.0
163.03888	4.1
165.07893	0.9
174.04465	1.2
174.99185	3.7
176.98917	7.6
177.00679	3.6
178.03732	1.0
185.12851	8.5
186.04303	1.4
189.00682	1.4
190.95361	1.0
201.00565	1.0
211.02818	1.1
219.01730	2.6
237.00670	1.3
237.02800	6.4
238.04947	1.0
243.01804	0.9
247.05389	1.0
249.34499	1.0
260.16046	2.8
322.06894	1.4
322.78436	0.9
331.07880	2.3
331.23349	3.8
332.13562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Malvidin
Peak:m/z	Relative Intensity
51.41496	0.1
66.20392	0.1
68.86534	0.1
68.99801	0.2
70.55713	0.1
71.13464	0.2
92.53664	0.1
98.98465	1.9
105.07719	0.1
108.02057	0.3
110.56571	0.1
113.88132	0.1
153.01782	1.9
153.61722	0.1
154.02571	0.5
163.03847	0.2
172.45346	0.2
174.99245	0.2
178.02583	0.5
179.07094	0.2
203.03264	0.2
213.05574	0.4
214.06284	0.3
216.04111	0.2
217.04881	0.2
224.04869	0.2
229.04979	0.3
241.04892	1.0
242.05693	5.4
245.04454	0.2
253.04919	0.5
255.02945	0.4
257.04395	0.2
258.05228	6.3
259.05820	0.2
269.04495	0.9
270.05191	13.9
271.05664	0.7
273.03925	3.1
274.04495	0.2
285.03897	1.2
286.04697	1.9
287.05469	7.3
288.05814	0.2
298.04623	0.3
299.05475	1.4
301.03360	3.2
302.04172	4.1
313.03412	3.1
313.07007	0.2
315.04944	58.6
316.05634	6.2
316.08542	0.2
317.06140	0.2
331.08072	100.0
332.08429	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86882	0.1
53.03934	0.3
55.01875	0.3
56.05027	0.2
57.03429	7.5
65.03938	0.5
67.01862	0.2
67.05487	0.1
67.11057	0.1
68.99770	1.0
69.03419	0.1
69.07059	0.3
69.91119	0.6
70.06592	1.1
72.08139	0.4
76.02207	0.1
79.05487	0.2
81.03411	2.9
81.07056	0.2
83.01340	0.7
83.04965	0.2
84.04497	0.5
84.08136	0.3
85.02894	19.3
86.09689	1.9
87.10049	0.2
89.53770	0.1
91.05445	0.1
93.03378	0.4
95.04968	0.3
97.02865	1.2
98.98454	6.0
99.04436	0.2
100.98864	0.1
107.01289	1.0
107.04921	0.1
107.08548	0.2
109.02869	2.8
110.03653	0.1
111.00794	1.0
111.04432	0.3
116.99461	0.2
121.02845	1.8
123.04382	0.7
124.07571	0.2
125.02340	3.6
127.03899	0.6
129.01831	0.1
129.10219	0.1
135.00787	0.3
135.04399	0.5
137.02313	0.3
137.05998	0.2
139.03880	0.8
146.11797	0.2
147.04399	0.2
149.02310	1.5
152.07091	0.1
153.01817	2.2
158.09224	0.2
162.02292	0.1
163.03864	0.7
164.07069	0.2
167.03378	1.1
171.02864	4.1
174.99130	0.2
176.98929	0.5
177.01814	1.8
177.05399	0.3
186.08733	0.2
193.04907	0.2
193.07231	0.2
193.12413	0.1
195.02863	100.0
196.03218	1.4
213.03860	1.0
271.05856	0.2
273.03836	0.2
288.06314	0.2
289.06985	0.5
313.06873	0.6
316.05627	0.5
331.04205	0.3
331.08014	3.6
332.08099	0.2
340.85718	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	331.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.3
53.03938	3.0
55.01864	7.5
55.05492	1.3
57.03415	2.6
57.07061	1.5
58.99585	9.7
59.62384	1.4
61.01149	7.7
69.07044	1.4
70.06579	2.9
70.81496	3.1
71.01329	4.0
72.08139	2.7
75.05577	3.6
76.02212	3.5
77.00620	2.1
79.05481	8.0
81.03391	1.9
81.07054	10.9
83.04949	2.3
83.06078	5.6
84.04471	5.3
84.08128	2.0
85.01115	5.8
85.02846	2.1
86.09700	8.7
86.99035	4.7
87.02695	23.1
89.00607	19.6
89.02386	13.7
90.04699	1.6
91.05480	8.5
93.07032	1.7
95.04947	10.4
95.08595	2.3
96.04534	1.5
97.06554	1.3
98.98456	100.0
99.08057	1.3
100.98856	2.6
102.04684	2.3
102.98508	2.3
103.05457	22.9
104.06205	2.0
104.07095	1.5
105.00054	1.3
105.07021	42.9
107.04939	2.6
111.04372	1.6
115.02164	9.7
115.05446	8.7
116.99484	3.5
118.04145	12.5
119.04931	3.1
120.08101	1.3
120.99547	12.4
121.06463	2.6
122.01806	1.8
123.04431	15.8
124.07582	1.7
129.06583	6.9
129.10219	2.0
130.04117	6.6
131.04916	37.3
132.05702	35.6
133.02820	1.5
133.06491	29.1
134.01826	6.0
135.02608	3.5
137.00565	1.5
137.05939	2.0
139.03879	6.2
140.04668	4.1
143.06015	2.4
145.00900	1.2
146.03558	2.8
147.02592	4.7
147.04388	8.2
148.05200	1.4
149.00583	1.9
149.05942	2.2
150.01343	17.5
150.66495	1.3
151.02126	3.2
151.03854	2.1
154.06248	9.4
155.07027	41.8
155.08263	3.1
156.08380	4.3
157.06764	3.2
160.05191	9.2
161.00587	3.6
161.05971	26.8
162.01326	10.9
163.02086	4.4
165.03679	32.7
165.05116	1.8
166.06140	1.4
167.07019	18.1
173.05966	4.8
174.09409	3.8
174.99246	2.7
175.03806	2.4
176.04663	12.4
176.98926	4.5
177.05518	8.7
177.09169	1.3
178.00850	12.2
179.01564	3.2
179.06993	5.5
181.04953	2.9
184.01949	1.4
186.08659	2.0
187.05458	1.4
190.00826	11.5
191.01576	3.9
191.07011	58.2
192.07793	43.3
192.09312	0.7
192.09612	1.3
192.99597	1.6
193.03171	41.8
193.04971	2.1
193.08485	8.0
194.09413	8.6
195.02890	6.0
208.01939	8.5
209.02623	6.7
209.05559	2.4
210.03487	3.1
223.04208	19.9
223.06287	1.8
225.05737	12.2
233.05966	2.6
239.06895	1.4
241.05328	6.2
243.06856	3.1
270.08319	1.9
271.09619	2.9
278.99203	1.6
313.07077	2.3
316.05698	1.8
316.08978	5.1
331.08246	41.3
331.12808	9.9
331.21170	1.3
343.03625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0808
Annotation	Dillenetin
Peak:m/z	Relative Intensity
52.57220	0.2
66.73521	0.2
67.01948	0.4
67.05578	0.3
81.07174	0.3
84.15968	0.2
85.03001	0.3
92.49508	0.2
98.20706	0.5
98.97887	1.4
98.98602	12.8
105.07129	0.3
107.04990	0.3
109.06626	0.2
116.99588	0.5
120.08189	0.3
122.95274	0.2
123.04547	0.3
124.01665	0.4
137.02440	0.6
137.06136	0.4
140.10773	0.2
149.02412	0.5
153.01817	9.4
161.02312	2.7
161.06140	0.3
164.04836	0.9
167.03468	0.7
170.88220	0.2
171.61053	0.3
173.93303	0.3
174.99272	0.4
176.99124	0.8
179.03534	0.8
193.97186	0.2
195.02954	0.4
201.10298	0.3
203.08336	0.3
205.01358	0.4
213.05446	0.6
214.06233	0.5
215.12044	0.3
217.04907	1.5
241.04913	1.6
242.05708	2.7
245.04422	15.2
246.04860	0.4
247.06044	0.3
247.09859	0.3
269.04550	0.6
270.05060	0.3
273.03900	11.9
274.04410	0.5
285.03931	0.9
285.12189	0.3
287.05460	1.0
288.06256	20.3
289.06628	0.7
301.03323	1.3
313.03589	1.6
313.06839	0.4
313.11761	0.6
315.04965	1.1
316.05734	53.0
317.05994	1.7
331.04434	10.1
331.08051	100.0
332.04788	0.6
332.08322	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0797
Annotation	Dillenetin
Peak:m/z	Relative Intensity
50.82847	0.1
54.58350	0.1
58.30450	0.1
59.80718	0.1
65.03957	0.1
68.99786	0.1
69.07053	0.3
71.15945	0.1
71.52096	0.1
77.83060	0.1
81.07039	0.1
84.04501	0.2
85.02921	0.1
91.05470	0.3
95.04968	0.1
98.98453	4.9
105.07048	0.1
107.04945	0.2
108.02099	0.2
109.02861	0.1
109.10132	0.1
115.05453	0.1
116.99508	0.1
118.04150	0.2
119.04934	0.2
123.50131	0.1
124.01523	0.1
127.49239	0.1
129.07019	0.2
133.02800	0.1
135.04471	0.2
135.08041	0.1
136.01588	0.2
137.02353	0.2
137.05940	0.7
145.06412	0.1
147.04422	0.1
147.27158	0.1
149.05977	0.2
150.03166	0.1
151.03947	0.1
151.07504	0.9
152.21524	0.1
153.01810	2.2
153.02997	0.1
154.02586	0.5
157.06413	0.1
161.05977	0.2
163.03917	0.3
163.07571	0.2
164.04680	0.1
165.01784	0.1
165.07022	0.1
171.02762	0.1
174.99141	0.2
175.03906	0.1
176.98921	0.4
178.02615	0.7
179.03354	0.2
179.07045	0.2
185.05934	0.2
189.09106	0.3
192.04140	0.1
195.02811	0.1
195.07961	0.2
197.05862	0.1
201.05415	0.1
203.03380	0.3
210.06778	0.1
211.07474	0.1
213.05324	0.4
214.06236	0.3
215.03488	0.1
216.04109	0.2
217.04860	0.1
224.04735	0.2
227.10681	0.2
229.04903	0.6
231.06517	0.1
241.04887	1.0
242.05695	6.0
243.06187	0.2
245.04428	0.4
252.04091	0.2
253.04800	0.6
253.08691	0.1
253.12190	0.2
255.02850	0.4
255.10107	0.2
257.04474	0.4
257.08105	0.1
258.05200	6.1
259.05737	0.3
269.04486	1.0
270.05194	14.3
271.05579	0.5
271.09729	0.1
273.03906	3.5
274.04324	0.2
285.03891	1.5
285.11145	0.3
286.04663	1.9
287.05457	7.8
287.12589	0.4
288.05960	0.5
298.04596	0.2
299.05411	1.4
301.03387	3.8
301.06387	0.1
302.04150	4.8
303.04700	0.2
313.03397	4.0
313.06946	0.1
313.14413	0.2
314.03653	0.1
315.04929	60.9
316.05603	7.3
317.06033	0.2
331.04788	3.6
331.08057	100.0
332.05029	0.2
332.08417	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	331.0808
Annotation	Malvidin
Peak:m/z	Relative Intensity
53.03934	0.3
55.01860	0.4
57.03425	0.3
57.85306	0.2
60.66005	0.2
65.03924	0.4
67.05495	0.7
69.03388	0.3
69.35271	0.5
69.35675	1.5
75.74702	0.2
79.05490	0.4
81.03407	0.4
81.07052	0.5
83.01332	1.2
83.04978	0.3
85.02840	0.2
91.05466	0.7
93.03396	0.4
93.07031	0.5
95.04955	0.9
95.08550	0.3
97.06504	0.4
98.98455	21.6
100.98864	0.7
105.07005	0.5
107.04924	0.2
109.02881	0.6
109.06489	0.9
111.04401	0.4
116.99491	0.9
117.07033	0.4
121.02850	1.7
123.04415	0.6
129.06923	0.3
131.08531	0.5
133.10106	0.2
135.04427	0.4
135.07976	0.2
137.02339	5.5
137.03407	0.6
137.05972	1.4
140.01035	0.3
142.35381	0.2
145.06383	0.3
145.10123	0.7
147.04346	0.4
149.02307	0.5
151.03889	0.4
153.01826	0.5
153.05565	0.3
154.06117	0.4
155.08540	0.3
157.06546	0.3
159.08060	0.3
159.11722	0.4
163.03897	0.9
165.05473	0.7
165.06920	0.5
167.03333	0.4
173.05931	0.4
173.09659	0.4
174.99232	0.8
175.03888	0.4
176.98940	2.0
177.05498	0.3
177.30838	0.2
179.03413	0.4
181.04929	8.6
183.08064	0.9
187.07475	0.3
190.95367	0.2
191.06966	0.3
193.04947	4.2
194.05746	0.4
197.04343	0.2
201.05374	0.3
201.09131	0.6
207.06525	0.4
211.07523	1.7
213.05530	0.2
214.06209	1.6
219.06531	0.2
222.05396	0.2
224.74353	0.2
229.04994	0.4
229.08563	2.7
233.08069	0.3
236.93799	0.2
239.06993	0.8
241.08635	0.2
242.05711	0.6
247.09520	0.4
255.06346	0.3
256.07294	0.6
257.08066	6.2
267.06546	0.3
270.05194	0.5
271.05826	0.3
273.04178	0.3
275.09103	0.7
285.07547	2.7
287.05356	0.5
299.09027	0.2
301.03345	0.4
302.04776	0.3
302.07755	1.4
303.08096	0.3
313.06943	1.7
313.17993	0.3
315.04944	2.6
316.05713	1.1
329.06439	0.6
331.08075	100.0
332.08426	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	331.0806
Annotation	Malvidin
Peak:m/z	Relative Intensity
53.03924	0.2
55.01856	0.3
55.05502	0.1
62.82817	0.1
65.03914	0.3
67.05475	0.4
68.99786	0.2
69.03384	0.1
71.04478	0.1
71.04818	0.2
79.05471	0.3
81.03400	0.4
81.07028	0.3
83.01330	1.8
83.04951	0.3
85.02908	0.2
91.05450	0.5
93.03410	0.6
93.07036	0.2
95.04949	0.6
95.08538	0.1
97.02875	0.3
97.06485	0.2
98.98454	7.2
100.98878	0.2
105.03360	0.2
105.07014	0.2
107.04934	0.4
109.02872	0.5
109.06513	1.0
111.04420	0.4
116.99496	0.1
117.07029	0.1
119.04916	0.1
121.02848	1.8
121.06448	0.1
123.04443	0.6
125.05949	0.2
127.03903	0.2
131.04866	0.2
133.02831	0.1
135.04379	0.3
137.02332	6.3
137.03401	0.5
137.05946	1.3
139.03897	0.1
145.02827	0.1
145.06448	0.3
145.10080	0.3
147.04364	0.5
149.02327	0.4
149.05992	0.1
151.03864	0.3
153.01819	0.5
153.05434	0.3
153.06993	0.1
154.06253	0.3
155.08505	0.5
158.07249	0.2
159.08022	0.2
163.03920	0.9
165.05447	1.1
165.06934	0.4
167.03326	0.2
168.05695	0.2
173.05945	0.4
173.09558	0.3
174.99147	0.3
175.03978	0.2
176.98907	0.5
177.01747	0.2
177.05431	0.2
179.03348	0.4
181.04929	10.2
182.05296	0.2
183.07990	0.8
187.03920	0.1
191.07034	0.2
193.04947	4.9
194.05624	0.5
195.02887	0.3
197.04327	0.1
197.06021	0.1
201.05446	0.4
201.09047	0.7
204.07953	0.1
205.08670	0.1
207.06523	0.4
209.06004	0.1
210.06767	0.2
211.07553	1.3
213.05414	0.2
214.06227	1.7
217.04866	0.1
219.06566	0.2
219.10013	0.1
222.05269	0.2
223.05904	0.3
227.07039	0.2
229.05054	0.2
229.08574	3.2
232.07372	0.1
233.39537	0.1
235.06163	0.1
239.06984	0.6
241.08461	0.2
242.05727	0.6
243.06537	0.2
245.04494	0.2
245.08095	0.2
247.09776	0.6
255.06485	0.5
256.07297	0.5
257.08051	6.3
258.05243	0.2
258.08096	0.1
259.05908	0.1
260.06827	0.2
267.06720	0.6
270.05200	0.5
271.05997	0.2
271.09662	0.4
273.04102	0.2
273.07440	0.3
275.09103	0.7
285.04056	0.3
285.07492	2.9
286.08005	0.2
287.05450	0.3
288.06232	0.3
299.05481	0.4
299.09021	0.2
301.03268	0.3
302.04437	0.2
302.07779	1.7
303.08517	0.3
313.03348	0.6
313.07040	1.3
314.07553	0.2
315.04941	2.9
316.05664	1.1
329.06458	0.6
330.07150	0.1
331.08066	100.0
332.08435	3.4
332.12308	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3362
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07067	7.4
58.06582	0.7
59.69567	0.3
62.06094	0.6
70.06585	12.4
70.57352	1.0
71.08619	3.7
85.10175	1.9
88.07621	14.9
98.57097	0.4
98.98457	2.7
101.72361	0.3
102.09167	4.3
106.08652	9.3
165.61189	0.3
171.46840	0.3
189.05472	0.5
207.06522	0.6
211.77304	0.4
236.50246	0.3
268.30011	0.5
286.30865	0.9
312.32571	6.3
313.17813	0.6
316.25293	0.3
328.66406	0.3
330.33612	100.0
331.33942	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	331.0808
Annotation	Morelosin
Peak:m/z	Relative Intensity
55.05503	0.5
61.40290	0.3
65.03941	0.7
67.05511	0.6
68.99805	1.3
69.03419	5.9
70.06625	0.5
70.12720	1.5
79.05499	0.9
81.03422	0.4
81.07055	0.5
82.48492	0.3
83.04989	0.7
84.04485	0.5
85.02908	0.3
91.05466	1.5
92.99818	0.4
93.03384	2.1
93.07068	0.5
94.19674	0.3
95.04945	0.4
95.08611	0.9
98.98454	34.5
100.11264	0.4
100.98894	1.0
103.05489	0.4
105.07023	0.9
107.01334	0.4
107.04943	0.7
107.08579	0.5
109.02902	1.1
109.10182	0.4
111.04459	1.2
113.02367	0.3
113.04239	0.4
116.99489	1.6
117.03423	0.5
117.07033	0.3
119.04922	0.8
119.08581	0.4
121.06525	0.6
122.03664	0.5
123.04396	0.7
128.06219	0.4
129.07022	0.8
131.08519	0.4
133.02870	0.6
135.04372	1.8
135.08046	0.5
137.02322	7.5
137.03297	0.6
137.05962	3.9
140.01065	0.5
145.10141	0.3
147.04427	0.6
149.05954	0.8
151.03935	1.2
151.07524	3.6
151.11169	0.3
153.01859	1.0
153.06999	0.4
155.03415	0.6
156.08398	0.3
157.06442	0.5
161.02313	4.0
161.05969	1.2
163.07437	0.4
165.07025	0.7
167.03392	0.4
167.07063	0.5
167.08548	0.6
169.04967	1.2
171.08072	0.4
174.99255	1.6
175.03938	0.4
176.98865	3.0
177.05362	0.3
177.07013	0.5
179.03372	24.2
181.06461	0.7
182.07184	0.4
189.09134	1.1
193.04881	0.4
195.02823	0.6
195.08063	1.2
197.04459	2.6
197.05974	0.5
199.07599	0.3
203.03389	0.7
209.06256	0.3
210.06793	0.5
211.07570	0.6
221.09511	0.5
223.07570	0.5
225.09077	0.6
227.10675	1.1
229.04913	0.6
238.06224	0.5
245.04469	2.9
253.08595	0.5
253.12419	0.5
255.10197	1.2
263.05411	0.4
269.04440	0.4
269.08020	0.4
270.05240	0.6
271.06030	1.7
271.09842	0.4
285.04263	0.4
285.07559	1.0
285.11075	0.5
287.05420	0.7
287.12766	2.0
289.03638	0.5
289.07037	0.4
295.06000	2.2
299.05438	0.5
301.03369	1.4
301.06671	0.4
313.07007	100.0
314.07379	2.8
315.04984	2.7
316.05698	1.3
331.08063	56.0
332.04834	0.4
332.08527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0807
Annotation	Dillenetin
Peak:m/z	Relative Intensity
53.95050	0.4
55.05482	0.6
55.15652	0.3
67.05457	1.2
69.07031	0.6
71.52584	0.5
79.05441	1.0
81.07013	1.2
83.04939	0.5
91.05428	1.3
93.06982	0.7
95.04898	0.8
95.08552	0.7
97.02853	0.8
97.06474	0.7
98.98456	43.1
100.98830	0.8
105.07002	0.6
109.10034	0.4
116.98608	0.7
116.99452	1.6
119.08574	0.5
127.03882	0.7
135.04413	0.5
137.02271	1.4
137.05969	0.6
140.01047	0.6
143.08524	0.4
145.10086	0.7
147.11670	0.4
149.01193	0.5
151.03879	0.7
151.07466	0.4
153.01765	2.4
154.02521	0.5
165.06964	0.4
174.99232	1.8
175.03888	0.5
176.98871	3.0
177.00348	0.5
178.02614	0.6
179.06960	0.8
181.04871	0.5
195.02806	1.1
203.03391	0.5
210.06670	0.4
213.05392	1.0
229.04961	0.5
241.04947	0.6
242.05699	5.0
245.04405	0.6
245.26900	0.4
250.09569	5.0
250.59813	0.8
253.04907	0.6
258.05188	5.3
269.04474	0.8
269.16409	0.6
270.05200	12.3
271.05838	0.7
273.03943	3.2
273.07602	0.6
285.03912	1.2
285.07480	1.5
286.04572	1.2
287.05450	6.6
288.06015	0.4
298.04633	0.6
299.05466	2.1
299.08585	0.4
301.03442	4.2
302.04141	4.8
313.03360	3.1
313.07004	1.8
315.04944	56.0
316.05643	6.7
331.08078	100.0
332.08362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.1
56.05021	1.0
57.07062	3.0
59.04994	1.1
60.04508	3.4
62.99719	1.2
67.05494	4.8
69.07051	2.5
70.06592	1.6
71.08614	1.1
71.28524	2.0
79.05469	3.5
81.07053	4.7
83.08603	1.8
84.04485	4.8
87.04466	9.3
88.07609	3.3
91.05444	1.8
93.07012	3.1
95.08592	4.0
98.98454	100.0
99.08062	1.1
101.05989	2.5
102.05511	1.3
102.09147	1.7
104.82636	0.9
105.06995	2.1
107.08556	2.2
109.10138	2.4
116.99454	4.1
119.08541	1.2
119.51914	0.9
121.10076	1.8
130.04980	3.8
139.86786	0.9
140.01001	2.0
148.06010	3.3
148.74954	0.9
159.59149	1.2
173.11696	2.3
174.99188	4.9
175.99501	1.3
176.98909	6.6
270.27859	3.1
277.21579	1.4
315.08679	1.5
330.10867	2.8
330.29950	14.0
330.33615	5.9
331.08038	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	329.1492
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
65.03936	0.5
67.05513	0.3
70.06586	1.3
70.48766	0.5
70.49171	0.4
72.08157	1.2
79.05470	0.4
81.03397	0.5
81.07047	0.4
84.04504	0.6
84.08131	0.8
85.02914	0.3
86.09702	1.6
91.05471	26.0
92.05794	0.5
94.14597	0.2
94.89079	0.2
95.04900	0.3
98.20821	0.2
98.98454	58.4
100.98889	0.5
103.05450	0.3
107.04941	2.4
108.92173	0.2
109.06515	0.8
110.07119	0.3
116.99478	2.5
117.05626	0.2
118.06523	1.0
119.04928	16.7
120.08092	8.8
120.08957	0.5
121.06487	1.4
123.04423	0.5
125.05981	0.2
127.03911	0.3
129.10208	0.2
130.06526	0.3
131.04895	0.3
132.08116	0.5
133.63557	0.2
135.04449	0.2
136.07561	100.0
137.02342	0.8
137.07927	1.6
140.01045	0.4
146.05978	1.3
147.04402	0.6
154.34436	0.2
154.72313	0.2
161.02403	0.3
166.08615	4.1
167.03329	0.2
174.99203	4.7
175.99628	0.4
176.98889	2.5
184.04675	0.3
185.06006	0.3
192.06508	0.4
206.08098	1.2
208.05151	2.1
215.13924	0.3
236.04688	0.4
240.04228	0.4
250.99933	0.6
252.99384	0.3
254.05673	0.3
269.08044	1.2
271.05984	0.5
272.06757	0.6
282.05151	0.3
283.14337	0.7
284.12820	0.4
299.05576	0.7
300.06155	1.6
301.06979	0.5
312.12244	0.9
315.08575	3.6
329.06537	6.8
329.10367	0.8
329.14948	3.2
329.21359	0.3
330.06934	0.8
330.10934	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03440	0.4
58.15592	0.3
60.04514	0.3
67.05495	1.5
69.07057	2.3
79.05488	1.6
81.07050	4.1
83.08608	1.5
91.05497	2.1
93.07027	1.8
95.04932	0.6
95.08598	1.7
97.06497	0.4
97.10173	1.0
98.98457	100.0
100.98872	0.7
103.05470	1.4
105.07025	3.2
107.04933	0.4
107.08585	1.1
109.06519	1.5
109.10152	2.7
115.05442	1.7
116.99479	3.6
117.07010	0.7
118.04177	0.4
119.04937	1.7
119.08502	0.4
121.10116	2.3
123.04434	0.5
123.08086	0.7
123.11682	0.9
128.06219	0.4
131.04933	0.7
131.08585	0.6
133.06487	1.1
135.11684	1.0
137.05951	0.8
140.01051	1.8
143.08531	0.5
145.06464	0.7
145.10147	0.4
146.03601	0.4
147.04375	1.8
149.06021	0.4
151.07584	1.1
153.06960	0.7
155.04959	0.4
155.08589	0.4
157.06506	0.8
161.05963	2.2
163.22833	0.3
164.04649	0.4
167.08507	0.6
169.06496	0.6
169.10123	0.4
174.99219	8.1
175.07574	0.3
176.98872	3.6
177.05481	0.6
179.07089	0.6
181.06479	1.3
183.08052	0.6
185.06056	0.5
185.09575	0.4
187.07538	0.8
189.05473	1.1
189.09178	0.5
191.06992	0.6
195.07936	1.6
197.06047	0.6
198.06763	0.3
199.07524	0.6
201.09190	0.9
203.07024	0.7
207.06506	22.1
208.06859	0.8
209.05966	0.4
209.09692	0.6
211.07570	0.5
213.05492	1.7
213.09138	1.1
214.57884	0.3
215.06967	0.9
215.10727	0.7
217.08578	0.4
221.08124	1.3
223.07666	0.5
225.09367	0.4
226.06175	0.7
227.07054	1.6
227.10651	0.7
229.08702	0.7
231.06540	1.3
233.08096	1.0
235.09785	0.5
237.09082	0.3
239.06944	0.4
241.08591	2.4
243.10188	1.0
245.08049	1.6
247.09586	0.5
252.99657	1.1
255.10216	0.7
259.09644	3.5
261.11227	0.7
269.11978	0.3
269.15210	0.5
273.11194	2.6
283.16858	0.7
286.08270	1.0
287.12695	0.4
293.15302	0.4
297.07629	0.3
297.14896	0.4
299.05548	0.5
311.16367	4.4
314.07846	1.4
315.08554	0.5
329.06509	0.8
329.10205	4.3
329.17404	5.3
329.21188	0.7
329.24722	0.4
330.10864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0636
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03714	0.1
53.03932	0.3
55.01862	0.2
57.03433	0.3
62.01567	0.1
65.03929	0.1
67.01856	0.1
68.99777	0.6
69.03392	0.1
70.06559	0.1
71.06229	0.1
71.06593	0.1
79.01844	0.1
79.05482	0.1
80.02618	0.2
81.03405	1.6
81.03864	0.1
83.01336	0.2
84.80379	0.1
85.02892	2.1
89.03864	0.1
93.03378	0.1
97.02876	0.4
98.98449	5.3
100.77451	0.1
105.57430	0.1
107.01299	0.7
107.04941	0.1
108.01593	0.1
109.02869	0.5
110.03638	0.3
111.00790	0.1
111.04469	0.1
116.99477	0.1
118.04134	0.1
121.02856	0.3
123.04424	0.2
125.02328	0.5
127.03864	0.3
131.14539	0.1
134.03641	0.2
135.04390	1.0
136.05174	1.7
136.06154	0.1
137.02321	8.9
137.03369	0.5
138.03120	1.0
139.03882	0.1
141.01801	0.2
143.03368	0.3
147.04408	0.1
149.02333	0.3
151.03868	0.1
152.06197	0.2
153.01802	0.8
155.03366	0.1
161.02313	1.1
161.05956	0.1
163.03876	0.3
165.01801	0.7
165.05464	0.2
166.02563	0.2
167.03404	0.9
167.04770	0.1
169.06432	0.1
171.02875	0.8
171.04321	0.1
173.05992	0.2
174.99199	0.5
176.04662	0.3
176.98955	0.2
177.01852	0.3
179.03387	0.4
180.05603	0.1
181.06496	0.2
183.02863	0.3
184.05171	0.2
185.04515	0.1
185.05981	0.3
187.03891	0.1
191.03317	0.2
195.02899	0.6
197.05984	0.2
198.06770	0.5
199.07376	0.1
200.04686	0.1
201.05426	0.2
202.02589	0.2
202.06348	0.2
203.03363	0.8
208.05104	0.1
209.05984	0.1
211.03860	0.2
212.04597	0.2
213.05428	0.6
215.06975	0.2
216.04327	0.1
216.07736	0.1
218.05696	0.2
225.05394	0.1
226.06207	0.9
227.07007	1.8
229.04897	1.2
230.05656	0.1
231.06439	0.3
236.04607	0.1
237.05353	0.1
239.03275	0.1
241.04878	0.2
243.06487	2.1
244.07245	1.0
250.99878	0.1
253.04936	0.2
254.05710	0.9
254.08107	0.1
255.06464	0.6
257.04453	0.3
258.05069	0.4
259.05991	2.0
260.06363	0.1
264.03943	0.1
265.04965	0.2
269.04404	0.1
271.05963	6.2
272.06732	7.3
273.07098	0.3
276.06140	0.1
281.04437	0.1
282.05112	0.2
283.05963	0.5
284.06778	0.8
285.07224	0.1
286.04749	0.2
299.01935	0.1
299.05460	3.2
300.06229	27.0
301.06915	3.2
305.06232	0.3
311.05420	0.4
314.04153	0.5
329.06482	100.0
330.06818	3.7
330.10806	0.1
332.05121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1013
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
59.16724	0.5
65.02206	0.5
67.05476	1.2
70.20927	2.5
70.77329	0.5
77.43630	0.4
79.05495	0.6
79.24345	0.5
79.68070	0.5
80.23168	0.5
82.04151	0.5
84.16242	0.5
89.37563	0.5
91.05497	0.6
93.62068	0.4
94.04203	0.5
95.04967	0.7
95.08585	0.6
98.21465	0.5
98.98455	41.1
103.83618	0.6
105.03389	1.0
107.04980	0.8
109.06473	0.8
116.99502	1.7
123.04373	1.3
124.05195	3.1
131.56482	0.5
134.03654	0.6
135.04378	1.2
136.05171	2.7
137.02304	1.6
139.03864	1.9
151.03891	0.8
152.04665	1.3
161.02333	2.2
163.03882	0.8
163.07437	0.7
165.05418	1.5
167.03377	7.9
174.99188	3.6
176.55861	0.5
176.98903	1.3
177.05574	0.5
179.03383	2.1
180.04156	2.1
181.04935	1.9
183.06465	2.7
191.06987	1.9
195.06517	11.2
195.08246	1.1
197.04407	0.7
198.05174	1.0
201.66301	0.5
205.04839	0.6
215.07013	0.9
225.05434	0.5
240.07816	1.6
241.08586	1.9
243.06354	0.8
245.11736	1.2
251.06929	0.8
255.10153	0.7
257.08136	2.5
258.08859	1.5
259.09772	0.8
259.30936	0.6
268.07251	2.2
269.07864	1.0
270.08923	1.1
271.06009	1.6
273.11139	3.9
279.06638	0.8
283.09540	3.0
285.07571	3.3
286.08310	3.3
296.06775	1.1
297.07568	3.0
299.05505	1.5
301.10724	1.5
311.09091	0.8
313.07004	17.6
314.07800	18.9
326.63983	0.5
329.10150	100.0
330.10382	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03941	8.3
55.01858	4.2
55.05498	5.3
57.03418	2.1
57.07072	3.0
64.98645	1.9
65.03923	2.2
67.05503	18.0
69.07058	8.4
69.58459	5.9
69.58884	7.3
71.04982	2.3
77.03928	2.6
79.05495	16.4
81.07038	16.5
83.05000	2.9
83.08614	4.2
88.16061	2.0
91.05466	22.8
93.07030	45.3
93.31984	1.5
94.33053	1.6
95.04961	49.5
95.08602	26.6
97.06514	10.7
98.98452	100.0
100.71953	1.8
105.04507	3.1
105.07016	37.0
107.08578	23.6
109.06517	6.2
109.10138	11.4
117.07034	9.3
119.08572	35.3
121.06478	10.4
121.10133	18.3
123.08055	9.5
123.11707	4.5
128.06236	3.8
129.07004	6.0
130.07744	2.2
131.08559	17.0
133.10095	28.8
135.08055	5.4
135.11691	6.1
137.09641	2.3
141.06915	2.6
142.07768	6.4
143.08543	12.4
144.09328	3.1
145.10120	22.8
147.08076	2.1
147.11693	7.6
149.09615	3.6
149.13240	2.3
152.06187	14.6
153.06993	6.9
155.08562	4.2
156.09319	4.7
157.10103	19.1
159.08034	3.0
159.11667	21.8
161.09616	7.3
161.13264	3.2
163.11189	1.9
165.06952	2.3
168.05701	4.6
168.09340	2.6
169.10109	7.9
171.11699	7.5
173.09488	2.3
173.13283	9.4
174.99245	8.4
175.14821	11.5
181.10181	2.6
183.11667	6.1
185.13255	4.8
187.11169	3.3
187.14839	6.1
194.10898	2.2
195.11734	5.1
197.13254	6.9
199.14825	7.9
201.16399	1.9
206.10814	1.9
207.11676	3.3
209.13271	4.5
211.14842	4.0
215.02469	2.1
217.15704	2.3
223.14717	2.4
225.16373	2.9
228.09357	3.8
233.03635	12.0
234.03880	2.0
235.14922	3.7
239.17987	2.5
251.04634	6.7
263.59192	1.9
297.18448	1.9
309.22034	4.1
327.07773	47.4
327.23141	12.8
328.08081	5.6
333.97620	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.3
53.03929	3.3
55.01865	3.8
55.05500	15.7
57.03425	2.8
57.07061	5.7
62.59874	2.5
67.05502	28.1
69.03418	3.2
69.07059	14.3
71.04977	2.5
79.05491	19.3
80.55614	2.6
81.03413	4.3
81.07049	31.9
83.04971	3.4
83.08605	5.0
85.06520	3.1
91.05473	38.4
93.07037	62.2
95.04956	72.7
95.08601	54.0
97.06514	15.1
98.20707	4.1
98.98459	100.0
99.98355	2.9
105.04564	3.1
105.07021	56.2
107.08576	35.0
107.23780	2.6
109.06528	11.5
109.10158	20.7
116.99524	3.0
117.07005	15.7
119.08566	59.2
119.09361	3.8
121.06503	12.8
121.10142	29.5
123.08057	9.7
123.11694	9.7
128.06224	8.7
129.07011	8.1
130.07713	4.3
131.08562	25.6
131.76126	2.3
133.10126	40.4
135.08061	9.1
135.11710	9.8
137.09615	4.3
141.06956	3.8
142.07785	11.4
143.08556	21.2
144.09355	5.0
145.10112	35.6
147.07971	2.9
147.11691	15.2
149.09645	2.8
153.06985	3.0
155.08534	5.5
156.09312	8.6
157.10120	31.1
158.10898	5.0
159.08116	3.5
159.11693	38.7
161.09633	16.2
161.13239	4.7
165.07184	2.5
167.08560	4.0
169.10123	18.0
170.10880	4.3
171.11705	9.4
173.13275	14.3
174.99243	10.4
175.11111	5.0
175.14793	22.4
179.08603	4.0
181.10112	7.1
182.10909	2.7
183.11726	11.9
184.08864	2.4
184.12437	2.8
185.13240	6.0
187.11237	6.5
187.14810	15.4
194.10873	5.5
195.11655	7.7
197.13281	8.1
199.14844	7.6
207.80934	2.7
209.13223	6.2
211.14864	6.6
213.16406	7.3
217.15886	6.2
221.13309	3.8
223.14816	4.0
225.16321	3.2
227.14348	3.2
235.14781	5.4
253.15892	2.7
265.19492	2.7
309.22168	6.9
324.63608	2.7
327.07944	3.1
327.23193	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
55.05503	17.9
67.05181	1.1
67.05491	5.7
69.03405	2.1
69.07056	8.5
70.57957	1.3
70.58347	1.7
73.23944	0.9
79.05482	9.8
81.07047	6.3
83.04958	1.4
83.08604	12.5
85.06517	0.8
91.05459	4.5
93.07037	4.9
95.04993	0.8
95.08601	3.7
97.09566	1.3
97.10161	25.5
98.98454	100.0
103.28829	1.1
105.07018	7.9
107.04934	0.9
107.07880	1.8
107.08582	27.8
107.09310	1.5
109.06507	1.1
109.10159	1.4
116.99506	2.9
117.07051	1.3
119.08566	2.9
121.10108	1.7
125.09612	23.3
133.10101	3.6
135.08044	2.2
135.11694	1.0
140.01096	1.1
143.10683	1.4
145.10121	2.7
147.11668	2.6
149.09596	2.1
153.09093	1.6
159.11658	1.7
163.11203	1.0
170.11801	0.9
171.10153	2.7
173.13315	1.0
174.99207	8.7
176.98903	3.6
181.12199	1.1
189.11206	31.1
239.17993	1.3
250.99785	1.1
252.99706	1.0
257.18933	3.2
264.67514	0.9
275.20013	27.1
293.20975	2.2
294.93372	0.9
328.19498	0.9
329.06598	1.7
329.10184	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68909	4.5
55.01855	11.1
55.05505	32.0
57.03423	17.2
57.07058	17.4
67.05499	73.5
69.03417	7.4
69.07063	48.9
69.81459	26.6
71.05001	5.7
77.76606	4.9
78.53155	4.8
79.05472	43.5
81.03384	4.9
81.06588	7.7
81.07043	100.0
83.04951	11.8
83.08608	23.4
85.06499	7.4
91.05472	35.6
93.07029	54.0
95.04942	8.7
95.07985	5.1
95.08603	66.5
97.06519	11.6
97.10145	16.6
105.07024	32.5
107.08571	41.8
109.06480	9.2
109.10136	34.9
111.08068	11.4
117.06998	10.4
119.08547	23.3
121.06473	8.0
121.10124	40.9
122.81766	4.8
123.08086	7.4
123.11673	24.6
125.09656	7.2
131.08597	21.2
133.10100	21.2
135.11650	41.4
137.09569	10.8
139.11188	4.6
145.10069	18.0
147.11630	17.6
149.09613	8.0
149.13251	10.9
155.08464	4.5
159.11652	10.3
161.13199	7.2
163.11067	7.4
165.01753	5.4
165.12720	5.1
173.13208	7.7
175.11037	5.5
181.12100	5.5
215.18097	21.9
219.82643	4.5
233.18959	31.5
251.20010	5.8
257.18777	5.6
263.19876	7.0
269.08069	9.0
275.20084	44.8
293.21033	7.0
307.22562	8.3
325.24103	7.3
325.27380	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	325.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35852	2.3
51.02413	2.7
53.03935	4.2
55.01859	7.9
55.05506	18.5
57.03420	3.6
57.07056	5.9
63.02303	2.7
65.03918	3.3
67.05493	59.6
69.03394	4.3
69.07055	23.7
70.06567	4.9
71.04984	5.4
71.53143	2.9
79.05479	56.9
81.03393	5.9
81.07045	75.6
83.04952	7.5
83.08627	14.3
84.08154	3.9
85.02898	4.2
85.06522	6.0
86.06043	5.5
91.05469	52.9
93.06483	5.0
93.07031	68.3
95.04953	15.3
95.08596	57.1
97.02914	3.5
97.06501	13.7
97.10152	7.1
98.09674	2.9
99.08089	3.9
100.07613	7.0
105.07016	49.0
107.04940	7.6
107.08575	42.9
109.06506	8.9
109.10155	18.3
111.08068	7.4
113.05972	4.6
114.09123	2.7
115.05475	2.5
117.06957	16.1
119.08574	43.1
121.06454	9.4
121.10127	41.3
123.08067	9.2
123.11700	5.2
125.05934	3.3
125.09612	3.4
127.03951	3.1
128.06248	2.7
129.06960	12.3
131.08548	26.8
133.06499	4.4
133.10109	48.0
134.09578	2.6
135.04440	7.0
135.08025	10.4
135.11668	36.6
136.59148	2.3
137.05975	6.9
137.09599	11.6
139.07535	2.9
142.08678	3.2
142.12198	2.7
143.08549	10.8
145.10100	35.2
147.04393	4.8
147.08028	4.7
147.11682	41.5
149.09610	11.3
149.13261	13.2
150.12788	2.8
151.11125	4.5
155.08507	7.6
156.13943	2.5
157.10103	18.9
159.08080	3.2
159.11693	19.1
161.09581	29.7
161.13251	7.5
163.03911	21.1
163.11150	16.5
165.12825	3.2
169.10107	7.7
171.11641	27.2
173.09616	3.2
173.13292	7.1
175.11172	29.8
177.12715	9.6
178.12224	12.3
179.10695	4.2
181.10120	6.1
183.11584	2.7
185.13223	9.6
187.11156	2.4
189.12711	15.9
193.12190	10.4
195.11685	15.1
199.11165	4.1
199.14732	3.0
200.14792	2.5
203.17928	2.4
206.15364	4.2
207.13826	10.8
209.13300	5.0
211.14874	5.1
213.12706	4.7
213.16360	18.7
227.17863	18.7
229.19565	6.0
233.15393	3.4
237.16353	28.8
245.18964	17.4
255.17393	52.6
255.19781	4.3
262.21622	17.6
263.19974	7.5
267.07092	2.4
272.20050	46.5
273.18445	100.0
273.21274	5.2
289.18311	3.3
290.21097	79.4
290.24277	5.6
291.19479	42.1
291.22501	4.3
307.09756	3.1
308.22156	15.9
325.06937	11.9
325.10535	7.3
325.14288	4.1
325.18103	3.3
325.24713	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	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01869	2.0
55.05508	0.4
57.03436	3.0
59.04979	0.4
61.02912	0.9
63.92920	0.2
69.03423	15.7
70.06592	0.7
70.92350	0.5
71.01342	1.0
71.04987	4.6
72.04495	0.4
72.08127	0.3
73.02895	1.0
75.04481	0.4
81.03410	16.9
84.08132	0.7
85.02883	1.0
86.09667	0.5
87.04453	0.4
91.05479	1.8
97.02886	0.6
99.04446	7.0
107.04964	0.5
115.05355	0.3
116.04959	0.5
117.05457	1.9
117.06973	0.3
118.06530	5.0
120.08105	0.6
121.02840	0.3
123.08054	0.4
127.03936	0.4
129.10217	0.4
132.06610	0.6
132.65120	0.3
134.06052	0.3
135.04349	0.6
137.05948	0.6
145.02782	0.5
145.06488	1.1
145.07582	7.1
147.04372	0.5
147.09155	8.9
159.09196	0.5
161.07074	0.4
162.07846	1.1
163.03880	3.0
163.08682	1.4
163.11197	0.3
173.07097	11.6
175.08667	6.1
177.05496	0.4
180.66234	0.3
185.07251	0.3
190.07286	0.5
190.67398	0.3
191.08134	100.0
192.08475	1.7
193.12109	0.5
203.08176	0.7
205.09669	0.8
213.10278	0.5
215.11855	0.4
231.11177	0.4
233.09167	1.6
243.11285	0.4
271.10770	0.4
289.11850	2.0
307.12857	31.1
308.13116	0.5
325.13889	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	325.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	2.2
55.05495	0.5
56.74708	0.4
57.03434	2.7
59.04952	0.4
61.02922	1.1
69.03423	15.6
69.82716	2.3
70.06574	1.1
71.01332	1.1
71.04983	5.1
73.02912	0.7
75.04443	0.5
79.05493	0.8
81.03407	18.6
81.07032	0.8
84.08123	0.8
85.02869	1.9
86.09682	1.2
91.05477	1.7
92.32761	0.4
93.07041	0.4
97.02837	1.0
99.04439	6.5
103.35310	0.4
105.06999	0.8
107.04923	0.6
107.08548	0.5
108.08034	0.5
109.02865	0.6
109.10134	0.5
116.04992	0.5
117.03355	0.6
117.05488	2.2
118.06523	5.1
119.04940	0.5
119.08556	0.9
120.08099	0.7
125.05991	0.4
129.10231	0.5
130.95468	0.5
132.06718	0.4
132.45378	0.4
133.02875	0.6
135.04369	1.4
135.09077	0.5
137.05934	0.5
145.02803	1.3
145.06444	0.6
145.07584	7.8
147.04390	0.6
147.08005	0.5
147.09155	7.9
151.03894	0.7
159.09238	0.6
161.07123	0.8
162.07861	1.2
163.03896	6.0
163.08655	1.2
173.07097	12.4
175.08646	6.0
175.11057	0.4
177.05389	0.8
181.04956	0.5
191.08130	100.0
192.08466	1.8
193.12193	0.4
199.08699	0.4
205.09746	0.8
213.10225	0.6
215.11685	0.5
231.11136	0.4
233.09113	1.1
243.11372	0.4
249.07477	0.8
289.11633	1.9
307.12830	31.7
308.13104	0.6
325.13876	22.4
325.17117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01868	2.2
55.05505	0.4
56.05055	0.3
56.41929	0.3
57.03437	2.8
59.04983	0.8
60.05621	0.3
60.41317	0.4
61.02919	1.1
67.05505	0.4
69.03426	16.1
69.07072	0.4
69.79449	1.8
70.06595	1.3
71.01366	1.0
71.04986	5.3
72.08157	1.1
73.02924	1.3
79.05480	0.5
81.02930	0.8
81.03412	16.9
81.07043	0.9
82.06613	0.4
83.61151	0.4
84.08143	1.5
85.02908	1.5
86.09705	0.8
87.04430	0.5
91.05489	1.7
93.07043	0.9
95.04969	1.5
97.02912	0.7
99.04452	6.5
103.03930	0.5
104.47887	0.4
105.07019	0.9
107.04976	0.8
107.08558	0.5
109.06507	0.9
116.04984	0.8
117.03374	0.4
117.05511	1.5
117.06974	0.5
118.06535	5.1
119.08588	0.7
120.08105	0.9
121.08434	0.3
121.10165	0.4
123.04414	1.4
127.03887	0.7
129.10207	0.8
131.08525	0.5
133.02805	0.6
133.10106	0.5
135.04416	1.3
136.07666	0.3
137.05963	2.1
145.02818	0.6
145.06493	1.0
145.07581	7.5
145.10120	0.9
147.08089	0.4
147.09164	8.8
147.10291	0.7
159.09192	0.6
161.09534	0.6
162.07913	1.2
163.03889	5.9
163.07489	0.7
163.08682	1.2
163.11234	0.5
173.07097	12.2
175.08679	6.7
175.11044	1.9
187.07498	0.5
189.12680	0.7
191.08142	100.0
192.08507	1.0
193.12192	1.8
205.09779	1.0
215.11786	0.4
233.09203	1.0
251.06935	0.4
271.10730	0.6
281.14795	0.9
289.11731	2.2
297.07462	0.5
307.12811	29.6
308.13181	0.9
325.07141	1.1
325.13849	20.4
325.24945	0.4
326.14368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1955
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03942	0.5
56.96540	0.4
67.05481	0.4
69.07006	0.3
69.69688	2.2
78.47673	0.3
79.05487	18.3
91.05443	0.8
93.07034	1.6
94.70692	0.3
95.04959	1.3
98.21429	0.5
103.05457	37.1
104.05786	0.4
105.04492	0.6
105.07034	2.8
107.04945	20.2
108.06860	0.3
118.05829	0.4
118.06550	5.3
121.06533	1.6
131.04916	11.4
131.08513	0.4
132.08046	1.7
133.08833	0.9
134.09639	0.5
146.09639	1.9
147.10428	0.4
149.05969	1.1
156.15802	0.3
160.11186	0.9
163.03871	0.6
176.14330	48.8
177.14690	1.1
177.39049	0.4
227.10603	0.4
233.14319	0.5
250.14583	0.4
257.12253	0.3
264.07355	0.4
279.12338	1.0
280.13162	0.4
281.13846	0.4
293.11957	0.4
294.14810	0.6
324.19537	100.0
325.06979	0.6
325.10565	0.4
325.19870	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03925	1.4
55.01864	0.8
56.96555	0.7
57.03423	0.7
61.02917	0.6
63.02361	0.5
69.03418	4.6
69.28756	1.8
69.29183	1.2
70.06573	0.4
71.04973	0.6
72.08140	0.3
77.03925	0.5
79.05474	1.9
81.02927	0.5
81.03409	9.4
81.07035	0.7
84.08123	0.4
85.02895	5.3
89.03904	7.0
91.05486	2.1
93.05782	0.4
93.07029	0.5
93.34208	0.4
94.06557	0.5
95.04944	0.9
95.08586	0.5
97.02876	1.5
98.20802	0.5
99.04434	0.8
101.02340	0.5
107.04934	2.7
107.08567	0.3
109.02879	3.0
109.10119	0.5
110.09640	0.7
117.03371	9.1
119.08582	0.4
120.08055	0.5
121.02853	0.3
122.09593	1.7
123.04439	0.4
127.03924	1.5
133.10097	0.3
135.04404	19.9
136.04764	0.4
136.07582	0.3
136.11194	1.3
137.05928	1.6
137.10715	0.4
138.09177	0.3
145.02832	13.5
151.03876	0.3
151.07503	0.4
162.09137	0.4
163.03883	100.0
164.04242	2.6
166.04936	0.4
166.08607	1.8
171.17709	0.3
179.11787	0.6
179.70731	0.3
181.04930	2.5
186.05464	0.6
201.05522	0.4
205.06535	0.4
208.09650	2.1
222.06902	0.4
225.12334	4.3
234.98943	0.7
237.09041	0.4
248.08960	0.3
250.06390	0.4
265.08597	0.4
279.06577	0.4
282.16867	0.5
292.07019	0.3
295.12946	0.3
303.05093	0.8
307.08017	6.7
325.03528	0.8
325.09586	1.5
325.16922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
53.21045	2.8
54.98566	2.8
55.01863	17.8
55.05505	41.2
57.03423	8.5
57.07046	6.9
58.70085	3.2
67.05498	63.1
69.03410	10.4
69.07069	25.1
69.82560	14.9
71.04977	4.0
73.06533	2.9
79.05481	51.3
81.03393	7.2
81.07046	75.3
83.01324	4.2
83.04967	43.5
83.08618	12.5
85.06511	6.1
91.05473	58.2
93.07038	65.2
95.04956	18.0
95.08593	43.5
97.02851	3.8
97.06513	11.2
97.10155	6.8
100.37110	2.8
103.05370	3.1
105.07024	52.8
107.04935	14.6
107.08575	41.2
109.06500	14.1
109.10146	42.0
111.04427	6.5
111.08049	19.3
113.35797	3.3
116.46756	3.2
117.07022	10.9
119.08567	26.8
119.12736	2.9
121.06496	18.5
121.10105	16.2
123.04413	6.7
123.08054	8.6
123.11705	11.3
123.69272	3.2
125.05981	3.7
128.06236	3.8
129.06975	8.6
131.08577	15.6
133.05556	3.7
133.06491	13.2
133.09126	4.8
133.10114	80.1
135.08028	10.5
135.11682	14.5
135.13994	3.1
137.05971	7.3
137.09578	11.6
139.07530	16.1
143.08556	11.7
143.31877	3.3
145.10110	20.1
147.08003	15.0
147.11649	9.5
149.05972	3.0
149.09589	8.5
149.13248	5.1
151.07507	5.5
151.11183	50.4
153.09245	5.0
157.10123	5.1
159.07974	3.3
159.11674	6.0
161.09639	25.2
161.13232	7.9
163.11174	5.0
169.12216	3.3
171.11716	8.9
173.13248	4.1
175.11191	10.3
175.69200	2.9
177.12816	4.7
179.10677	33.6
181.08543	3.8
183.13754	19.9
185.13167	4.5
189.12691	9.9
195.11711	3.9
203.14362	3.8
207.13763	3.7
213.16412	3.3
217.12175	4.1
223.13225	5.4
227.17786	3.8
229.14211	4.2
245.16667	3.1
245.18953	17.4
255.17424	3.8
263.20026	20.0
273.18481	44.8
277.21323	3.2
291.16168	5.1
291.19482	100.0
292.20026	5.0
305.20883	8.6
323.22183	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	323.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92656	1.3
55.05493	2.7
55.65408	1.4
65.03912	1.6
67.05476	6.0
69.07054	2.9
69.20406	17.8
79.05480	6.1
81.07052	22.4
83.08601	2.0
91.05465	6.1
91.41039	1.7
93.07041	9.7
95.08597	16.4
97.10146	1.7
98.21464	3.4
105.07017	17.9
107.08582	20.2
109.06551	2.9
109.10138	19.0
117.06943	3.9
119.08540	8.5
121.06505	1.8
121.10133	5.1
123.11692	2.9
131.08530	3.4
133.06474	14.1
133.10086	5.4
135.08038	100.0
135.11623	1.8
140.35698	1.5
145.10089	5.7
147.08041	4.4
147.11685	5.0
149.09616	2.8
149.13193	2.1
151.07527	1.7
157.10147	2.2
159.08025	11.3
159.11705	4.3
161.09598	2.6
161.13239	2.8
163.11162	5.1
173.09590	4.8
173.13383	1.9
175.11188	2.3
175.14871	2.4
179.10680	2.0
185.09488	1.8
187.11185	1.5
187.14857	2.3
189.16365	27.4
199.11267	1.7
201.12663	4.3
201.16382	4.1
213.12709	1.9
215.14301	4.3
227.14345	3.5
229.15982	2.5
241.15892	2.1
243.17328	2.8
305.21585	1.7
323.23679	62.6
324.23947	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	323.2577
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03940	5.8
55.01860	5.6
55.05502	24.8
57.03430	5.7
57.07059	7.6
59.04979	4.4
66.72600	2.5
67.05502	40.1
69.03427	14.9
69.07063	68.9
69.98041	11.9
70.06593	3.4
71.04984	8.8
71.08606	4.0
79.05483	35.0
79.14008	2.6
81.03420	6.3
81.07045	100.0
83.04987	5.4
83.08599	13.0
85.06528	7.9
91.05464	24.6
93.07034	63.3
93.07633	3.5
95.04958	31.7
95.08597	84.0
97.02873	5.7
97.06528	10.8
97.10162	7.3
98.20818	2.9
99.08105	5.7
105.07027	34.3
107.04947	4.4
107.08568	41.0
109.06489	15.1
109.10146	36.8
111.08063	24.8
111.11702	6.2
117.07002	3.3
119.08572	19.1
121.06529	4.3
121.10137	55.8
123.08054	12.9
123.11691	36.2
125.09618	10.2
127.07559	5.4
129.06966	4.0
131.08551	10.3
133.10132	17.0
135.04433	4.9
135.08058	4.4
135.11671	9.8
137.05928	3.3
137.09607	10.7
137.13239	9.2
139.07564	3.7
139.11162	18.3
145.10062	6.0
147.11618	15.0
149.09605	8.7
149.13269	7.8
151.03897	8.8
151.11148	5.6
155.10634	4.0
157.10100	4.1
157.12146	2.4
159.11691	5.8
161.09616	4.8
161.13185	7.1
163.03905	10.2
163.14755	2.7
165.12724	3.9
167.10664	15.9
171.11676	3.9
173.13138	3.8
175.14952	3.8
177.05414	2.8
189.16316	2.6
193.12292	4.0
213.85110	2.8
219.08162	5.6
219.10138	22.8
220.05173	3.0
235.07608	4.0
245.12067	2.7
248.08194	3.0
263.06940	5.8
263.12756	3.9
269.22495	3.6
277.08279	2.5
277.25388	3.0
287.23666	6.2
291.10129	4.7
305.24704	17.0
323.05627	5.9
323.09052	14.1
323.12622	6.9
323.25848	25.0
324.10165	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.7
55.05510	38.2
57.03416	17.8
61.29035	4.1
63.52851	5.2
67.05497	43.5
69.03406	8.8
69.07050	32.2
71.52671	7.7
78.90475	4.2
79.05486	30.6
81.07052	41.2
83.04959	5.9
83.08604	25.5
86.16275	4.5
91.05492	22.3
91.43919	4.3
93.07034	32.3
95.04961	11.8
95.08585	28.8
97.06509	10.8
97.10149	21.5
105.07001	16.8
107.04969	7.5
107.08575	20.5
109.06525	5.0
109.10124	17.6
111.08105	7.0
117.07035	6.3
119.08546	18.6
121.06458	5.2
121.10155	14.3
123.08077	14.9
125.09612	27.4
127.07471	5.6
129.06967	4.9
131.08569	10.1
133.10130	10.1
135.08069	6.9
135.11688	6.6
137.05898	5.9
145.10103	7.4
147.08002	7.8
147.11725	6.8
154.93333	4.5
183.58746	4.5
201.12935	4.4
203.12691	12.2
223.13222	13.5
273.18402	19.4
290.77917	5.6
291.19479	100.0
305.21060	26.8
323.22119	17.1
323.25928	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.0
55.01864	20.0
55.05506	38.8
57.03424	6.1
62.06079	3.5
67.05139	4.7
67.05497	78.2
69.03418	9.1
69.07065	33.1
71.04996	6.1
79.05072	4.9
79.05486	56.1
81.03407	9.7
81.07047	100.0
83.01338	4.8
83.04970	72.8
83.08614	15.0
85.06535	5.3
86.76416	4.2
91.05463	66.2
93.07034	65.8
93.07626	3.6
95.04956	21.1
95.08605	35.3
97.02840	4.5
97.06530	10.4
97.10161	9.1
99.08111	5.6
105.07023	62.4
107.04952	12.8
107.08583	47.3
109.02863	4.4
109.06487	18.5
109.10139	54.8
110.58147	4.1
111.04425	7.2
111.08075	14.0
117.07003	13.8
119.04959	3.1
119.08561	23.8
121.06496	19.5
121.10119	20.9
123.08054	10.2
123.11691	13.8
125.06023	4.4
128.06198	5.2
129.06995	8.2
131.08559	20.7
133.06477	13.2
133.10114	87.5
135.08057	11.8
135.11697	14.9
137.05956	6.5
137.09634	8.0
139.07515	12.9
143.08499	6.5
145.10103	13.6
147.08051	12.4
147.11679	12.0
149.09608	14.9
149.13286	4.3
151.11160	73.9
157.10132	9.9
159.08072	6.7
159.11728	8.0
161.09639	14.7
161.13264	5.7
163.11237	7.8
165.09128	5.9
171.11690	6.3
173.13251	3.8
175.11211	7.7
177.09126	12.5
179.10675	10.5
181.08572	5.1
183.13777	26.0
185.13171	4.1
189.12772	8.2
217.12245	4.3
227.17892	5.8
229.14325	8.0
245.18990	23.9
255.17499	7.0
263.20016	9.6
273.18500	50.3
274.18866	3.8
291.19519	81.1
295.73175	3.2
305.21036	17.3
313.31387	3.1
323.22244	41.8
323.25656	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13728	1.5
53.70768	1.7
54.71368	1.6
55.01867	11.5
55.05496	10.0
56.21780	1.7
57.03159	2.0
57.03430	29.6
65.03925	3.0
67.05499	30.4
69.03414	2.5
69.07056	7.3
69.25347	7.5
69.25771	10.3
71.04971	4.8
75.54160	1.5
79.05486	24.0
81.03436	2.0
81.07047	34.1
83.04976	11.7
83.08596	5.9
85.02888	3.0
85.06538	32.1
91.05459	14.3
93.07022	18.4
95.04959	35.8
95.08581	11.0
97.06530	4.5
97.10160	1.7
99.04423	3.0
105.07010	10.7
107.04926	5.2
107.08602	15.5
109.06515	30.2
109.10128	7.2
111.04433	15.2
111.08054	6.8
113.05994	100.0
115.05430	2.0
117.07013	7.5
119.08591	13.2
121.06456	5.2
121.10115	7.0
123.08078	3.4
125.09624	4.1
129.06976	5.8
131.08534	10.6
133.06502	1.7
133.10097	5.5
135.08034	27.9
135.11659	6.1
137.09619	2.3
143.08562	4.1
145.10100	13.6
147.08049	5.6
147.11687	4.0
148.76619	2.1
149.09587	3.3
153.12737	8.3
157.10132	3.9
159.11684	3.8
161.09619	5.4
163.11147	9.2
165.09116	2.1
169.10127	2.0
171.11658	2.4
173.09691	1.9
173.13290	1.8
177.12813	2.6
181.12270	8.7
183.11635	1.6
191.10632	6.5
195.01833	1.6
199.14828	2.2
208.76530	1.7
209.11749	2.0
210.79688	1.8
214.84723	1.6
217.15842	8.3
223.13139	2.5
227.12793	11.0
227.17917	2.2
255.17409	2.4
273.18430	22.3
291.19510	72.2
305.21072	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	323.091
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
50.08615	0.9
55.01863	1.8
55.05495	1.4
57.03430	4.4
66.03989	0.9
67.05487	1.6
68.97480	0.8
69.07041	1.5
69.43422	5.8
69.43831	1.8
79.05479	1.6
81.07038	2.4
90.89475	0.9
91.05466	1.7
95.08655	1.8
97.06515	3.3
105.07027	1.6
105.98505	0.9
107.04947	1.1
108.62176	1.0
109.06497	3.7
113.05985	1.0
119.08539	1.4
121.10166	1.0
133.10080	1.0
137.05986	7.2
147.04359	1.0
161.05956	1.5
165.06981	2.9
168.05640	1.1
178.07703	4.9
179.08524	7.9
181.06462	4.1
189.06920	6.6
190.07761	5.4
191.08519	8.6
193.06412	1.5
193.12254	6.4
194.07256	1.4
195.08049	3.2
201.07018	1.4
202.07710	2.6
203.08527	1.3
205.06506	8.9
205.12187	1.5
206.07283	6.4
207.08035	31.6
208.08809	10.5
212.04692	1.6
217.06517	2.0
218.07205	10.7
219.08026	27.3
220.08607	2.1
221.05942	10.0
221.09538	2.0
222.06644	3.5
223.07527	1.1
223.11073	2.1
229.06265	1.2
231.08052	3.2
232.05066	1.2
232.08943	0.9
233.05885	7.3
233.09549	1.8
233.11737	1.2
234.06744	19.3
235.07504	40.7
236.08244	9.8
237.05464	2.0
240.07799	2.8
245.05939	1.3
246.06763	3.1
247.07510	40.3
248.08247	3.6
249.05420	6.9
249.09146	2.4
249.14796	1.6
250.06223	5.6
251.06989	2.9
251.10764	1.3
252.07872	2.1
253.08554	2.5
261.09149	4.9
262.06219	23.4
263.07010	24.7
263.09674	1.9
264.07764	21.0
265.05475	1.7
265.08524	12.3
267.10135	5.8
273.05377	1.7
277.08578	56.2
278.09210	4.0
279.10120	13.3
280.07379	2.4
280.10229	0.9
290.05896	1.5
291.06491	13.0
291.09872	2.1
295.09610	8.3
305.08029	4.3
308.06668	1.7
322.31247	1.1
323.09100	100.0
323.27481	1.5
324.09445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03922	1.2
55.01855	2.8
58.37101	0.7
65.03940	2.9
66.89224	0.8
67.01855	3.0
67.05492	3.0
67.09962	0.7
68.99780	4.2
69.03418	2.4
70.06601	1.0
71.48322	1.4
79.05495	5.0
81.03413	2.2
82.17205	0.8
83.04978	1.8
85.02917	1.0
89.03976	0.9
91.05459	2.0
93.03392	1.5
95.04946	4.4
97.02894	6.4
99.04449	3.4
103.05470	1.0
107.04934	7.0
109.02881	3.6
111.00781	1.2
111.04411	5.7
117.03387	1.7
119.04903	1.1
120.08112	0.9
121.02879	2.3
123.04423	8.6
127.03910	4.5
131.04883	2.1
133.02834	1.6
135.04413	9.5
137.02328	2.5
139.03886	100.0
140.04291	2.6
141.06932	1.2
145.02811	2.8
147.04369	4.0
149.02374	1.1
149.05936	2.0
151.03879	8.8
153.01830	1.3
153.05481	2.0
155.03375	40.4
156.03751	3.2
157.06488	1.0
159.04474	1.5
163.03880	30.2
165.05537	2.0
167.03391	2.4
169.04930	1.4
169.06403	1.2
170.79573	1.0
171.04372	1.0
172.08557	0.9
173.05956	1.2
175.03879	3.7
177.05482	5.5
179.03410	6.1
181.04938	18.0
181.06519	1.0
183.04472	1.0
185.05943	2.1
187.03928	1.2
189.05458	2.7
191.03415	1.5
193.04930	6.7
197.05975	1.1
199.03862	2.1
201.05432	3.5
203.03409	2.0
203.06972	0.9
205.04974	7.2
206.05673	1.0
207.02835	1.2
212.04668	2.4
213.05464	3.1
215.07100	1.5
217.04958	4.6
229.04906	1.5
231.06464	3.2
240.04173	2.6
241.04964	1.9
243.06534	4.3
245.04433	4.8
259.06015	5.1
261.07452	5.5
269.04425	11.0
277.07059	2.6
287.05457	10.6
305.06555	7.4
323.07684	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44105	7.2
56.42980	7.5
66.01626	6.9
69.25465	54.8
69.25888	24.4
74.45956	6.7
81.13227	6.3
94.93000	53.4
98.20731	12.8
110.53311	8.1
112.89625	36.6
161.02969	11.0
173.02930	8.6
206.88640	17.5
248.89635	78.0
296.43311	7.5
323.07401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.03932	3.1
54.29853	1.1
55.01857	3.3
56.96562	1.6
61.65380	1.2
64.39520	1.3
65.03931	5.4
67.01855	1.5
67.05498	7.0
68.99794	6.3
69.03416	7.6
69.54478	8.2
71.04990	1.5
79.05482	10.4
79.90865	1.1
81.03403	5.9
83.01350	1.5
83.04964	4.7
84.08112	1.9
85.02900	2.0
86.09682	2.2
88.03941	1.3
90.44501	1.3
91.05482	3.1
93.03395	4.5
93.06961	1.2
95.04465	1.1
95.04971	8.5
96.53981	1.2
97.02882	18.9
98.21490	2.7
98.97581	2.1
99.04435	6.3
102.03723	1.9
103.05451	2.7
103.92159	1.4
107.04945	10.8
109.02849	2.7
111.00795	2.5
111.04436	11.8
121.02845	3.2
121.06506	5.0
123.04407	15.5
127.03881	8.0
129.07014	1.4
131.04872	3.3
133.02890	2.0
135.04428	13.8
137.02359	1.5
139.03886	100.0
140.04189	3.8
141.06937	1.3
145.06503	2.0
147.04398	4.3
149.02368	2.6
149.05966	4.8
149.07408	12.9
150.03108	1.3
151.03885	21.9
155.03384	17.3
157.06439	2.3
159.04369	3.0
161.02223	1.5
163.03886	30.2
165.05476	3.5
167.03362	3.0
169.04929	1.8
169.06342	1.5
173.05991	2.9
175.03905	4.5
177.05475	7.7
179.03395	10.2
181.04941	27.9
181.06537	1.8
185.04317	2.0
185.05939	2.8
187.03868	1.8
189.05469	4.7
191.07013	1.8
193.04945	2.9
197.05893	1.6
201.05434	6.7
203.03423	2.8
205.03293	1.6
205.04919	8.8
206.05949	1.4
212.04684	8.7
213.05435	4.9
215.06990	5.7
216.04182	1.8
217.04897	6.1
219.06523	1.5
221.04498	1.4
225.05363	1.3
229.04945	2.0
231.06506	2.9
240.04132	12.2
241.04907	4.3
243.06514	8.6
245.04434	3.3
259.05966	8.1
261.07541	11.8
269.04462	31.1
277.06985	6.3
287.05450	26.4
305.06543	11.1
323.07501	7.6
323.11032	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	323.0544
Annotation	Pongamone D
Peak:m/z	Relative Intensity
53.54635	0.2
55.05488	0.7
67.05482	0.8
67.42557	0.2
68.99782	0.8
69.03410	0.4
69.07051	0.9
70.28152	0.2
71.06761	0.3
71.21658	0.2
71.52545	0.4
73.55221	0.3
78.38755	0.2
79.01846	0.4
79.05469	0.5
81.07053	1.6
83.08617	0.5
91.05436	0.7
93.07028	1.1
95.08585	0.9
97.10132	0.5
105.06998	0.6
107.04955	0.4
107.08606	0.6
109.06524	0.3
109.10136	0.7
119.08571	0.6
121.10116	0.5
123.11674	0.8
127.07542	0.3
131.04901	0.2
131.08553	0.2
133.10086	0.6
135.11670	0.4
137.09583	0.4
144.41698	0.3
147.11595	0.4
149.13182	0.2
152.47723	0.2
153.06914	0.4
159.04416	0.5
165.06982	1.5
171.04439	0.6
178.07748	0.3
187.03809	1.2
193.06516	0.9
197.05962	1.1
205.06561	0.4
207.04478	0.3
207.08098	0.6
208.08794	0.3
211.03821	0.3
211.07541	0.7
215.03462	0.6
218.07332	0.4
219.07928	0.4
221.05937	2.9
225.03479	0.3
225.05418	1.3
231.17712	0.2
233.04408	2.6
234.06808	0.7
235.03905	0.3
235.07452	0.8
237.05428	0.3
239.06995	1.0
247.07527	1.1
249.05458	0.8
250.06140	0.3
253.04965	1.9
262.06287	0.6
263.06992	0.6
264.07843	0.6
265.08499	0.4
266.05722	0.4
267.06491	3.7
277.04938	1.7
277.08630	1.1
278.05649	0.6
281.04483	1.6
294.05133	1.1
295.02872	0.5
295.06027	5.2
295.09448	0.5
297.03937	2.0
305.04343	0.5
305.24719	0.3
309.03836	0.7
322.04822	0.3
323.05484	100.0
324.05786	3.7
326.04196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
53.19704	2.6
55.01859	7.9
55.05501	9.2
57.03437	11.2
65.03934	4.0
67.05498	14.8
68.99790	3.0
69.03429	19.0
69.07045	11.3
70.06568	8.5
70.19682	5.9
70.20078	4.9
79.05487	35.8
81.03413	6.7
81.07044	56.1
82.14230	2.2
83.04964	7.3
85.02905	13.0
86.09686	6.8
91.05472	24.0
93.07034	15.7
95.01326	24.1
95.04952	16.4
95.08560	3.0
97.02901	4.5
97.06511	27.0
105.07018	7.8
107.04929	8.7
107.08572	10.4
108.08950	4.8
109.02853	3.5
109.06518	33.7
109.10186	2.8
111.04453	5.2
111.08070	6.1
113.02350	5.9
117.07022	7.2
119.04955	6.9
119.08556	13.8
120.08065	4.7
121.06487	5.0
123.04426	5.2
123.08061	4.8
125.05981	4.5
129.06990	2.5
131.08545	8.9
133.06467	2.4
135.08052	9.6
136.11964	3.5
137.05971	9.0
137.09525	2.6
139.03874	12.1
139.07530	5.6
141.01796	6.8
141.05458	2.9
145.06477	3.6
147.08005	14.3
149.05917	3.4
153.01837	6.5
155.07030	6.3
163.07515	15.7
165.09113	28.4
167.06996	5.6
170.02165	2.6
175.07495	5.0
177.05458	5.5
181.08614	9.6
183.10152	6.5
185.22624	2.4
191.07033	4.1
193.08572	39.8
197.04449	7.4
199.09634	19.3
209.08028	13.7
211.09631	20.4
221.06429	2.8
221.08430	3.1
225.07335	3.5
227.09099	10.3
230.05219	7.5
232.06616	2.9
237.07605	6.6
240.88092	2.5
255.08595	100.0
258.04813	5.2
262.15134	4.5
269.10110	2.9
273.09692	5.4
276.05875	5.3
322.06470	18.1
323.09381	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	322.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01873	0.7
55.05503	6.3
57.03434	0.6
57.07084	0.7
60.04524	0.9
62.06084	100.0
65.03942	0.6
67.05497	15.9
67.05839	1.0
69.07065	3.8
70.74710	1.3
79.05485	10.3
81.03452	0.6
81.07047	16.1
83.08632	2.6
91.05475	4.6
93.07039	12.4
95.04997	1.1
95.08598	13.4
95.09170	0.9
97.10159	1.4
98.06062	0.9
105.07007	3.0
107.08599	7.3
109.10135	5.5
117.07015	1.4
119.08601	2.5
121.10119	5.2
121.14552	0.7
123.11733	2.1
125.09653	1.9
131.08597	2.5
133.10168	1.3
134.42075	0.6
135.11682	3.6
137.13287	1.4
144.10239	0.6
145.10168	2.0
147.11691	0.7
149.13293	2.1
158.11774	0.9
159.11703	1.6
161.13380	0.8
163.14891	1.8
172.13377	1.0
173.13257	1.4
175.14813	0.6
177.16313	1.4
191.17943	0.7
200.16527	1.9
203.12701	0.5
214.17993	0.7
240.19565	1.1
243.21178	2.4
261.19824	0.6
261.22119	3.5
266.21152	0.7
273.18481	0.7
291.19577	6.3
304.26443	2.4
305.21185	1.4
305.24792	2.0
322.27432	13.3
322.30811	0.5
323.27847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79700	2.1
55.01853	8.0
55.05506	4.2
57.03421	8.3
59.00661	2.1
65.76172	2.9
66.12572	2.1
67.05492	9.0
69.03430	16.9
69.07061	9.5
69.36522	18.5
69.36933	3.4
70.03741	2.3
70.06577	6.7
70.80474	2.3
71.01347	2.3
71.04975	2.3
73.16801	2.0
79.05486	28.8
81.03385	6.3
81.07047	42.5
83.04955	4.1
85.02909	11.3
86.09708	4.3
90.94849	2.1
91.05475	15.9
93.07040	17.0
94.07373	4.3
95.01321	12.3
95.04944	9.8
95.08559	3.4
97.02891	3.1
97.06522	20.2
99.04459	2.8
100.11240	2.1
103.05459	2.6
105.07041	11.3
107.04924	4.4
107.08587	13.1
108.08908	5.0
109.06493	23.6
109.10127	3.3
111.08051	5.4
113.02379	4.3
116.98534	2.1
117.07002	8.2
119.04912	7.0
119.08611	11.8
119.36203	2.4
120.08085	4.2
121.02862	2.6
121.06488	7.1
123.04420	3.2
123.08042	4.0
125.05988	4.5
127.03911	2.5
129.06972	2.4
131.08539	6.9
133.06480	2.2
133.10123	2.3
135.08044	6.0
135.11690	3.0
136.12007	4.2
137.05937	7.6
139.03891	10.9
139.07503	2.9
141.01805	3.3
145.06419	3.4
145.10060	3.2
147.08043	11.1
149.05959	2.8
151.03905	3.3
151.07629	2.9
153.01775	6.5
155.07036	5.6
159.02859	2.5
161.05948	2.4
163.07533	11.4
163.11040	3.4
164.11473	4.0
165.09097	24.7
167.07010	5.4
173.05789	2.8
175.07561	6.3
175.11960	2.5
177.05406	2.8
181.08588	7.8
183.10173	4.2
191.07005	4.7
193.08589	26.2
194.12608	2.9
197.04520	4.6
199.09692	16.8
201.03912	4.2
209.08041	10.7
211.09677	12.4
219.06430	2.9
227.09132	14.3
230.05261	6.3
237.07559	6.4
255.08612	100.0
258.04672	4.8
262.15152	11.1
273.09689	5.3
287.11206	2.9
322.06223	15.3
322.20038	3.0
323.09201	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	321.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
58.22196	0.5
67.01868	1.1
67.05499	1.8
68.66553	0.6
69.03416	1.6
69.07050	2.4
69.69416	1.9
70.06575	0.6
74.41628	0.5
79.05485	1.4
81.03410	3.5
81.07047	3.5
83.04975	0.8
84.08057	0.5
85.06528	0.8
91.05458	3.9
93.07041	2.7
95.04964	1.2
95.08609	2.9
95.09136	0.6
97.02864	0.9
97.10124	0.7
98.21573	0.6
99.04478	0.6
105.07009	1.8
107.08566	2.6
109.02854	1.2
109.06519	0.9
109.10136	2.7
115.05463	2.8
117.03377	0.9
117.05766	1.3
117.07001	3.4
118.06522	52.6
119.07345	2.9
119.08572	1.3
119.41155	0.5
121.06499	0.6
121.10126	2.2
123.11684	2.0
130.06503	1.1
131.08543	1.2
132.08089	0.8
133.10078	0.8
134.09634	91.3
135.08038	0.9
135.10001	1.5
135.11678	0.9
137.09610	1.1
137.13303	0.6
142.06505	3.7
143.07300	4.9
144.04405	1.0
144.08064	23.4
145.02808	2.0
146.05988	100.0
147.06281	1.8
147.11661	0.7
149.06068	0.6
149.09546	0.6
155.06029	0.8
159.11670	0.7
160.07532	1.2
161.05960	0.6
161.13289	0.6
165.09077	1.7
170.06009	7.9
174.09088	0.9
177.05479	4.9
188.07045	94.0
189.07330	1.7
192.10155	2.4
242.03049	0.6
257.49582	0.7
275.09015	1.3
303.23163	1.0
309.44800	0.5
321.06073	1.1
321.09723	4.4
321.15845	9.5
321.24161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	5.2
70.56342	0.5
70.56684	1.2
71.10385	0.4
71.95255	0.6
83.88232	0.4
88.77637	0.4
97.29900	0.4
97.36363	0.4
98.20447	0.4
98.97576	14.0
116.98609	14.3
119.01876	2.2
134.99644	8.2
137.03029	0.4
142.03470	0.6
153.00679	1.5
158.01271	0.7
174.97638	0.4
176.97508	0.6
177.00937	13.2
178.01132	0.7
182.99937	1.8
192.98651	0.6
194.98418	0.6
195.17789	0.5
201.00920	4.0
212.92175	0.5
214.91965	1.9
216.43309	0.4
216.98724	1.3
218.03465	0.9
218.98470	3.1
219.01985	100.0
220.02116	6.8
221.01979	0.6
230.93227	0.5
232.93030	1.4
232.96704	0.4
234.99776	2.0
236.99474	6.8
237.03073	0.5
238.95528	0.8
242.03583	4.0
250.94086	0.6
253.43973	0.5
255.00465	0.4
256.93036	1.0
256.96603	7.7
257.96594	0.8
258.97208	0.5
258.99686	2.2
260.00092	0.6
261.03052	1.6
262.95697	0.6
272.94330	2.4
274.94131	6.5
274.97662	3.6
276.04425	0.5
277.00705	3.3
278.00864	0.5
279.00632	0.6
279.98254	1.7
280.96646	1.0
283.00085	0.4
288.92261	0.6
290.95551	0.7
292.95163	4.2
298.97659	30.9
299.97818	1.8
303.24075	0.5
309.90747	0.4
316.38705	0.4
316.95193	2.1
316.98785	1.3
317.95132	1.0
321.99243	3.5
325.92126	0.9
328.44009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0603
Annotation	Amaronol A
Peak:m/z	Relative Intensity
51.24853	1.3
53.03933	3.5
55.01851	4.1
55.05495	1.7
56.96547	6.6
65.03926	3.6
67.01853	3.7
67.05505	2.1
68.99777	3.9
69.03420	4.1
69.72496	8.0
70.06582	11.0
71.06930	1.7
72.08131	1.9
79.05478	1.6
81.03413	10.6
83.04968	2.8
84.04473	1.4
84.08120	3.3
85.02887	3.5
86.09668	2.6
88.07639	1.9
93.03398	2.4
95.01323	2.3
95.04944	3.1
97.02882	4.1
98.01447	1.4
98.21430	1.5
98.97565	3.9
107.04939	2.7
108.02074	3.6
109.02876	6.2
110.07221	1.5
111.00804	2.1
111.04433	6.6
112.07590	4.5
113.07930	3.9
114.05489	1.5
116.07103	2.2
120.08118	1.7
121.02877	5.1
123.04369	10.7
125.02340	30.1
127.03923	3.3
135.04398	2.1
137.02321	25.0
139.03888	100.0
140.07059	1.5
141.01805	3.5
145.06410	2.4
149.02303	9.9
150.03102	6.0
151.03899	14.8
153.01877	2.3
154.02580	9.5
155.03401	5.8
157.06546	1.6
163.03873	9.0
165.01753	2.4
167.03377	4.5
169.05034	2.1
173.05980	3.1
177.05518	3.2
179.03444	3.0
183.02870	24.4
183.04335	2.3
184.71036	1.5
187.03905	2.6
191.03355	4.5
191.07039	1.9
192.01884	1.7
201.05443	8.1
205.05014	2.7
213.05544	2.4
215.03320	1.9
217.04926	1.9
219.06566	3.0
229.04945	8.8
231.02946	1.6
231.06589	2.5
233.04559	5.2
237.02777	2.0
239.03371	1.4
247.05991	5.0
257.04419	7.2
261.03864	2.5
275.05521	15.4
276.05899	1.6
303.04932	14.4
321.06046	53.5
321.09573	7.3
322.06509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09732	3.5
61.01114	3.8
67.01866	8.6
67.05487	6.0
69.03410	9.9
70.06573	16.0
72.04506	17.3
72.08141	12.0
78.03776	10.9
81.03389	8.9
81.07043	7.9
84.08128	4.4
86.06011	5.7
86.09710	12.1
91.05477	7.8
93.07037	6.0
94.06564	5.3
95.04960	4.1
97.06457	3.9
99.05574	5.4
102.00625	3.7
102.03755	6.3
103.02151	28.1
107.04951	20.5
107.08559	5.4
109.02841	5.0
110.07166	7.2
114.03720	9.1
114.05517	47.0
120.04765	28.0
120.08074	13.3
123.04360	6.8
127.03925	7.2
127.70422	3.7
129.10219	9.7
130.06506	13.8
132.04729	8.6
138.05511	3.7
139.03867	9.1
142.08633	5.7
147.04349	5.7
149.07410	18.2
152.07129	4.0
157.07570	9.7
158.05968	12.1
162.05539	4.6
174.08815	5.5
177.05370	13.1
191.06743	4.8
191.08453	100.0
195.06418	4.5
202.08563	5.4
216.10071	8.8
217.10960	8.8
232.06953	6.0
239.11667	5.1
260.12714	16.1
267.11252	9.6
275.09305	6.5
285.12341	19.4
303.04910	6.6
303.13654	35.5
321.09821	32.9
321.14294	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	319.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65118	2.3
62.45657	2.5
62.99936	2.5
69.07059	11.2
69.23009	5.6
69.23415	20.3
74.48219	2.5
75.66686	2.2
83.04985	3.0
91.05502	4.2
93.07006	3.3
95.08632	2.7
105.07023	10.3
107.08595	5.1
109.10152	5.0
116.47639	2.5
119.08572	15.0
121.10127	11.6
123.08108	2.5
129.06982	12.5
131.08557	3.7
133.10123	11.9
138.99359	2.4
141.06955	2.6
142.07767	8.3
143.08528	13.4
144.09328	3.0
145.10115	12.0
147.08075	5.4
147.11647	9.9
156.09314	3.5
157.10130	17.9
158.10910	3.4
159.11655	8.2
161.09598	30.2
171.11690	7.2
173.13211	13.9
175.11182	10.0
175.14828	8.8
184.12444	3.3
189.12683	12.6
189.16399	9.1
199.14793	21.5
217.15846	100.0
281.74585	2.5
319.19086	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	319.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05001	1.1
55.05496	3.3
57.03425	3.7
61.78192	1.2
66.13906	1.0
67.05495	2.9
69.07064	11.8
70.95701	1.2
71.52367	1.6
79.05494	3.8
81.07034	4.3
82.92229	1.1
83.04977	1.8
91.05476	7.8
93.07028	10.5
93.72867	1.4
95.04989	1.8
95.08589	3.4
97.06525	1.3
105.07021	17.1
107.08577	13.3
109.06546	1.3
109.10135	3.2
119.08565	14.2
121.06522	1.7
121.10110	1.7
123.08098	2.2
128.06200	5.8
129.06970	6.5
131.08524	4.1
133.10104	4.3
134.86307	1.2
141.06987	1.6
142.07773	15.3
143.08548	30.1
145.10117	6.1
155.08583	2.1
156.09297	6.7
157.10114	54.8
158.10791	1.5
159.11717	5.9
161.09622	4.5
161.13260	4.8
163.11166	2.0
166.99924	1.3
167.01338	1.3
169.10152	2.7
170.10905	2.6
171.11646	13.4
184.12460	4.6
189.12729	8.2
192.83620	1.4
199.14798	100.0
200.15210	2.5
217.15889	12.5
259.16895	5.2
277.43668	1.2
292.60538	1.3
301.55560	1.2
319.04343	1.3
319.19318	3.2
319.22607	2.6
319.30402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05190	0.8
55.05492	3.9
57.03415	3.8
57.07074	6.0
58.07389	1.4
65.92689	1.0
66.83988	1.1
67.05488	2.3
69.07061	11.0
70.06590	11.6
70.50855	2.7
70.51192	0.8
71.06902	2.9
71.08612	1.3
76.02145	0.8
79.05482	2.4
81.07036	3.1
84.08116	1.4
88.07623	10.4
89.07970	2.6
91.05487	5.2
93.07029	8.4
95.08575	2.3
105.07026	17.4
106.08629	1.1
107.08570	12.6
109.06484	1.6
109.10119	1.0
111.08051	0.9
114.09174	2.5
115.05459	1.0
118.08627	1.0
119.08558	13.7
120.34376	0.9
121.10112	2.3
128.06210	7.7
129.06984	4.3
131.08572	4.4
132.10190	10.6
133.10411	4.8
141.06978	2.2
142.07768	17.8
143.08549	29.3
144.09294	2.0
145.10101	6.4
147.07990	1.1
147.11588	1.4
150.11246	9.5
151.11575	4.0
155.08557	1.9
156.09332	6.7
157.10120	51.4
158.10768	1.8
159.11699	4.9
160.08788	1.9
161.09619	6.1
161.13240	5.1
169.10130	2.5
170.10883	3.0
171.11693	13.7
173.13174	1.7
175.11194	1.2
184.12483	4.2
189.12743	7.4
199.14809	100.0
200.15128	2.4
213.29471	1.0
217.15849	16.1
257.26636	1.4
259.16931	5.6
275.27820	4.5
319.09775	1.1
319.18961	3.3
319.30344	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	319.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
53.96699	0.5
55.05512	3.1
56.05032	1.0
57.03424	2.7
57.07059	1.7
60.04523	12.2
61.04866	1.0
69.07064	10.5
69.40466	0.7
71.52572	0.6
78.29890	0.5
79.05465	2.8
81.07050	3.3
88.07608	1.4
90.97556	0.5
91.05493	4.0
93.07037	10.0
95.04943	1.5
95.08578	2.4
105.03370	3.4
105.07019	16.4
106.03705	1.9
107.08582	11.6
109.06516	0.7
109.10137	1.4
111.08125	0.7
115.05441	1.3
117.06960	1.2
119.08568	11.4
121.10130	1.7
123.11667	0.7
128.06215	6.7
129.07021	4.8
131.08559	3.7
133.10141	2.7
137.09634	0.8
141.06984	1.3
142.07776	16.6
143.08551	25.1
144.09325	0.9
145.10115	6.3
147.08038	0.9
147.11624	1.0
155.06075	0.7
155.08566	1.6
156.09312	4.6
157.10121	48.9
158.10742	0.7
159.11665	5.3
161.09608	4.9
161.13239	4.1
169.10130	3.7
170.10901	2.2
171.11678	11.7
173.13292	1.6
175.11145	1.0
184.12474	3.6
189.12753	8.1
190.12265	0.8
191.12540	1.0
197.13202	1.0
199.14807	100.0
200.15189	1.0
207.31982	0.6
217.15857	15.7
219.11937	1.2
257.26666	1.8
259.16953	4.7
271.28156	1.0
277.17868	0.9
283.28238	1.7
301.29254	2.2
306.09735	0.8
319.18878	3.2
319.22464	1.4
319.30298	12.3
319.33612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05493	0.6
57.03413	0.6
60.04526	0.6
65.03946	0.5
67.05478	0.5
68.99762	0.5
69.03417	1.2
69.07038	0.7
70.06570	2.0
71.52498	0.5
72.08127	1.5
75.70065	0.5
80.89719	0.4
81.03412	1.0
81.07040	0.5
83.04958	1.5
84.04491	0.6
84.08109	1.5
85.02906	0.7
86.09708	3.1
87.05594	0.5
91.05431	0.7
93.07017	0.8
94.06519	0.5
95.04958	0.7
97.02886	0.5
99.04448	0.5
106.92091	0.4
107.04957	0.5
108.42009	0.4
109.02840	0.8
111.04443	0.8
119.04902	0.5
119.08549	0.8
120.05721	0.5
120.08117	0.8
123.04421	0.8
127.03929	0.5
135.04404	0.9
136.07562	0.7
136.80200	0.5
139.03918	3.6
143.08504	0.6
146.06021	0.9
149.05991	0.5
151.03882	3.6
153.01732	0.6
157.08667	0.7
158.08369	0.5
159.11317	1.0
160.11623	0.8
163.03894	1.2
169.07613	0.6
171.09128	1.2
172.60464	0.4
174.09129	0.7
174.13011	0.4
177.05438	1.1
182.09689	0.6
183.09117	1.0
184.09917	2.7
193.05093	0.6
194.08353	1.1
198.07802	0.9
199.08649	2.3
199.12279	1.5
200.10689	1.3
205.04939	1.1
205.11766	0.6
209.10649	0.7
210.09306	0.5
211.08644	2.4
212.09393	3.9
213.10207	3.4
217.15877	1.7
225.10213	3.1
226.10995	10.8
227.11763	12.9
228.10173	5.2
229.04845	0.5
229.10028	0.5
241.09761	0.5
245.12822	0.7
255.11224	7.0
257.09192	0.7
265.09476	0.5
270.09973	16.7
271.10748	3.2
272.11517	16.4
273.04056	0.6
273.07678	1.1
273.12280	10.0
283.10742	7.0
301.11798	100.0
302.12122	5.6
319.04599	1.3
319.08331	2.4
319.12845	28.9
320.13223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0811
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
53.03932	2.0
55.01857	2.1
55.05510	2.9
57.07051	0.9
65.03924	1.2
67.05491	4.5
68.99781	1.4
69.03415	1.3
69.07079	3.0
69.31519	5.0
71.04964	0.7
72.08114	0.6
77.03913	0.8
79.05488	5.7
79.99871	0.5
81.03404	1.3
81.07034	4.3
83.01343	4.1
83.04977	2.2
83.08610	1.0
85.06520	0.6
85.88123	0.5
91.05466	2.5
93.03373	0.7
93.07045	3.8
94.43246	0.5
95.04966	5.1
95.08585	2.3
97.02879	1.0
97.06499	0.7
101.87628	0.6
102.42763	0.5
105.03365	1.8
105.07033	2.7
107.04937	5.1
107.08569	4.6
109.02854	0.8
109.06492	1.6
109.10150	3.3
109.50283	0.5
111.04417	2.2
111.08088	0.7
115.05468	0.9
117.03362	0.8
117.06958	0.7
117.40263	0.6
119.08571	1.8
121.06451	0.7
121.10131	2.0
123.04416	45.9
123.11667	0.9
124.04758	0.8
125.06004	3.9
128.06206	1.2
131.08562	1.4
132.01176	0.6
133.02855	2.7
133.10078	1.4
135.04398	13.0
135.08040	2.0
135.11702	0.9
137.02316	1.4
137.05930	0.8
139.03943	0.8
141.05440	0.8
143.08543	1.6
145.10164	1.7
147.04355	1.2
147.08009	0.9
147.11664	1.1
149.09537	0.6
149.13222	1.3
150.64423	0.5
151.03874	3.0
152.27370	0.5
153.05453	4.1
153.06909	1.4
153.09079	0.8
157.10098	0.9
159.03003	0.5
159.04532	0.6
159.11656	1.1
160.05223	0.6
161.02347	5.3
161.05998	0.8
161.09550	1.0
161.13260	0.6
163.03891	57.9
163.14870	0.6
164.04462	2.4
165.01837	0.9
165.12717	0.6
167.03387	100.0
168.03749	2.5
170.69377	0.5
171.08058	1.9
173.09663	0.7
173.13220	0.6
175.07504	1.0
175.14828	0.7
177.05525	0.7
179.03383	3.1
181.04968	10.3
181.06520	1.6
181.80577	0.6
184.05156	2.2
185.04396	1.2
189.05450	0.7
189.09042	1.3
198.06726	0.5
199.07529	6.9
202.08916	1.1
203.03395	1.3
203.07069	0.7
203.09183	1.3
209.04425	17.2
212.04695	0.9
217.08594	0.8
227.06990	9.4
245.08072	49.2
246.08435	2.0
255.06485	3.5
258.00055	0.6
272.06763	2.0
273.07550	37.8
273.22046	0.6
274.07919	1.6
283.05978	0.8
301.07056	11.4
301.21521	1.5
319.08038	8.8
319.22662	5.4
320.08292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05499	5.0
55.24639	0.8
56.05032	13.4
57.03440	0.9
57.07072	5.3
58.06593	3.4
60.04520	100.0
64.99725	0.7
65.10139	0.7
67.05503	3.8
69.07067	3.8
70.06598	1.0
70.13750	2.5
71.08631	4.0
74.06071	8.8
79.05505	1.5
81.07058	3.9
83.08616	3.0
85.10169	1.7
86.06062	1.7
88.07619	19.7
90.05562	1.5
93.07037	1.6
95.08604	3.7
96.44148	0.8
97.06544	0.7
97.10173	2.3
100.07624	0.9
107.08622	1.0
109.10136	1.3
118.08642	2.6
122.08118	3.6
147.94035	0.8
147.98799	0.8
169.07068	0.7
170.43793	0.8
173.37398	0.9
185.38031	1.1
195.02936	0.7
222.18840	0.7
226.98215	0.8
252.26866	2.0
256.26324	2.1
264.26904	1.8
270.27905	21.2
282.27896	16.3
300.28946	18.7
318.29996	89.5
319.30334	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
65.03919	0.4
67.01862	0.5
67.05489	0.5
68.99780	3.7
69.03411	0.5
69.07047	1.3
69.10644	0.3
70.06569	0.7
70.77039	0.6
70.77382	0.3
74.06148	0.4
79.05475	0.5
81.03400	0.5
81.07009	0.5
83.01379	0.4
83.04961	0.3
83.80193	0.3
84.04493	0.5
84.08156	0.3
86.09697	4.2
87.10031	1.4
93.03375	0.5
96.08111	0.4
97.02867	0.6
105.07037	0.5
107.51052	0.3
109.02863	2.6
109.47147	0.3
111.00784	4.3
111.04427	1.1
121.02846	0.5
121.06508	0.4
123.04437	0.4
123.08101	0.3
124.07584	1.8
125.02346	0.4
126.03123	0.3
127.03912	0.9
130.92543	0.3
135.04411	0.4
137.02330	4.3
138.62000	0.3
139.03870	1.4
146.05989	0.8
147.04382	0.7
147.06339	0.3
149.02240	0.5
149.05965	0.8
151.03865	1.2
153.01811	20.6
153.05344	0.6
161.05962	0.6
161.53551	0.2
163.03918	0.3
164.07230	0.3
165.01820	6.4
165.59448	0.3
166.02515	1.1
168.66074	0.3
171.04373	0.8
173.06137	0.3
175.03905	0.4
177.05472	1.9
179.03375	3.5
183.02855	2.6
185.00798	0.4
188.07033	1.1
189.05447	2.1
189.07368	1.1
193.01326	0.8
195.02873	1.6
198.17085	0.3
199.03900	1.1
203.03395	1.5
205.04903	0.5
206.09967	1.1
207.02885	1.2
217.04933	7.8
217.15865	0.8
219.02936	0.4
221.04469	0.7
227.03419	0.6
231.02873	0.6
235.02394	0.7
235.06000	0.8
244.03694	0.8
245.04439	9.0
246.07799	0.3
255.02948	1.4
263.05472	1.1
273.03903	8.4
273.12311	0.4
283.10739	0.7
290.04242	2.1
291.04858	0.4
301.03424	2.3
301.11664	1.5
319.04446	100.0
320.04773	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	318.1655
Annotation	Leu-Ala-Asp
Peak:m/z	Relative Intensity
53.16397	0.8
55.01863	1.0
55.05487	1.0
56.05005	1.3
56.96560	5.7
67.05485	1.0
69.03414	2.0
69.07043	2.3
70.06583	6.5
70.55211	1.5
70.55603	2.2
72.08144	16.7
75.05589	0.9
81.03407	0.9
83.06074	1.5
84.04488	6.1
84.08119	2.6
85.02879	2.8
86.09696	100.0
87.10022	2.1
88.03972	1.1
91.05450	1.4
95.06085	0.9
96.04426	1.2
98.97569	4.3
102.05486	4.3
104.17982	0.8
107.04939	1.0
109.02831	1.2
109.70903	0.9
110.07153	11.4
110.48192	0.7
111.04385	1.0
112.07591	2.3
116.98602	3.3
117.03339	1.7
120.08090	1.6
127.03922	1.3
128.98616	1.0
129.06544	1.3
129.10193	0.8
130.05066	1.0
134.99634	2.1
135.04376	3.1
138.05463	1.1
139.03874	3.0
140.07072	1.1
143.11787	5.7
143.78087	0.9
145.02841	2.5
146.99506	1.0
148.06013	5.1
151.03938	2.0
155.99622	1.5
156.06500	1.2
156.07652	13.6
157.13344	40.3
158.08154	1.0
158.71907	0.8
161.01266	1.1
163.03885	13.7
171.11336	2.4
174.00751	3.0
175.02724	2.9
185.12854	13.9
185.16476	11.0
193.03828	1.4
194.53062	0.9
197.01143	0.9
197.12900	4.1
197.14554	1.1
201.32767	0.8
205.08180	0.8
205.11684	1.2
213.15985	4.1
215.13869	1.7
216.01903	1.6
217.03827	2.9
220.15401	0.9
222.32036	0.8
225.12224	1.6
236.57336	0.9
237.02762	1.0
240.05232	1.1
247.12900	2.7
318.11172	2.0
319.07083	5.0
337.07959	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	318.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.9
56.05028	1.7
60.04229	1.5
60.04518	29.3
60.15247	1.0
64.62770	0.8
66.81169	0.8
68.71373	0.7
69.03413	1.4
69.65543	0.8
70.02937	2.1
70.06570	3.3
72.08148	72.2
74.06085	2.2
78.41674	0.8
81.07080	1.0
82.06564	0.9
84.08124	1.6
85.02846	1.0
86.09697	61.3
87.05077	1.6
87.05580	19.0
91.43478	0.8
94.06532	0.9
96.08121	1.6
97.02855	1.1
98.21541	2.0
107.04919	0.9
114.08411	1.5
114.09155	18.0
118.08652	4.6
123.04424	1.0
128.10712	4.9
130.06564	1.0
132.10193	6.7
139.03873	1.6
159.11273	100.0
163.03798	1.2
165.05467	1.4
173.12842	50.3
187.09055	1.5
187.10760	30.1
187.14290	4.2
195.12970	0.8
200.78117	0.9
201.12320	15.9
203.08177	1.2
205.11905	4.1
215.13857	1.6
226.10960	1.3
227.11774	2.6
231.16968	3.5
270.09995	2.9
272.11539	3.3
273.12320	1.4
283.10947	1.2
300.10413	1.0
301.11865	19.7
301.15421	2.3
318.06870	1.9
318.10602	1.6
319.04398	2.3
319.07864	1.5
319.12744	5.5
319.16150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.2
57.03419	5.9
61.02910	9.4
69.03432	19.2
70.06594	13.4
71.04974	5.0
71.14990	5.1
71.15330	2.9
72.08119	2.5
73.02883	5.7
77.39385	2.4
81.03406	8.4
84.08154	3.2
85.02898	100.0
86.09692	9.2
87.04443	2.6
88.03970	3.4
91.03936	7.1
91.05472	2.0
93.07020	5.6
96.51465	2.2
97.02879	22.8
99.04437	4.4
109.02854	8.3
121.06496	89.1
123.04405	4.1
127.03878	23.8
130.06490	3.8
131.08545	2.5
139.03934	16.4
143.11732	2.8
145.04950	41.5
145.06248	3.3
151.03891	14.6
151.07530	2.7
153.01956	1.9
159.08113	2.4
163.03886	3.5
163.06024	7.9
169.05002	2.1
169.06372	2.5
175.07391	3.5
180.08681	3.2
187.07497	21.4
188.07013	2.8
205.08549	13.0
221.09224	2.9
229.08456	3.7
247.09645	4.9
265.10526	3.7
309.66861	2.2
319.04550	3.4
319.08154	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01867	5.5
56.96541	2.2
57.03420	4.6
60.04509	2.8
61.02925	10.8
67.05490	2.4
67.22375	2.1
69.03420	18.8
69.07056	3.3
70.06585	37.9
70.19921	8.9
72.08147	8.6
72.99173	2.8
73.02916	4.3
74.06077	3.3
76.04706	2.4
79.05471	4.3
81.03406	9.3
83.04968	2.8
84.04482	2.4
84.08131	5.4
85.02895	100.0
86.09698	8.0
87.04429	4.1
88.03969	2.8
91.03957	4.9
91.05471	6.1
92.04606	2.3
93.07048	4.8
95.04946	2.8
97.02892	18.5
99.04469	4.7
101.15581	2.3
103.03910	2.7
103.05424	2.9
107.04971	3.2
109.02872	10.8
109.50631	2.3
110.07153	2.0
117.37952	2.4
119.04961	2.4
121.02879	2.1
121.06490	69.5
122.06815	2.9
127.03902	21.3
128.10794	2.0
130.06517	7.9
135.08122	2.2
139.03864	13.8
141.06966	2.6
145.04939	32.0
145.06448	4.5
151.03891	9.8
156.10194	3.0
157.07593	4.7
159.08040	4.9
163.03940	5.0
163.06027	5.9
173.12947	2.8
175.08707	5.0
178.04979	4.3
187.07533	14.5
188.07030	2.7
201.09138	2.2
205.08551	8.1
217.04947	2.5
217.15926	2.3
221.09187	7.2
229.08589	4.6
247.09697	4.2
261.03787	2.6
275.01889	2.9
300.13321	5.3
318.06482	3.8
318.14520	3.6
318.29843	3.1
319.04401	4.7
319.08044	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
55.05492	2.9
56.96555	10.1
57.03417	3.6
60.04499	1.8
69.03413	4.0
69.07043	4.7
69.96999	1.9
69.97415	4.8
70.04071	3.0
70.06572	5.9
71.01334	1.4
71.02457	2.5
71.57994	1.3
71.86642	1.5
72.07758	2.2
72.08146	35.1
84.04506	6.8
84.08117	4.5
85.02898	6.3
86.09696	100.0
88.05105	1.5
89.03466	1.7
95.06080	1.7
97.02873	4.6
97.05137	2.9
98.03527	7.9
98.05992	1.8
98.97548	8.6
101.11430	1.4
102.05522	5.3
107.04911	1.3
109.04996	1.7
110.07170	8.6
111.04414	1.7
112.07576	2.3
115.03884	1.4
115.06152	5.6
116.98630	6.5
118.08577	3.0
122.25259	1.5
124.03864	2.0
125.04559	2.6
125.06985	16.1
126.05346	4.0
126.07732	4.5
127.03856	1.5
128.98604	2.8
129.10213	1.7
130.05000	2.8
133.04955	2.5
133.10097	1.6
134.99644	3.7
135.04347	2.0
136.06134	7.5
137.04654	1.4
141.06468	4.1
143.05630	9.8
143.11768	3.2
145.02811	1.7
146.99629	2.5
148.06006	5.6
151.03918	1.4
152.05560	1.5
153.06438	12.3
154.07193	5.9
155.08162	2.4
155.99683	3.1
156.07643	9.7
157.13348	25.1
158.06622	1.7
158.99677	2.0
161.01219	1.7
163.03851	5.2
170.06674	1.6
170.99658	1.8
173.09161	4.8
174.00685	5.8
175.02747	3.1
177.00693	3.7
177.08713	2.5
185.12863	7.7
185.16472	17.7
186.04439	1.6
186.06218	7.8
187.18556	1.5
198.00699	2.3
204.05447	1.8
205.08235	3.3
213.15970	7.2
216.01807	3.6
217.03844	3.6
223.05391	1.6
237.02864	2.4
247.12820	2.3
257.11188	2.9
285.10629	4.0
319.07291	2.9
337.08127	3.0
343.20593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.85784	2.1
53.03928	2.1
55.01849	1.8
55.05502	15.7
57.03412	3.3
57.07053	8.6
59.70623	1.9
65.03909	3.7
65.37459	1.9
67.05502	39.1
69.03416	3.1
69.07058	18.5
70.06588	2.0
70.42779	2.6
70.43102	4.9
71.04984	4.4
71.08617	2.7
73.06566	2.0
79.05492	22.5
81.03391	2.6
81.07052	44.4
83.04966	7.4
83.08620	9.9
85.06539	11.5
85.37778	1.8
91.05468	30.3
93.06477	3.7
93.07032	38.3
95.04953	8.2
95.08601	59.8
96.08885	2.6
97.02872	4.6
97.06531	13.9
97.10143	6.0
98.21553	2.4
105.07014	51.2
107.04945	4.3
107.08582	62.6
109.06519	7.8
109.10139	55.1
111.04431	29.8
111.08107	10.6
112.04835	2.1
114.75020	1.8
115.05439	2.8
117.07014	11.5
119.08569	62.4
121.06477	5.5
121.10128	34.8
123.08040	11.4
123.11697	14.4
125.05984	5.1
125.09618	4.3
127.07567	2.1
128.06200	4.0
129.06970	3.9
131.08549	20.1
133.06502	5.5
133.10118	47.1
135.08026	13.2
135.11670	12.7
137.09612	28.7
137.13203	4.2
143.08553	13.5
145.06458	3.3
145.10114	21.3
147.08032	6.6
147.11673	29.6
149.05960	3.2
149.09605	4.8
149.13261	5.8
151.11174	24.2
153.09079	2.8
155.08519	4.8
157.10094	15.8
158.10898	3.0
159.08052	4.6
159.11688	27.0
161.05908	3.5
161.09592	16.1
161.13237	13.7
163.11153	5.3
163.14809	29.2
165.12749	3.7
167.10638	3.5
168.09393	2.3
169.10107	6.7
171.08072	2.5
171.11630	13.7
173.09639	6.3
173.13249	12.6
175.07538	2.2
175.11166	6.7
175.14816	5.8
177.09068	3.0
177.12717	2.4
177.16319	2.1
179.10664	6.8
182.11079	2.3
183.11690	8.8
185.09581	5.2
185.13274	8.6
187.11176	11.3
187.14853	6.5
189.09019	2.2
189.12718	3.8
189.16342	6.9
191.10680	4.5
193.12244	4.7
195.11792	3.7
197.13232	9.2
199.11069	3.5
199.14850	11.0
201.12744	6.1
201.16386	5.8
203.10623	4.7
205.12207	8.1
205.15898	7.6
211.11232	3.9
211.14822	6.8
213.16339	6.5
215.10701	5.7
215.14291	4.6
215.17938	6.4
217.12292	4.8
225.12683	4.6
229.12245	9.4
229.15860	3.1
229.19495	4.7
232.09534	2.2
237.16449	2.8
239.14316	2.5
239.17923	6.1
241.15938	2.8
243.13780	5.7
245.15274	2.5
246.11293	6.4
247.12056	8.6
253.19524	7.6
255.17409	2.8
257.15344	2.0
257.19006	12.9
262.14349	94.6
263.17877	2.6
271.20560	8.3
273.18533	3.2
275.20074	18.0
281.19086	9.4
289.21561	3.4
299.20029	48.4
300.20413	4.0
302.04144	3.3
317.06580	13.0
317.21097	100.0
317.24457	4.8
318.20993	4.9
318.24347	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2108
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03942	4.0
55.01864	2.5
55.05502	15.7
56.13783	2.1
57.03419	3.3
60.04529	3.9
64.78400	2.3
65.03912	2.9
66.78722	2.4
67.05502	40.1
69.03424	3.5
69.07064	20.9
69.76132	13.9
71.04984	6.3
75.90970	1.9
79.05500	26.6
81.03423	2.5
81.07052	42.1
83.04975	7.0
83.08613	10.0
85.06525	11.8
87.63848	2.2
91.05477	29.2
93.07040	43.4
94.07394	2.4
95.04955	9.1
95.08604	68.8
97.02882	6.7
97.06521	13.5
97.10172	6.8
105.07024	50.1
107.04934	3.2
107.08588	67.1
109.06532	11.4
109.10148	52.9
111.04443	28.0
111.08084	14.5
115.05416	2.7
117.07021	9.7
119.08579	73.9
121.06506	8.5
121.10130	36.1
122.10398	2.1
123.08071	8.4
123.11716	15.6
125.06088	2.8
129.06981	4.9
131.08562	23.2
133.06506	2.6
133.10121	55.0
135.08055	13.2
135.11694	16.5
137.05896	2.6
137.09598	34.8
139.07625	2.6
141.06975	2.8
142.07784	3.9
143.08578	12.4
145.06512	2.7
145.10135	22.6
147.08047	8.0
147.11687	29.3
149.09636	5.6
149.13257	7.3
151.07571	4.1
151.11169	23.1
154.79988	2.3
155.08580	4.6
156.09262	3.6
157.10089	16.0
159.08028	5.4
159.11682	28.6
161.09654	8.2
161.13220	18.6
162.13672	2.1
163.11177	8.3
163.14807	27.4
165.09068	4.2
165.12714	4.5
169.10132	8.5
170.10735	3.4
171.11641	12.7
173.09637	8.7
173.13286	19.9
175.11224	3.2
175.14871	11.4
177.12735	6.7
178.13527	3.6
179.10686	4.3
183.11691	9.5
184.12204	2.3
185.09718	3.4
185.13248	6.7
187.11188	14.8
187.14807	11.2
189.16399	7.5
191.10718	5.6
193.12277	3.5
195.11713	2.8
197.13246	10.2
199.11118	4.5
199.14790	9.0
201.12747	7.0
201.16353	7.5
205.12267	10.4
205.15746	4.8
211.14833	4.6
213.16447	5.5
215.14224	3.5
215.17973	6.2
219.13866	5.4
225.12717	4.6
227.17938	2.9
229.12270	6.8
231.13866	3.5
233.15358	3.2
239.18018	8.0
243.13918	5.5
245.15370	3.6
253.19511	6.6
257.15363	3.9
257.18976	13.4
271.20627	8.9
273.18433	4.6
275.20023	19.1
281.18970	6.9
299.20029	51.4
300.20532	3.8
317.06464	8.6
317.17334	5.3
317.21100	100.0
317.24792	36.4
317.32538	5.1
318.21558	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	317.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01376	1.6
53.48859	1.8
55.01854	2.6
55.05510	4.6
57.03437	13.5
63.02577	1.7
67.05495	35.5
69.07053	6.0
69.33008	6.0
69.33437	9.5
71.04993	3.7
79.05489	12.0
81.03449	2.1
81.07043	20.7
83.04958	5.5
83.08617	4.0
85.06525	3.5
91.05470	51.3
93.07037	14.6
95.04961	9.8
95.08596	7.6
99.04440	3.1
105.07023	38.2
107.04961	2.4
107.08582	22.5
109.06525	3.9
109.10146	35.7
113.05986	4.0
117.06982	5.3
119.08578	13.6
121.10121	2.9
123.11671	5.1
128.06204	4.6
131.08559	4.7
133.10112	100.0
135.07957	1.9
135.11708	2.0
137.09613	3.2
143.08604	9.5
151.11160	46.8
153.01869	2.6
161.05969	3.6
161.09619	26.3
169.12201	10.6
179.10640	29.6
197.11720	6.8
215.12762	29.0
302.04266	2.7
317.06586	13.6
317.16006	24.2
317.21130	4.0
317.24545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
53.03942	0.7
53.26752	0.4
65.03927	0.6
67.05480	1.7
69.03429	0.6
69.07070	0.6
69.51841	1.5
69.52279	1.7
71.95979	0.4
73.86954	0.4
79.05481	3.5
81.07045	0.5
83.01315	3.4
83.04986	0.9
89.03407	0.6
89.03895	6.1
91.05450	0.8
93.03426	0.7
93.07034	0.7
95.04957	1.4
95.08584	0.7
97.02894	2.1
97.06501	2.2
105.07011	0.7
106.11499	0.4
107.04943	4.8
107.08618	0.7
109.10178	0.5
111.04419	1.9
117.03362	9.6
119.08575	0.4
121.02895	0.4
121.10125	0.7
123.03596	0.5
123.04411	6.4
123.08017	0.7
125.05975	1.4
133.10139	0.5
135.04388	19.0
137.02303	0.7
137.06018	0.5
139.03854	1.7
145.02827	13.9
145.03812	0.5
146.03142	0.5
151.07515	1.4
153.05444	1.0
159.04396	0.9
161.05936	0.6
161.09631	0.5
163.03876	79.7
164.04184	1.5
167.03378	0.8
177.05418	0.5
179.03319	1.2
179.07045	1.4
181.04924	100.0
182.05275	1.6
186.05513	0.5
187.03799	1.1
199.05991	2.7
205.04976	0.9
207.06468	3.5
215.07036	0.6
222.43359	0.4
223.06155	0.6
243.06505	0.9
254.37489	0.4
275.09097	0.7
281.07898	0.4
293.41577	0.4
299.09164	2.2
312.86273	0.4
317.06601	6.6
317.10114	86.6
318.07056	0.9
318.10468	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05502	0.7
57.03435	7.9
57.07074	29.7
59.49397	0.6
60.04527	0.5
61.02908	0.9
65.03928	0.9
67.05476	0.7
68.26459	0.6
68.99774	1.0
69.03424	3.6
69.25089	2.4
69.25511	3.3
70.06586	0.8
71.01352	4.2
72.08150	0.6
73.02914	18.2
75.04472	1.3
79.05486	0.9
81.03394	0.9
81.07037	0.6
83.01328	0.6
84.08189	1.2
85.02902	27.6
85.06540	43.2
86.09695	1.9
89.02387	0.7
91.05460	0.7
92.02592	2.0
93.03397	1.8
95.01328	2.5
95.04941	1.1
95.08557	0.7
97.02907	1.3
99.00809	1.5
101.02391	6.3
103.03939	9.7
103.07578	10.7
105.07008	0.8
107.04935	0.9
107.08584	0.6
109.02847	1.1
109.10136	0.5
113.02355	2.4
115.05422	0.7
119.04916	1.2
119.08562	0.9
121.02871	2.4
121.06548	0.6
121.08572	0.6
123.04424	8.2
126.03151	1.1
129.10239	1.0
131.03404	4.8
131.04936	0.6
133.45067	0.6
135.04445	1.1
136.07565	0.8
137.02336	3.8
137.06071	0.7
139.03896	2.2
141.01820	2.1
141.05447	1.4
147.04424	3.9
149.06020	1.0
151.03903	3.9
153.01823	13.3
153.05484	1.0
159.02901	4.3
159.10176	7.4
159.11540	0.8
161.05983	1.5
161.09624	0.7
163.03888	1.5
165.01859	1.4
165.05470	15.9
165.81873	0.6
167.03407	3.4
171.02791	0.6
173.05942	0.7
177.03992	1.2
177.05440	0.9
179.03336	3.0
183.02892	0.9
187.03960	0.8
194.11732	0.6
197.05934	1.2
200.04596	0.8
201.05498	1.4
203.03365	1.1
207.06570	0.9
213.10181	0.6
217.04953	2.7
218.05791	0.9
222.19038	0.5
228.04143	2.6
229.04941	4.7
230.49161	0.5
231.02945	0.6
242.05678	0.7
243.06525	2.7
245.04433	2.9
246.05238	2.0
250.01654	0.6
254.13879	1.4
257.04410	4.2
261.07526	0.6
271.05923	1.5
271.10037	1.1
273.03857	2.4
274.04684	5.4
285.03900	5.8
287.10226	2.2
299.05527	0.7
299.09558	1.5
301.03406	0.6
302.04181	14.9
303.04480	1.0
317.06573	100.0
317.12378	17.7
318.06915	6.0
318.12570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
55.07542	0.2
56.08373	0.2
56.96552	0.4
58.51335	0.2
62.64224	0.2
65.03920	1.1
67.05476	0.4
68.99783	1.3
69.00093	0.2
69.03407	0.7
71.01342	0.6
71.52318	0.3
72.08142	0.3
79.05462	0.7
81.03410	0.7
81.07037	1.0
83.04993	0.3
84.08139	0.5
85.02888	0.6
86.09697	0.5
91.05452	0.6
92.02616	2.4
93.03393	2.6
93.07014	0.5
95.04950	0.6
95.08604	0.4
97.02888	0.4
97.34532	0.2
98.97561	0.5
99.08070	0.9
103.05428	0.3
105.03365	0.3
105.07030	0.6
107.04946	1.8
107.08533	0.4
109.02873	0.6
109.10123	0.3
111.00852	0.3
113.02303	0.3
115.05441	0.7
116.98650	0.2
117.06995	0.4
119.04944	0.4
119.08563	0.5
121.02850	2.2
121.06450	0.4
123.04440	1.1
123.60661	0.2
126.03126	0.9
129.07027	0.4
131.04918	0.5
132.08078	0.4
133.02803	0.3
133.10083	0.2
134.99602	0.3
135.04439	0.2
135.08008	0.2
137.02365	1.8
137.03238	0.3
137.06000	0.3
139.03880	1.6
145.06459	0.7
147.04416	1.1
147.08090	0.2
150.03104	0.3
151.03844	1.4
153.01813	14.4
154.02380	0.3
155.04871	0.3
157.06441	0.4
159.07965	0.4
160.05275	0.2
161.05920	0.6
163.03926	0.7
165.01889	1.5
165.05428	1.3
166.02568	0.4
167.03384	1.7
171.04382	0.8
173.05969	0.7
175.03894	0.3
177.05495	0.8
179.03358	0.8
183.02876	0.8
183.04367	0.4
185.05995	0.3
187.03882	1.1
187.07582	0.3
189.05432	0.7
191.03398	0.6
200.04663	1.0
201.05441	1.7
203.03378	1.4
205.04892	0.2
215.03365	0.4
215.06953	0.3
217.04974	3.0
218.05748	1.3
219.02928	0.4
228.04156	3.5
228.07764	0.6
229.04980	6.8
229.08504	3.8
230.05478	0.4
231.02844	0.8
232.03619	0.3
233.04369	0.3
243.02814	0.3
243.06473	1.3
245.04460	3.9
246.05194	2.3
253.53929	0.3
255.10300	0.5
256.03763	0.6
257.04477	3.7
257.08060	2.3
258.05157	0.3
260.03110	0.7
261.03934	0.8
261.07620	0.6
271.02911	0.2
271.06000	1.2
273.03906	3.4
274.04694	7.1
284.03156	0.8
285.03891	6.5
286.04422	0.4
287.01834	0.5
288.06314	0.6
289.03436	1.1
294.56024	0.5
299.05481	0.6
299.09155	1.7
299.12372	0.4
301.03409	0.5
302.04178	20.0
303.04596	0.9
317.06549	100.0
317.10077	8.8
318.03528	0.3
318.06860	2.7
329.06403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.03927	0.3
54.69500	0.2
55.01865	0.6
62.20819	0.2
65.03933	0.6
67.05476	0.3
68.99781	0.5
69.03399	0.7
70.05986	1.1
73.05980	0.2
79.05478	0.3
81.03382	0.6
83.01337	1.1
93.03388	0.7
93.07015	0.3
95.04943	1.0
107.04975	0.3
109.02868	0.4
111.04401	0.3
117.03359	0.5
119.08551	0.3
121.02852	2.0
123.04403	1.2
125.02328	0.7
131.08539	0.3
135.04378	0.4
137.02338	5.5
137.03372	0.3
139.03900	0.3
141.07036	0.5
145.02802	0.9
147.04419	0.3
149.02359	0.8
151.03903	1.1
159.08002	0.8
163.03938	1.3
165.01933	0.2
167.03384	10.3
169.06480	0.8
177.05469	1.5
179.03392	4.6
180.04120	0.6
183.32813	0.2
187.07523	0.7
191.03352	0.4
193.04997	0.4
197.04448	1.2
197.05981	1.3
200.04674	0.9
201.05386	0.5
205.04909	0.6
209.04402	0.3
215.03534	0.3
215.06995	2.6
219.02550	0.2
225.05428	0.5
233.08072	0.6
241.04936	0.6
242.05711	0.7
243.06512	6.8
253.05006	0.4
261.07544	1.1
271.06024	3.2
288.06284	1.6
289.06927	0.4
290.68854	0.3
299.05518	1.8
306.71567	0.3
317.06519	100.0
318.06885	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	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.00160	0.2
50.32291	0.1
50.49103	0.1
53.05351	0.2
55.01846	0.4
65.03918	0.7
67.01875	0.2
67.05476	0.4
67.37218	0.2
68.99777	0.5
69.03408	0.7
69.07035	0.2
69.88216	1.0
72.72385	0.2
75.57445	0.2
79.05479	0.2
81.03392	0.7
83.01337	1.2
83.04964	0.3
86.09670	0.2
86.94691	0.1
91.05449	0.3
92.02595	0.8
93.03390	1.2
93.07034	0.3
95.04955	0.9
97.02849	0.2
100.52872	0.1
105.03343	0.3
105.07017	0.4
107.04887	0.2
109.02847	0.4
109.10100	0.2
111.04422	0.3
115.05410	0.2
118.22072	0.2
121.02863	2.3
121.06506	0.3
123.04397	1.6
125.02329	0.7
126.03128	0.3
127.03936	0.2
131.08524	0.3
133.02831	0.4
135.04382	0.3
137.02330	5.3
137.03401	0.4
138.45573	0.2
139.03857	0.6
141.05449	0.2
141.06946	0.5
143.08531	0.2
144.05724	0.2
145.06464	0.4
149.02315	0.7
150.03081	0.2
151.03891	1.5
153.01797	3.9
159.08052	0.3
162.89737	0.2
163.03842	1.0
165.01778	0.7
167.03377	8.1
169.06450	0.8
171.07991	0.2
173.05954	0.4
177.05415	0.6
179.03368	3.5
180.04201	0.2
183.02850	0.4
187.03877	0.4
187.07538	0.7
193.04967	0.2
195.02899	0.2
195.08028	0.3
197.04401	0.8
197.05980	1.2
200.04704	1.2
201.05420	0.7
203.03360	0.5
205.04889	0.3
205.08664	0.2
209.04440	0.5
215.06993	2.6
217.04881	0.7
218.05739	0.3
219.02901	0.5
225.05385	0.5
228.04161	1.4
229.04927	1.7
231.02856	0.4
233.08104	0.4
241.04973	0.4
242.05701	0.5
243.06511	6.4
243.08995	0.4
245.04422	0.8
246.05170	0.8
253.05055	0.4
257.04437	1.1
259.06085	0.2
261.07452	1.0
271.05975	3.3
273.03888	0.7
274.04706	1.3
275.05539	0.2
284.03140	0.3
285.03979	1.6
288.06119	1.3
289.06885	0.2
299.05569	1.6
299.08792	0.3
301.03497	0.4
302.04175	5.7
311.54163	0.2
315.04898	0.3
317.06509	100.0
318.06912	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.21761	0.3
57.02089	0.2
67.01780	0.2
67.75159	0.2
69.07063	0.3
71.21680	0.6
81.07069	0.2
81.46928	0.2
91.05459	0.3
95.08606	0.3
108.18709	0.2
109.06513	0.4
109.10116	0.3
117.30275	0.2
122.03622	0.3
123.04470	0.2
124.01585	0.2
129.07039	0.3
133.02840	1.5
133.10121	0.2
135.04404	0.3
137.02307	0.5
137.05946	0.6
145.02831	0.3
150.03114	1.5
150.20964	0.2
151.31287	0.2
153.00560	0.5
153.01807	8.7
163.03909	0.4
165.05473	2.4
167.03354	0.6
179.03455	0.6
181.04939	0.3
192.03969	0.5
203.03403	0.8
204.04181	0.4
205.04962	0.7
217.04897	0.8
218.05756	0.5
227.75139	0.3
228.04126	1.5
229.05014	0.4
229.78729	0.3
232.03598	1.2
245.04436	0.3
256.03574	0.2
273.03906	1.7
274.04694	34.1
275.04971	0.8
285.04208	0.3
302.04184	48.3
303.04504	1.1
317.06522	100.0
318.06976	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01870	0.5
55.05499	0.2
57.03430	0.1
65.03938	0.5
67.01852	0.1
67.05498	0.5
68.99778	0.7
69.03421	0.5
69.30042	0.5
69.30470	0.4
71.54583	0.1
73.21390	0.1
79.05476	0.2
81.03397	0.6
81.07056	0.1
83.01328	1.6
83.04979	0.2
85.38205	0.1
86.09690	0.5
86.53301	0.1
91.05482	0.3
93.03391	0.7
95.04958	1.3
95.08571	0.1
97.02906	0.2
103.89439	0.1
105.03402	0.3
107.01302	0.1
107.04951	0.2
107.08575	0.1
109.02891	0.5
110.03716	0.1
111.04420	0.2
115.05450	0.2
121.02013	0.1
121.02852	2.0
121.06480	0.1
123.04403	1.5
123.05226	0.2
125.02341	1.1
125.05923	0.1
127.03918	0.2
129.07016	0.2
131.04906	0.1
131.08533	0.2
133.02850	0.3
135.04399	0.4
137.02327	6.9
137.03372	0.5
139.03874	0.2
140.04649	0.2
141.01788	0.1
141.05446	0.2
141.06984	0.7
143.11809	0.2
144.05693	0.2
145.02824	0.3
145.06445	0.2
146.11823	0.1
147.04387	0.2
149.02298	0.7
151.03889	1.5
153.01810	0.3
153.07101	0.1
159.04385	0.1
159.08025	0.4
163.03888	1.2
165.01836	0.2
167.03380	10.8
168.03694	0.1
169.06448	1.1
173.05942	0.3
175.07504	0.1
177.05467	0.5
179.03377	4.9
180.04144	0.5
181.06395	0.1
183.02899	0.1
184.05171	0.2
187.03900	0.4
187.07500	0.9
191.03442	0.2
193.04916	0.5
197.04396	0.9
197.05980	1.5
199.07442	0.1
200.04657	1.5
201.05399	0.3
205.04997	0.5
205.08614	0.3
207.02913	0.2
208.03661	0.2
209.04387	0.5
215.07005	3.7
217.04976	0.2
219.02869	0.3
219.06529	0.3
221.04387	0.1
225.05452	0.5
227.06960	0.2
228.04187	0.3
229.04999	0.3
233.08020	0.7
241.04892	0.5
242.05751	0.5
243.06497	8.2
244.06866	0.2
246.05278	0.2
253.05011	0.5
257.04404	0.2
259.06046	0.3
260.06641	0.2
261.07535	1.0
269.04288	0.1
270.05209	0.1
271.05994	4.0
272.06406	0.2
274.04675	0.3
281.04492	0.2
288.06238	1.5
289.06949	0.2
299.05466	1.9
300.06219	0.1
302.04254	0.4
315.04996	0.5
317.06509	100.0
318.06842	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	317.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
68.05510	0.2
68.99781	0.8
70.78963	0.7
81.03424	0.3
91.05473	0.4
92.02615	3.8
93.03411	3.2
94.04205	0.4
95.04942	0.4
101.43689	0.2
110.54599	0.2
111.00824	0.3
121.02862	2.4
122.03561	0.3
123.04458	0.3
126.03089	1.1
131.04877	0.3
133.02771	0.4
135.04445	0.2
137.02330	0.8
139.03882	1.6
145.06570	0.3
146.41730	0.3
149.02423	0.4
150.03134	0.5
151.03922	1.3
153.01817	19.5
155.25847	0.3
160.83047	0.3
163.03885	0.6
165.01808	1.1
166.02548	0.4
167.03336	0.4
173.05994	0.7
177.05489	0.4
179.03349	0.5
183.02893	0.4
187.03897	0.4
189.05513	0.4
200.04681	0.9
201.05492	1.8
203.03444	1.3
204.04185	0.4
211.03970	0.3
214.24889	0.3
217.04951	3.4
218.05725	1.6
219.02901	0.8
228.04166	4.4
229.04956	8.6
231.02884	1.5
233.04732	0.3
243.06564	0.5
245.04417	4.3
246.05185	3.8
256.03461	0.5
257.04434	4.9
258.05045	0.5
260.03064	0.7
261.07620	0.5
271.06122	0.5
273.03900	3.9
274.04718	7.0
284.03214	1.2
285.03934	8.6
286.04483	0.5
287.01807	0.4
288.05960	0.4
299.05499	0.4
301.03418	0.6
302.04190	21.7
302.59174	0.3
303.04468	0.9
317.06537	100.0
318.06885	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33180	0.3
53.03931	0.6
55.01852	0.4
55.05496	1.2
62.65357	0.4
65.03919	0.4
66.01060	0.5
67.05491	1.4
68.99778	0.5
69.03419	0.5
69.07045	1.3
70.25517	1.6
71.04957	0.4
78.01050	0.6
79.05473	1.3
81.03419	0.9
81.07051	1.9
83.04964	0.7
91.05468	1.1
92.02623	0.8
93.03357	0.5
93.07040	1.6
95.04954	1.2
95.08588	1.1
103.85825	0.3
105.03339	0.4
105.07042	2.0
105.53244	0.4
107.04970	0.6
107.08573	1.6
109.02864	0.6
109.06492	1.3
109.10134	1.5
110.03634	2.3
119.08580	1.3
121.02892	0.4
121.06509	0.6
121.10155	1.3
123.04429	3.5
123.08070	0.6
126.03165	0.4
131.04926	0.4
131.08542	0.7
133.10123	1.4
135.08051	0.7
137.02330	5.2
137.05942	0.3
137.09604	0.4
139.03888	0.7
141.05518	0.5
143.08528	0.5
145.10123	0.7
149.09550	0.7
151.03857	0.6
151.11169	2.4
153.01804	3.3
157.10086	0.5
159.11722	0.7
160.25259	0.3
161.05972	0.6
161.09598	1.2
161.13237	0.5
163.03853	0.6
163.11095	0.5
165.01823	1.1
165.09167	0.3
167.03392	2.1
171.11642	0.5
173.09535	0.4
175.07616	0.4
177.05589	0.4
179.10632	0.9
183.02831	0.5
189.05573	0.4
193.01205	0.9
195.06633	0.5
200.04666	2.5
203.03421	0.4
204.04123	1.0
217.05022	0.7
218.05757	0.4
228.04138	6.9
229.04900	3.1
231.13313	0.3
245.04393	4.1
246.05104	0.7
256.03641	1.4
257.04443	2.7
271.06122	0.7
273.03955	2.0
274.04691	9.0
285.03873	2.6
285.10159	0.5
299.20090	0.9
301.03409	26.1
302.04169	71.7
303.04523	1.6
317.06516	100.0
317.20758	2.3
318.06815	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03930	1.0
67.01865	0.2
68.99780	0.6
69.03440	0.2
69.40255	1.3
88.86583	0.2
92.02612	3.2
93.03397	3.8
94.04141	0.2
95.01334	0.2
95.04940	0.2
97.94006	0.1
105.03364	0.2
107.08632	0.1
109.02844	0.4
111.00791	0.3
115.05449	0.2
120.02009	0.2
121.02856	2.3
122.03642	0.3
123.04408	0.2
125.59927	0.1
126.03130	1.2
137.02287	0.8
137.05925	0.3
139.03886	1.9
145.06351	0.2
147.04434	0.1
149.02277	0.2
150.03191	0.2
151.03897	1.6
151.05017	0.3
152.01085	0.3
153.01813	19.6
154.02141	0.2
155.04919	0.4
161.05966	0.3
163.03902	0.3
165.01816	1.3
166.02644	0.5
167.03343	0.2
170.02122	0.2
173.05965	0.5
175.04033	0.2
176.04831	0.1
177.05438	0.5
179.03354	0.5
183.02892	0.4
183.04388	0.3
187.03908	0.3
189.05458	0.2
190.02586	0.2
190.06276	0.3
192.04083	0.2
200.04642	0.9
201.05437	1.9
203.03387	1.8
204.03951	0.2
205.04871	0.2
211.03920	0.2
217.04936	3.5
218.05688	1.5
219.02919	0.9
228.04149	4.3
228.06422	0.2
229.04933	7.5
230.05298	0.4
231.02887	1.3
232.03673	0.4
233.04393	0.2
239.03485	0.3
243.06537	0.4
245.04443	4.5
246.05217	3.9
247.02197	0.2
256.03586	0.9
257.04416	5.1
257.07095	0.3
258.04968	0.2
259.02374	0.2
260.03278	0.8
261.07562	0.4
271.05997	0.4
273.03912	3.8
274.04684	7.6
284.03198	1.0
285.03903	8.2
286.04312	0.3
287.02002	0.3
288.06174	0.5
301.03424	0.5
302.04178	23.3
303.04483	0.4
317.06519	100.0
318.06860	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	316.284
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01861	2.1
55.05500	4.2
56.05029	4.4
57.03426	1.2
57.07064	2.3
57.59393	0.4
60.04516	100.0
61.04845	0.8
62.73812	0.4
63.81717	0.5
65.03909	0.4
67.05492	9.2
68.05014	0.9
68.99780	0.5
69.07060	5.4
70.39721	1.2
71.08611	0.7
72.04507	1.9
74.06062	1.8
79.05489	3.9
80.05002	1.0
81.03400	0.7
81.07048	7.5
81.07517	0.4
82.06544	1.0
83.04956	0.9
83.08616	3.0
86.06042	0.8
87.04463	1.6
90.05556	1.8
91.05464	2.7
93.07030	3.8
94.06546	0.8
95.04935	0.9
95.08590	7.8
96.08111	0.5
97.06551	0.7
97.10165	2.1
105.07034	1.5
107.08583	1.7
109.10131	3.1
111.08092	0.6
119.08573	1.2
121.10123	1.6
123.11678	0.9
128.44408	0.5
133.10124	0.7
135.11681	1.0
137.02328	3.7
137.03352	0.9
138.02641	2.4
141.01820	1.9
142.02129	2.0
163.03893	0.7
164.04259	0.4
165.01849	0.9
166.02155	1.0
183.02882	0.7
184.03177	0.7
186.06244	0.5
188.04245	0.6
214.05780	0.6
219.21173	0.5
242.05476	1.0
245.22565	0.7
250.25331	1.4
262.25317	1.4
263.23694	0.8
268.26212	0.5
280.26309	13.4
281.26611	0.6
298.27347	12.7
299.27664	0.6
311.99771	0.5
316.05295	38.5
316.28415	35.2
317.05579	3.7
317.28717	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	317.0651
Annotation	Scandione
Peak:m/z	Relative Intensity
51.02372	0.7
53.03928	1.1
55.01595	0.6
55.01862	10.4
57.03418	0.5
59.04985	1.1
65.03930	1.9
67.05469	1.1
68.99770	8.0
69.03413	1.4
69.36902	0.5
79.01845	2.6
81.03406	6.1
83.01293	0.6
88.07629	0.8
92.99756	2.4
93.03381	1.8
93.78716	0.5
95.04972	1.1
97.02900	2.3
98.20761	0.8
99.00804	3.0
105.03365	1.0
107.04958	1.0
109.02859	1.8
111.04419	4.4
115.05404	0.9
121.02844	0.8
121.51240	0.4
123.00786	0.8
123.04408	21.1
129.06969	0.4
131.08473	0.6
133.02823	1.1
135.04390	1.5
137.02327	7.4
139.03879	51.8
141.01790	15.4
141.06906	0.6
143.04871	0.7
147.04413	0.8
149.02272	2.3
151.03853	4.1
153.05435	1.3
155.03392	1.4
155.04799	0.4
157.06522	0.5
161.05965	4.4
165.01808	100.0
166.02130	1.5
167.03398	0.9
169.06445	1.2
173.05931	0.8
175.03876	2.8
179.03354	12.5
183.02863	70.4
184.03165	1.0
189.05406	1.8
195.02852	9.8
197.05989	1.8
201.05379	0.8
203.03358	0.6
215.07016	1.4
225.05498	0.7
229.05029	3.6
239.03404	0.5
243.06490	4.0
245.04375	2.2
247.05992	2.0
256.26257	0.7
257.04361	1.3
271.02991	0.8
271.05939	9.2
281.04404	0.6
289.07040	1.6
299.05447	10.4
317.06491	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	316.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05502	5.1
56.05028	4.9
57.03423	0.8
57.07062	1.8
60.04520	100.0
61.04865	0.6
67.05495	10.5
68.05026	0.8
69.03421	0.9
69.07065	5.1
70.06585	1.2
71.04951	0.4
71.08635	0.9
71.14397	0.6
71.14738	0.6
72.04502	1.7
74.06078	2.4
76.00062	0.3
79.05495	4.5
80.04996	0.7
81.03385	0.5
81.07044	8.7
82.06586	1.6
83.04990	0.5
83.08610	3.8
84.08141	0.4
86.06053	1.0
87.04463	2.9
88.07619	0.5
90.05562	1.4
91.05466	3.6
93.07032	3.7
94.06570	0.7
95.04960	1.7
95.08603	7.4
96.08134	0.9
97.06527	0.8
97.10175	1.4
100.07609	0.5
105.07042	1.9
107.08588	2.5
109.06508	1.0
109.10138	6.4
112.07593	0.5
119.08569	3.8
121.06435	0.7
121.10141	1.7
123.08090	1.1
123.11705	1.3
130.19386	0.4
131.08575	0.5
131.65273	0.4
131.91061	0.4
133.10100	1.4
135.08057	0.5
135.11691	1.2
137.05966	1.5
137.09604	3.4
137.13278	0.8
144.75964	0.4
146.43147	0.4
147.11659	0.5
149.13239	0.5
151.07535	1.7
153.05504	0.4
153.81271	0.3
161.09680	0.5
189.12794	0.7
207.13782	0.6
212.23752	0.7
222.52757	0.5
245.22484	0.5
250.25287	0.9
256.26334	1.1
262.25320	1.8
263.23660	0.7
263.75552	0.4
268.26318	1.0
279.18826	0.4
280.26334	12.4
281.26767	0.5
284.09909	0.9
298.27374	13.7
299.19879	0.7
299.27689	1.0
316.12521	0.8
316.28430	40.0
317.06491	0.8
317.21100	2.6
317.28619	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05040	0.6
57.07070	4.1
60.04518	100.0
61.04871	0.5
67.05494	0.5
69.07063	0.7
69.78602	1.1
69.79024	0.6
70.06586	4.3
71.08632	2.5
72.04507	3.3
79.05491	0.6
81.03378	0.3
81.07053	1.1
83.04958	0.3
83.08642	0.3
85.10162	1.2
86.06081	0.4
88.07623	6.8
88.08156	0.4
91.05482	0.6
91.67010	0.2
93.07027	0.3
93.38387	0.3
95.04925	0.3
95.08599	0.8
96.13609	0.3
98.21435	0.4
101.85709	0.2
105.07056	0.5
106.08656	7.8
107.07744	0.3
107.08521	0.4
109.10147	0.7
111.98158	0.3
117.06897	0.3
119.08596	0.5
133.10147	0.4
136.93164	0.3
143.08493	0.3
147.11668	0.3
184.94383	0.3
242.24733	0.7
263.23587	0.5
280.26303	2.6
298.27301	2.2
298.30603	0.5
316.28650	1.7
316.32047	27.1
317.06415	0.6
317.20892	0.3
317.32419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Aflatoxicol B
Peak:m/z	Relative Intensity
50.69067	0.4
51.61973	0.4
53.03885	0.4
55.01835	0.6
61.33669	0.4
65.03904	0.7
67.05450	0.8
68.99750	1.4
69.03426	5.4
69.07040	0.4
71.52621	0.5
79.05488	1.0
81.03373	0.4
81.06999	1.1
83.04932	1.2
86.09698	0.7
91.05416	1.0
93.03342	1.8
93.07015	0.8
95.04923	1.0
97.02816	0.5
105.06989	1.4
107.04890	0.7
107.08564	0.8
109.02821	1.4
109.06519	0.5
111.04379	1.6
115.05412	0.6
119.04896	1.2
119.08529	0.8
121.02873	4.7
126.13027	0.4
127.03887	0.5
128.06206	0.4
129.07008	0.4
131.04930	0.8
131.08485	0.5
131.47665	0.4
133.06473	0.6
133.10036	0.4
135.04399	0.4
135.11734	0.4
137.01324	0.5
137.02322	3.6
143.08510	0.6
145.02809	1.6
145.09987	0.6
146.03571	0.5
149.02379	0.7
151.03899	1.1
151.07535	0.4
152.06148	0.9
152.35381	0.4
153.01746	0.6
155.03300	0.5
157.10051	0.4
159.11624	0.4
161.02301	1.8
161.05946	2.8
163.03885	2.3
163.11127	0.5
165.06955	1.0
166.07724	0.7
167.03368	1.8
167.08485	1.0
169.04942	0.9
177.06987	0.8
179.03377	23.3
181.04912	0.9
181.10167	0.5
181.12189	0.4
187.03735	0.7
191.06940	0.4
191.10603	0.5
195.08046	3.0
197.04468	2.9
211.07491	0.5
216.04248	0.5
219.67990	0.5
221.06003	0.7
222.06734	1.0
223.07535	3.1
225.05377	0.6
227.06813	0.6
227.12756	0.4
229.05025	2.9
240.07739	0.7
241.08466	0.8
251.06998	1.2
254.05794	0.4
255.06497	1.4
255.10132	2.5
268.07297	0.7
269.08005	3.0
271.05881	0.9
272.06616	0.6
273.03952	0.7
273.07687	0.7
279.06464	3.0
283.09607	8.9
284.10419	1.5
297.07553	100.0
297.79260	0.4
298.07852	2.1
300.06226	1.1
315.05011	5.2
315.08603	51.3
315.12219	4.7
315.17398	3.5
316.08929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2229
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
50.31650	0.7
51.18394	0.6
55.05494	4.1
56.05039	0.9
57.05806	0.8
58.06596	0.7
60.04519	4.2
61.81694	0.7
67.05481	1.4
69.03422	3.1
69.07060	7.5
70.06586	14.5
70.60831	0.6
71.52341	1.3
72.04528	0.8
72.08149	68.5
73.08488	1.4
79.05483	1.4
81.03407	1.3
81.07037	1.1
84.03513	0.7
84.04491	2.9
84.08147	6.0
85.02890	2.2
86.09699	100.0
87.05589	2.3
87.10020	2.2
91.05485	2.1
93.07075	1.3
95.04990	0.9
96.08130	1.5
96.64690	0.6
97.02894	1.5
106.06551	0.6
108.08128	2.5
108.91890	0.7
109.06537	0.9
109.17331	0.6
110.07117	1.0
116.07083	25.0
118.06544	1.1
119.04971	1.9
119.08570	0.8
120.08119	0.7
121.06502	0.9
122.06015	2.1
123.04426	4.9
124.07593	2.9
126.09166	1.0
128.10724	1.4
129.10262	1.7
130.06546	2.0
130.08563	0.9
131.04874	0.6
132.08150	0.8
134.06039	1.1
135.04405	1.0
135.06793	1.4
136.07646	4.0
137.02313	0.7
137.05994	2.2
137.08345	11.7
138.09135	1.6
138.75304	0.6
139.03888	1.7
146.06024	0.9
147.04434	1.3
151.90747	0.7
152.05309	1.3
153.05493	1.1
153.06604	0.8
154.08600	12.3
155.06848	0.8
159.09299	0.7
161.05992	1.6
161.09625	1.2
163.03929	2.1
165.01878	0.8
165.05490	8.5
170.06335	21.5
171.06721	1.4
171.14919	24.2
171.16359	1.5
173.12857	13.8
188.07108	1.7
199.14410	10.9
199.18031	21.6
200.14793	0.7
201.12392	2.6
203.13882	8.4
213.10405	0.7
217.15555	2.1
227.17500	8.9
253.09624	0.9
255.06622	1.5
258.05194	0.8
266.09372	0.7
270.08182	0.7
270.12918	2.0
271.11548	1.6
287.10245	2.2
298.57901	0.8
299.10324	1.7
301.07144	1.7
316.09067	3.7
316.14056	1.5
317.03094	1.0
317.06375	3.9
317.12076	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.98725	0.1
58.22952	0.1
69.45234	1.0
69.58411	0.2
83.01350	0.2
98.21490	0.3
104.00127	0.2
124.01537	0.5
133.02867	0.2
148.05208	1.1
148.06265	0.2
149.05920	0.2
151.03828	0.5
152.00981	0.2
153.01801	1.0
165.62817	0.2
167.03329	0.4
170.02130	0.3
175.03865	0.2
213.05573	0.2
218.74503	0.2
229.04932	12.6
230.05305	0.3
242.05644	0.2
243.06494	0.5
257.04413	13.4
258.04721	0.3
269.04532	0.3
271.06033	0.3
272.06757	23.0
273.07053	0.6
283.06027	0.5
284.03067	0.5
285.03934	1.5
299.05438	2.6
300.06247	64.0
301.06613	1.2
315.08572	100.0
316.08875	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	315.0858
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
66.43963	0.4
66.53415	0.4
70.97416	1.1
75.85198	0.4
78.29057	0.4
81.03408	0.5
95.04961	1.9
105.03385	2.7
107.04903	0.6
111.94341	0.4
118.04150	0.5
122.03529	0.5
125.02312	0.6
125.05970	0.6
135.04427	0.8
136.05144	1.0
137.02328	0.9
149.02281	0.7
149.05931	1.3
150.03181	0.5
151.03902	1.3
153.01773	1.6
153.06961	0.7
161.02321	3.1
161.05963	1.1
163.03876	0.5
165.01836	2.1
165.05453	0.7
166.02606	0.6
168.28516	0.4
169.04912	0.8
171.08057	0.7
175.03905	1.2
177.05455	3.9
177.06749	0.5
181.04951	16.3
181.06453	1.1
182.07336	0.4
183.02884	1.1
185.09747	0.5
191.03349	0.7
193.04929	0.7
197.05829	0.6
198.06728	1.3
199.07558	0.9
203.10645	0.8
211.07523	0.4
213.09071	1.9
216.07991	0.5
217.08536	0.7
219.06415	0.6
220.02086	0.4
223.07538	0.6
225.05551	0.7
226.06255	1.9
227.07010	1.0
229.04965	0.4
230.05772	0.6
231.10236	1.3
237.05446	0.5
241.08565	3.7
243.06548	1.2
244.07274	2.0
245.08101	1.0
253.04871	0.6
254.05707	3.4
255.06418	1.1
257.04437	0.5
259.09616	8.4
269.08041	5.9
271.06165	1.9
272.06735	1.0
282.05161	1.4
283.06006	2.8
283.09659	1.8
287.09167	1.9
297.07504	2.3
299.05475	1.7
300.06265	3.4
315.08591	100.0
316.08981	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
55.84037	0.2
64.49480	0.3
67.05467	0.5
68.99756	0.4
70.58327	1.0
79.05460	0.8
81.03403	0.7
83.01331	1.2
89.03926	0.4
95.04939	0.5
106.13565	0.3
107.04928	0.5
117.03411	0.3
127.05510	0.3
135.04404	2.9
137.02316	1.1
152.42229	0.3
161.02324	0.7
161.05974	0.7
163.03915	0.3
167.08548	0.5
179.03355	1.6
181.03378	0.6
181.04945	7.4
181.06534	0.5
195.08017	0.9
197.04408	0.3
213.05420	0.6
213.09123	0.3
223.07446	0.5
240.08873	0.8
255.11119	0.7
259.05981	0.4
269.07968	1.3
283.09735	0.8
287.05640	0.4
297.07507	0.9
297.12335	0.5
299.05463	0.4
300.06195	1.1
313.07034	2.9
315.08600	100.0
316.08887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03941	0.5
55.01858	1.3
55.05508	0.4
56.96568	0.3
67.05489	1.5
68.99830	0.3
69.03445	0.4
70.72161	0.4
70.72485	0.5
79.05470	0.9
80.20194	0.3
81.03410	0.4
81.07043	0.5
83.00988	0.3
83.01345	2.7
83.04963	0.4
91.05470	0.9
93.07024	0.5
95.04945	2.9
97.02876	0.3
97.06512	0.8
105.03387	3.1
105.07014	0.6
105.11460	0.3
107.04962	1.9
109.02856	0.7
109.06528	0.3
109.10150	0.4
117.03374	0.7
119.04906	0.4
121.02855	0.3
121.06493	0.6
123.04417	1.2
125.05942	0.9
129.06993	0.6
131.04900	0.5
131.08531	0.4
133.02844	0.3
133.06480	0.4
135.04378	1.5
137.02347	0.5
137.05931	0.5
138.06775	0.4
147.04422	0.7
149.02306	0.3
149.05963	1.2
151.03885	1.3
153.01805	1.0
153.05481	0.8
157.06444	1.1
157.10101	0.8
159.08028	0.4
160.91602	0.3
161.02325	4.0
161.06023	1.4
161.09546	0.4
161.24603	0.3
163.03860	0.5
165.01793	0.4
165.05505	0.3
165.06984	0.7
167.03401	0.8
167.08539	1.0
169.04987	0.7
170.07127	0.3
175.03877	1.0
175.07573	0.4
177.05461	5.0
177.06898	0.7
179.03403	1.5
179.08571	0.4
181.04938	22.8
182.05231	0.5
185.05907	0.6
185.09612	1.0
188.08182	0.5
191.07021	0.6
193.04878	1.6
193.76723	0.3
195.02859	0.5
195.08052	1.5
197.04333	0.6
198.06693	1.8
199.03821	0.3
199.11237	0.3
203.00993	0.3
203.03391	1.0
203.10661	0.5
206.05869	0.4
211.07567	0.4
213.05421	0.6
213.09070	2.2
216.04187	2.7
217.08507	0.6
219.06488	0.9
222.06685	0.4
223.07562	1.4
225.08925	0.4
226.06195	1.1
229.04834	0.3
231.10115	2.4
239.07037	0.4
240.07866	0.7
241.08571	4.2
243.06413	0.6
244.07243	1.2
245.08061	1.2
251.06927	0.6
254.05688	0.7
255.06665	0.4
255.10091	0.9
257.04413	0.8
257.08096	0.6
259.05826	0.4
259.06345	0.4
259.09619	8.6
262.34988	0.3
267.06454	0.4
268.07437	0.4
269.08054	10.7
270.08572	0.3
272.03207	0.3
272.06760	1.1
282.05212	0.4
283.06421	0.6
283.09616	3.9
285.03851	0.6
287.05453	3.7
287.09070	1.9
297.07516	3.5
299.05481	0.9
300.06155	0.7
315.05231	5.2
315.08578	100.0
316.05750	0.4
316.08823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	Coeloginin
Peak:m/z	Relative Intensity
51.02386	0.1
53.03935	0.6
55.01868	0.4
55.05500	0.2
56.75307	0.1
57.03412	0.2
57.10588	0.1
61.82758	0.2
65.03914	0.6
67.05494	0.4
68.99796	0.2
69.03394	0.2
70.06580	0.1
71.29800	0.2
71.30123	0.2
72.13067	0.2
77.03934	0.2
79.05481	0.8
81.03429	0.7
81.03803	0.2
81.07034	0.4
82.04186	0.2
83.01354	0.3
83.04965	0.5
89.03905	0.6
90.04694	0.2
91.05460	0.8
93.03394	0.4
93.07030	0.3
95.04964	1.6
95.08617	0.2
97.06541	0.2
98.87288	0.2
103.05456	0.2
105.03378	4.0
105.04454	0.2
105.07010	0.4
106.04190	0.2
107.04935	1.6
109.02860	0.4
109.06532	0.3
110.03671	0.7
111.04444	0.2
115.05466	0.2
117.03360	0.4
119.04922	0.3
119.08540	0.2
121.02839	0.6
121.06499	0.3
123.04359	0.3
123.08098	0.1
125.02304	0.4
125.05956	0.7
128.06245	0.3
129.03348	0.4
129.07011	0.3
131.04913	0.3
133.02826	0.6
133.06451	0.2
133.32245	0.1
134.03616	0.6
135.04381	1.5
135.07957	0.2
136.05215	0.3
137.02316	0.8
137.03284	0.2
137.05949	0.6
138.03107	0.9
138.06746	0.3
141.06979	0.2
142.07817	0.2
143.08531	0.2
145.02895	0.2
145.06473	0.2
146.03596	0.3
147.04424	0.5
149.02332	0.6
149.06001	1.3
151.03891	1.0
151.07523	0.2
152.06219	0.2
153.01836	1.5
153.05490	0.3
153.06972	0.9
155.08537	0.2
157.06499	0.2
157.10069	0.1
158.07256	0.2
159.08095	0.2
161.02316	4.8
161.05966	1.1
161.09596	0.3
163.03928	0.4
163.07489	0.2
163.11189	0.1
165.01804	0.6
165.05609	0.3
165.06969	0.7
165.08179	0.2
166.02611	0.4
166.07718	0.3
167.03438	1.1
167.07150	0.2
167.08528	0.4
168.05722	0.2
169.04938	1.4
169.06447	0.5
170.07263	0.3
171.08037	0.5
173.06046	0.3
175.03857	0.9
175.07599	0.2
177.05457	4.5
177.06900	0.3
178.06160	0.2
179.03366	0.5
181.04941	24.8
182.05283	0.4
182.07182	0.4
183.02875	0.2
183.08063	0.3
184.03661	0.4
184.05142	0.2
185.05959	0.2
185.09653	0.4
188.08327	0.2
189.09010	0.2
191.07027	0.4
193.04929	0.6
193.06508	0.3
195.06512	0.2
195.08063	0.9
197.00851	0.2
197.05954	0.6
197.09680	0.2
198.06725	1.4
199.05945	0.3
199.07533	0.9
203.03380	0.4
203.10675	0.7
207.06502	0.6
209.05904	0.4
210.06757	0.4
211.05856	0.2
211.07574	0.6
213.05551	0.3
213.09081	1.8
215.07042	0.3
216.07829	0.4
217.08557	0.6
219.06514	0.7
222.06750	0.3
223.07475	1.1
225.05444	0.4
226.06195	1.4
227.03450	0.2
227.06985	1.3
229.05037	0.5
230.05734	0.3
231.10170	2.0
237.05461	0.4
239.06941	0.3
240.07799	0.3
241.08572	4.0
242.08897	0.2
243.06499	2.6
244.07352	1.8
245.04417	0.2
245.08044	1.3
251.06972	0.5
253.05020	0.9
254.05713	3.6
255.06400	0.7
255.10022	0.9
256.07251	0.3
257.04279	0.4
257.07974	0.4
259.09631	9.4
260.09918	0.3
269.08054	7.6
271.05942	1.1
272.06714	1.3
281.04431	0.5
282.05246	1.5
283.06006	1.4
283.09613	2.5
284.10217	0.3
287.09103	2.1
297.07538	2.8
299.05457	5.0
299.10803	0.2
300.06235	3.2
313.03400	0.3
315.08575	100.0
316.08881	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	315.0493
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.03926	0.2
55.01868	4.2
55.05527	0.1
60.04517	0.4
61.62297	0.1
65.03929	0.2
67.05515	0.2
68.99780	1.9
69.03404	0.2
69.07062	0.2
71.01354	0.3
71.25311	0.1
71.52067	0.1
71.52460	0.2
72.04510	0.5
77.03907	0.1
79.05502	0.2
81.03412	1.1
83.01333	0.2
83.08628	0.2
84.04485	0.1
91.05488	0.3
93.07015	0.2
95.04986	0.4
95.08580	0.1
99.00842	0.3
103.05470	0.3
105.03395	0.2
105.07078	0.3
107.01316	0.1
107.04939	0.2
107.08599	0.1
109.02863	0.7
115.05472	0.1
117.06968	0.1
121.02873	0.6
123.00759	0.8
123.04400	0.5
127.03899	0.8
127.45387	0.1
128.06192	0.2
129.07004	0.4
131.04024	0.1
131.04906	0.7
133.02927	0.2
133.06461	0.1
135.04399	0.4
137.02332	17.1
137.03418	1.9
138.02690	0.3
139.03874	0.2
139.05452	0.3
141.01805	10.5
141.07045	0.2
142.02182	0.1
143.04909	0.2
145.02821	0.2
145.06488	0.2
149.02315	0.7
149.06003	0.4
151.03851	0.6
152.06175	0.2
152.70633	0.1
153.01936	0.2
157.06488	0.6
157.18634	0.1
161.05959	0.9
163.03886	4.2
165.01823	4.7
165.06969	0.3
167.04938	0.3
171.04430	0.5
175.07597	0.2
177.01804	0.1
177.05383	0.2
177.06973	0.1
179.03400	0.2
183.02867	5.2
185.05977	1.1
187.03889	1.1
189.05469	0.3
191.03423	0.2
195.04463	0.3
195.08054	0.5
197.05962	0.2
199.03909	0.5
203.03395	0.1
203.07011	0.3
205.01241	0.1
213.05466	1.9
215.03276	0.1
217.04965	1.2
219.02899	0.2
223.07552	0.5
226.48587	0.1
227.03300	0.3
231.06586	0.3
232.59166	0.1
240.07744	0.2
241.04915	2.6
245.04582	0.1
251.06944	0.2
255.10164	0.3
259.06012	1.2
269.04523	0.7
269.07465	0.1
283.09573	1.2
284.10504	0.1
287.05460	1.2
300.06113	0.1
315.04935	100.0
316.05267	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	315.0858
Annotation	Pityrogrammin
Peak:m/z	Relative Intensity
53.03925	0.6
55.01863	4.3
55.05492	0.2
60.04504	0.7
62.33121	0.2
65.03933	1.6
67.05494	3.1
68.99773	2.5
69.03402	0.8
69.43279	0.3
69.43681	1.2
77.03907	0.3
79.01831	0.3
79.05466	0.4
81.03394	0.7
83.01330	13.0
83.04978	0.5
91.05474	0.5
93.03394	1.7
93.07027	0.2
95.04950	4.2
97.30990	0.2
98.20691	0.4
99.00806	1.7
102.10293	0.2
103.05431	0.3
105.03391	1.3
105.07015	0.2
107.01298	2.0
107.08580	0.3
109.02845	0.8
109.06492	0.3
111.04344	0.2
111.37268	0.2
123.00726	0.5
123.03577	0.3
123.04412	5.0
127.03894	0.7
133.02843	0.6
135.04393	0.3
137.02321	5.5
137.05966	2.0
138.46808	0.2
141.01805	6.4
141.05396	0.2
145.10045	0.3
146.80774	0.2
149.05928	0.4
149.09612	0.2
151.03882	10.2
153.05447	0.7
155.03368	3.9
161.02304	0.4
161.05946	0.8
163.03815	0.2
165.06926	0.3
169.04921	2.0
177.05516	0.3
179.03365	100.0
180.03699	1.5
193.04977	1.8
195.08026	0.8
197.04425	76.0
198.04771	1.0
205.04930	4.7
205.06703	0.4
206.05305	0.3
211.07605	0.3
220.06033	0.2
223.07489	0.6
251.07056	0.3
255.10101	0.4
269.08014	0.5
270.24091	0.2
273.07504	0.9
283.09641	2.4
297.07617	0.9
309.38583	0.2
315.08582	27.2
316.08923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.8
55.05503	8.6
57.03432	22.1
57.07071	69.6
67.05498	13.5
69.07065	11.4
69.26057	2.2
69.26480	5.5
71.08625	42.5
75.04472	1.3
79.05478	1.5
80.51213	0.6
81.06600	0.9
81.07051	16.6
83.08152	1.2
83.08610	13.7
85.06518	1.2
85.10176	23.1
89.06040	4.1
93.10539	0.7
95.08600	25.4
96.97032	0.9
97.10168	6.5
98.20744	1.5
99.11678	1.1
100.63844	0.7
103.07568	2.8
108.91211	0.7
109.10145	10.8
111.11699	2.3
113.08758	0.7
115.14708	0.8
117.09145	1.3
123.11682	4.6
125.13127	0.6
127.65875	0.7
137.13258	1.6
162.21938	0.8
230.94052	0.7
239.23721	4.2
256.53397	0.8
257.24695	6.7
275.25623	0.9
298.27615	1.0
313.27338	100.0
314.27646	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	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
56.05037	0.3
56.96560	3.6
57.03421	0.7
61.01150	1.1
61.02937	0.4
65.03947	0.3
68.05002	0.3
69.03428	2.9
69.07047	0.3
70.06586	3.0
70.18647	1.1
72.08148	0.6
73.02907	0.3
74.06073	0.4
74.26552	0.3
74.97597	0.3
81.03401	0.8
81.07086	0.3
84.04488	0.9
84.08115	0.5
84.96032	0.5
85.02890	1.9
86.09725	0.4
86.99046	0.6
87.02695	0.3
94.04039	0.4
95.06091	0.8
97.02883	44.9
98.03221	0.3
98.97561	2.3
99.04443	0.4
105.24892	0.3
107.04942	0.4
108.08122	0.5
110.07145	1.2
111.04453	0.3
112.07630	0.5
116.07075	0.6
116.98613	2.4
119.01767	0.3
119.03532	0.5
121.06501	0.6
127.03841	0.4
128.98567	0.6
130.93385	0.3
131.00163	0.3
134.99632	1.2
135.05391	0.5
136.06171	100.0
137.04561	0.9
137.06396	0.2
140.07204	0.3
143.00163	0.2
143.00600	0.3
143.01617	2.5
146.99654	0.6
148.06152	0.7
149.06924	0.4
152.05724	0.6
152.07033	0.9
153.00717	0.3
158.83452	0.3
158.99644	0.4
159.03279	0.5
161.01399	0.4
161.02676	1.8
161.04817	0.6
163.03922	0.4
164.05659	6.1
172.94292	0.4
177.00635	0.5
177.04192	0.4
178.07245	2.6
179.02242	0.3
179.03682	1.5
184.02948	0.3
190.95354	1.6
199.10712	0.5
204.05733	0.3
205.03728	0.7
208.96498	0.7
211.14323	0.5
219.01762	0.4
223.04822	0.7
232.04987	0.3
232.96446	0.8
237.02852	0.7
246.98230	0.3
248.07838	0.8
248.99278	0.3
250.09460	0.4
250.97307	0.5
272.95779	0.3
278.07071	0.8
284.05966	0.3
290.97034	1.4
296.08157	3.0
296.11237	0.5
298.11008	0.3
300.84338	0.3
314.05750	0.5
314.09161	6.0
314.12741	0.4
314.17929	0.8
315.07755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0702
Annotation	Aflatoxin B1
Peak:m/z	Relative Intensity
51.80859	0.1
53.03932	0.3
55.01867	2.4
55.05499	0.1
55.66505	0.1
57.07056	0.1
58.59444	0.1
65.03920	0.4
67.01862	0.1
67.05499	1.1
68.99775	1.0
69.03417	0.6
69.79998	0.4
71.08608	0.1
74.68951	0.1
79.01816	0.1
79.05476	0.3
81.03399	0.4
83.01332	6.9
83.04963	0.2
86.29634	0.1
89.03893	0.3
91.05452	0.2
93.03400	0.7
95.04958	2.1
95.08614	0.1
99.00816	0.6
105.03384	0.7
105.06978	0.2
106.53249	0.1
107.01295	0.4
107.04971	0.1
109.02857	0.6
109.10146	0.1
117.03354	0.2
123.00842	0.3
123.04413	1.1
127.03914	0.7
131.04953	0.2
133.02890	0.2
135.04402	2.4
137.02327	9.6
137.03363	0.4
138.02647	0.1
141.01813	4.6
147.04364	0.1
151.03883	6.5
155.03378	2.9
161.02403	0.1
161.05975	0.1
165.06929	0.1
169.04956	2.0
175.03864	0.1
177.05431	0.7
179.03372	33.4
180.03685	0.6
184.40349	0.1
197.04436	20.0
198.04744	0.4
199.07385	0.1
203.03436	0.2
203.06635	0.1
218.52533	0.1
221.04362	0.3
223.07480	0.1
225.08945	0.1
229.08311	0.1
239.06821	0.2
247.52345	0.1
285.04642	0.1
285.07529	0.9
285.10510	0.2
295.06082	0.1
295.09552	0.2
311.05585	0.3
313.07016	100.0
314.03653	0.2
314.07361	3.3
314.13446	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1542
Annotation	H-PHE-PHE-OH
Peak:m/z	Relative Intensity
53.03937	0.4
54.48231	0.1
55.01851	0.2
61.20534	0.2
65.03931	0.5
67.05493	0.4
69.03416	0.6
70.06573	0.3
70.15845	0.7
71.04983	0.1
71.08611	0.2
79.05496	0.3
81.03409	1.1
81.07042	0.2
85.02904	0.5
86.09694	0.3
91.05461	1.0
93.03380	0.4
93.07039	1.9
95.04956	0.6
95.08584	0.2
97.02875	0.3
99.04433	0.2
103.05455	6.5
105.06990	0.3
107.04962	0.3
109.02866	0.5
111.04427	0.4
116.64626	0.1
119.04930	0.6
119.08510	0.2
120.08090	100.0
121.02856	2.1
121.08444	1.2
123.04419	0.2
125.05936	0.2
127.03893	0.2
128.83791	0.2
131.04910	0.5
135.04384	0.2
137.02307	0.2
143.06975	0.2
145.02785	0.6
146.05962	0.3
149.02293	0.8
151.03893	6.6
151.04990	0.5
152.04231	0.2
153.01804	0.3
157.06474	0.2
163.03885	0.5
165.01796	0.2
166.08618	4.6
167.03406	1.3
169.04984	0.8
177.01840	0.8
177.05472	0.2
181.04926	0.2
182.07173	0.2
183.02840	0.2
187.03925	0.2
191.07069	0.2
195.02983	0.7
195.04405	0.2
197.04280	0.2
197.06001	0.2
210.06650	0.2
227.07071	0.2
229.05042	0.3
239.07031	0.4
242.05771	0.3
243.06616	0.2
255.06471	1.0
256.07208	1.0
267.06488	2.0
267.14902	0.4
270.05182	0.8
277.10458	0.2
283.05936	2.3
284.06757	4.2
285.07391	0.8
295.05600	1.2
296.06360	0.2
313.07016	24.3
314.07404	1.5
314.49023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	1.0
55.05507	12.3
56.05834	1.7
57.03160	0.8
57.03434	21.3
57.07070	65.2
58.07398	1.4
59.03847	0.7
61.14848	0.8
67.05498	13.9
68.05816	1.0
68.66837	0.7
69.07066	15.0
69.87965	4.5
70.07390	2.4
71.04977	1.0
71.08624	38.5
72.08953	1.9
78.37173	0.7
79.05483	1.1
81.07046	17.5
82.07381	0.6
83.08611	14.3
84.08944	2.0
85.10177	20.4
86.67715	0.9
89.06016	3.4
93.07034	2.0
95.08602	23.0
97.06530	0.9
97.10159	8.7
98.10488	1.2
98.21474	0.9
99.10838	0.8
99.11737	1.6
103.07550	2.5
104.28267	0.8
107.08614	0.8
109.10146	11.5
111.11722	2.0
112.12050	1.0
115.50845	0.8
117.09196	0.8
123.11681	4.5
125.13250	0.9
137.13260	1.7
239.23752	4.7
257.24741	5.8
298.27316	1.8
313.27319	100.0
314.27588	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	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01848	3.0
55.05523	1.3
56.05016	1.3
57.03418	4.8
59.68596	1.1
61.02922	11.4
65.82909	1.2
69.03423	13.6
69.07046	11.6
70.06580	3.8
71.04984	2.6
71.52380	1.3
71.52842	1.4
72.08143	2.4
72.79047	1.3
73.02897	3.8
73.44422	1.4
81.03406	7.1
84.08155	1.8
85.02895	100.0
85.39126	1.2
86.09681	1.5
87.04465	3.3
87.08096	15.8
87.16024	1.3
91.03944	5.8
91.05473	3.1
93.07014	1.5
95.04955	2.9
96.91214	1.6
97.02877	23.4
99.04453	4.3
105.03362	2.2
105.09092	2.2
105.93000	1.4
106.03678	1.3
107.04920	2.3
109.02878	7.9
110.07151	5.1
112.96445	1.2
115.07595	1.5
119.04956	1.7
127.03916	22.8
129.10258	1.7
133.08568	4.8
135.04401	1.4
136.07565	2.5
145.04938	41.2
148.45973	1.2
149.17882	1.2
150.05478	28.8
151.03893	6.9
160.07607	2.6
162.05455	4.4
163.06010	10.2
175.03836	1.4
188.07086	1.6
204.10150	5.2
208.64742	1.3
250.10724	8.9
266.18640	1.5
268.15482	1.5
295.13715	1.5
312.18390	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	312.1956
Annotation	Spiradine A
Peak:m/z	Relative Intensity
65.03931	0.7
67.05503	0.4
71.13324	0.4
71.13655	0.7
72.08142	0.4
73.02916	0.3
73.04575	0.3
79.05485	0.5
81.03407	0.7
81.07052	0.8
81.42965	0.3
85.02893	0.3
91.05477	24.3
93.07030	0.5
95.04955	1.5
95.08575	0.3
99.62125	0.3
105.06982	0.8
106.06561	0.5
107.08526	0.3
109.06504	0.4
117.07000	0.4
118.06537	22.1
119.04948	10.7
119.07359	0.6
120.08080	0.6
122.09121	0.3
130.06482	0.3
131.07381	0.4
131.08595	0.3
132.08087	8.4
133.08864	3.4
134.09628	1.6
137.05957	3.3
145.10153	0.3
146.09619	8.1
147.10568	0.5
151.03911	1.2
160.11243	0.7
164.70395	0.3
176.14337	100.0
177.01852	0.3
177.14677	3.1
185.07112	0.5
196.66637	0.3
311.01663	0.3
312.19550	76.6
313.19943	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	311.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51999	4.5
51.67605	3.7
53.03935	5.7
54.22340	4.3
55.01850	4.3
55.05500	39.4
57.03426	16.5
57.07069	24.0
66.27439	4.1
67.05507	36.3
69.07064	90.3
70.69192	8.1
70.69588	7.9
71.04974	6.4
71.08631	15.4
79.05491	22.5
81.07044	45.8
83.08612	47.4
91.05470	39.1
93.07036	100.0
95.04967	55.3
95.08601	81.5
97.06537	27.2
97.10155	29.7
105.07024	64.5
107.08598	53.5
109.06516	13.4
109.10162	42.1
111.11689	11.4
117.07002	17.7
119.08565	70.3
121.06506	17.6
121.10146	55.5
123.08070	19.7
123.11695	16.8
128.06241	4.5
131.08565	20.7
133.10127	40.9
135.04427	8.7
135.08043	12.9
135.11632	21.4
137.09619	8.3
137.13275	8.1
142.07794	7.9
143.08524	12.9
144.09346	5.8
145.10132	39.1
147.11661	22.7
149.09634	6.2
149.13258	7.1
156.09219	5.0
157.10072	26.0
159.11697	47.6
161.09612	18.8
161.13284	12.1
169.10123	14.7
171.11687	18.4
173.13254	10.4
175.14842	12.3
177.16408	17.6
181.10094	6.0
182.70876	4.5
183.11615	6.7
185.13216	13.0
187.11192	4.6
187.14977	5.8
189.16331	15.2
197.13205	11.8
199.14825	8.7
201.16362	11.6
209.11656	8.6
211.14758	12.7
213.16292	7.3
215.17870	11.1
219.17520	5.2
223.14854	10.4
237.11198	8.5
255.21001	5.9
283.24420	5.9
293.22528	7.0
311.16312	4.6
311.26346	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07512	6.7
55.05503	61.4
55.05977	6.2
57.07072	93.2
67.05487	27.5
69.07061	100.0
69.24622	61.6
69.25043	11.3
71.08633	50.5
79.05465	25.3
81.07059	50.6
83.04954	11.1
83.08614	74.0
85.10188	33.8
91.05480	12.4
93.07024	45.5
95.08605	55.9
97.06519	14.8
97.10143	43.3
106.20972	6.5
107.08583	27.2
109.10133	32.6
111.04425	9.5
111.08042	14.6
111.11721	14.9
119.08569	8.9
121.10129	30.1
123.11682	21.0
125.09594	13.1
133.10139	7.0
135.04390	21.0
135.11655	28.3
139.11119	13.3
145.10083	8.1
149.13217	31.0
153.05469	8.5
153.12691	11.4
157.10106	10.6
161.09618	19.5
163.14819	16.0
168.62354	7.1
177.16322	11.7
209.11679	44.0
233.86711	6.6
237.11197	41.6
255.89915	6.5
275.27304	28.6
293.28296	9.0
308.50565	6.7
311.25854	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	311.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07512	6.7
55.05503	61.4
55.05977	6.2
57.07072	93.2
67.05487	27.5
69.07061	100.0
69.24622	61.6
69.25043	11.3
71.08633	50.5
79.05465	25.3
81.07059	50.6
83.04954	11.1
83.08614	74.0
85.10188	33.8
91.05480	12.4
93.07024	45.5
95.08605	55.9
97.06519	14.8
97.10143	43.3
106.20972	6.5
107.08583	27.2
109.10133	32.6
111.04425	9.5
111.08042	14.6
111.11721	14.9
119.08569	8.9
121.10129	30.1
123.11682	21.0
125.09594	13.1
133.10139	7.0
135.04390	21.0
135.11655	28.3
139.11119	13.3
145.10083	8.1
149.13217	31.0
153.05469	8.5
153.12691	11.4
157.10106	10.6
161.09618	19.5
163.14819	16.0
168.62354	7.1
177.16322	11.7
209.11679	44.0
233.86711	6.6
237.11197	41.6
255.89915	6.5
275.27304	28.6
293.28296	9.0
308.50565	6.7
311.25854	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	311.0546
Annotation	Maxima isoflavone A
Peak:m/z	Relative Intensity
53.03930	0.2
55.01866	0.2
55.05502	0.1
65.03925	0.4
67.05490	0.2
68.66128	0.1
68.99776	0.3
69.03396	0.1
69.07057	0.3
69.75473	0.6
79.05469	0.6
81.03407	1.4
81.07037	0.3
84.08104	0.1
85.02865	0.1
86.09674	0.1
86.90833	0.1
88.27237	0.1
89.03904	1.1
91.05465	0.2
92.01064	0.1
93.03384	0.3
93.07026	0.4
95.04934	0.2
95.08566	0.3
99.04450	0.1
100.11217	0.1
105.07027	0.2
107.04960	0.7
107.08576	0.3
109.02855	0.2
109.10126	0.2
111.04438	0.1
117.03361	1.0
119.08592	0.2
121.02019	0.1
121.02856	1.9
121.10135	0.3
123.11673	0.1
135.04402	6.8
136.01546	0.1
137.02350	0.9
137.03336	0.2
137.05933	0.2
147.00708	0.1
147.04350	0.2
149.02328	3.2
151.03889	0.2
152.06213	0.2
153.06903	0.2
161.02335	2.0
165.06999	0.1
167.03380	3.5
177.01814	12.4
178.02068	0.1
179.03357	0.1
181.06485	0.9
195.02843	0.8
197.06010	0.2
209.05876	0.5
227.06868	0.2
237.05435	1.0
241.08260	0.1
247.03853	0.2
255.06525	0.5
265.04907	0.9
283.06006	3.5
293.04361	0.7
310.04584	0.2
311.05457	100.0
312.02512	0.2
312.05820	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03944	2.7
55.01852	3.4
55.05503	19.2
57.03421	5.0
57.07078	15.3
58.89268	2.8
67.05489	16.1
69.07052	9.2
71.04996	2.3
71.08617	10.5
71.53471	3.5
79.05476	11.0
81.07062	18.3
83.04969	4.0
83.08624	11.6
91.05458	8.2
93.07033	15.7
94.32023	2.3
95.04941	5.2
95.08604	17.6
97.06540	2.9
97.10159	6.4
99.08099	6.3
105.07040	7.2
107.04958	3.3
107.08582	10.6
109.02838	3.8
109.10132	9.1
111.04449	12.1
119.08575	5.8
121.06496	4.3
121.10121	9.1
123.11703	3.3
125.05956	3.9
125.09618	3.6
129.06978	2.4
131.08514	3.1
133.10138	4.3
135.04451	4.9
135.11674	4.1
141.09100	2.6
145.10086	6.1
153.05434	9.1
165.12749	7.5
181.12222	5.8
191.10638	7.3
209.11694	58.1
237.11186	53.6
255.12311	7.4
275.20023	6.5
293.17816	3.8
293.21051	100.0
293.62448	2.7
294.21469	4.6
311.26099	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	311.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01862	2.8
55.05503	9.0
57.07059	1.6
65.62930	1.2
67.05496	18.4
69.03426	2.0
69.06767	1.0
69.07069	10.2
71.04978	2.7
71.52917	1.9
79.05485	12.6
81.03394	3.1
81.07047	17.3
83.04967	2.5
83.08604	6.2
85.06526	2.7
91.05474	10.8
93.07036	12.7
95.04964	4.5
95.08599	19.1
97.06520	4.4
97.07475	1.3
97.10197	2.8
99.08105	1.7
105.07024	9.2
107.04955	22.1
107.08571	9.7
109.06517	4.0
109.10151	10.1
111.04451	1.3
111.08092	1.5
111.92209	1.3
114.91573	1.2
117.03375	1.6
117.06997	3.5
119.08591	7.9
121.02861	5.3
121.06448	2.2
121.10134	6.0
123.08051	4.5
123.11684	5.1
125.09619	3.5
129.06944	1.8
131.08566	7.0
133.10141	8.2
135.04387	6.4
135.07980	1.5
135.11697	5.0
137.05969	19.6
137.09601	2.2
137.13271	1.3
138.06409	1.4
145.06471	3.1
145.10126	4.7
147.11684	4.1
149.02325	1.7
149.09596	3.6
149.13228	2.1
157.10112	2.5
159.08080	1.6
159.10278	1.4
159.11618	2.7
161.02328	2.4
161.13203	1.8
163.11206	3.3
167.03415	3.2
169.06422	1.1
169.10066	1.4
171.11635	3.3
173.11726	2.9
173.13202	2.2
175.14766	1.3
175.55771	1.1
177.01823	13.6
187.07587	2.1
193.12236	1.6
219.13831	1.3
239.17911	2.4
251.10703	1.8
257.18942	2.1
265.21509	1.4
275.20053	15.8
276.20114	1.3
283.06039	4.0
293.21146	4.6
311.05481	100.0
311.08707	4.1
311.12827	4.1
311.16467	2.4
311.20096	4.1
312.05777	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	309.2207
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03931	7.9
55.01865	5.4
55.05512	32.0
56.89989	3.1
57.03432	16.2
57.07083	3.3
61.90520	2.9
65.03947	4.0
67.05497	54.8
69.07066	33.9
70.74418	5.7
70.74813	5.6
71.08620	7.5
79.05491	42.9
81.03413	4.3
81.06595	4.1
81.07050	67.7
83.04951	5.4
83.08608	17.6
87.50672	3.1
91.05481	48.7
93.07037	71.8
94.07309	3.3
94.63349	3.0
95.04964	53.8
95.08597	61.6
97.06503	18.6
99.08089	8.9
103.05455	4.3
105.07024	82.4
107.08585	47.9
109.06506	12.9
109.10155	32.4
115.05453	6.2
117.07013	13.6
119.07717	3.4
119.08569	67.5
121.06489	14.0
121.10134	82.5
123.08033	6.1
123.11723	15.5
125.09578	4.3
128.06204	8.7
129.06979	17.6
130.07777	6.9
131.08575	33.2
133.10104	41.1
135.08054	5.8
135.11705	16.5
137.09576	3.6
141.06985	5.7
142.07777	21.6
143.08531	33.9
144.09326	9.2
145.06514	4.6
145.10121	48.0
147.08031	4.0
147.11687	11.3
151.11128	5.8
153.07021	5.2
155.08514	16.2
156.09294	14.5
157.10129	38.0
158.10905	3.9
159.08044	3.7
159.11659	32.8
161.09584	9.9
161.13202	9.1
163.11183	5.8
164.98471	4.1
167.08519	5.6
168.09328	4.8
169.10181	22.4
170.10872	8.4
171.11699	25.1
172.12306	3.8
173.09576	6.2
173.13243	13.8
175.14789	6.4
179.08600	4.7
180.09300	4.0
181.10091	10.7
182.10921	6.6
183.11700	23.6
185.13222	13.7
187.11197	9.8
187.14793	20.0
189.12730	4.2
192.09380	3.3
193.10094	9.8
194.10892	5.5
195.11650	12.3
197.13220	18.6
199.14841	10.0
203.08052	3.1
206.10938	4.7
207.11653	7.1
208.12364	3.0
209.13229	13.2
210.13821	3.6
211.14845	9.8
213.16391	5.8
215.14265	4.7
219.11827	4.1
221.13225	10.7
223.14844	7.9
225.12791	5.4
225.16353	9.3
235.14777	9.7
237.16127	3.7
239.17915	7.1
249.16367	3.4
251.18027	3.2
252.18333	3.2
253.15926	11.7
253.19482	3.5
256.87326	3.2
265.19427	3.2
281.22601	8.1
291.20926	10.4
309.21857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	1.9
55.01852	5.5
55.05279	2.5
55.05506	28.2
57.03415	1.8
59.04983	2.5
65.03912	1.8
67.05499	22.1
69.03416	3.3
69.07062	13.1
70.02187	8.7
79.05483	19.4
79.17934	1.4
81.03415	2.5
81.07047	23.8
83.04950	5.4
83.08609	14.0
91.05476	11.5
93.07032	12.6
95.04935	5.9
95.08592	9.5
97.06511	2.4
97.10153	24.8
97.46659	1.4
98.20903	1.6
105.07022	9.5
106.42348	1.7
107.04906	2.7
107.08573	12.4
109.06533	2.7
109.10129	4.9
111.08046	1.7
117.06976	4.3
119.08614	8.0
121.06515	2.9
121.10096	4.7
123.04408	2.0
123.08057	7.9
123.11679	1.8
125.09616	15.5
130.07414	1.3
131.08549	7.0
133.06403	1.9
133.10074	2.8
135.08006	2.3
135.11652	3.0
137.09587	4.0
137.68675	1.4
139.78160	1.6
145.10097	3.8
147.08000	2.7
147.11690	4.2
148.67480	1.8
149.09604	2.1
149.13197	1.6
156.97415	1.8
157.10011	1.8
159.11830	2.2
161.09659	2.9
163.11142	2.6
165.09073	4.6
171.11548	1.6
174.98500	2.0
175.11226	2.0
184.07317	2.9
189.11185	11.7
273.18439	14.1
291.19495	100.0
292.19785	6.4
301.01569	2.0
309.20578	4.0
309.24023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	7.1
55.01860	8.6
55.05506	30.1
57.03431	27.3
65.03928	4.8
67.05495	97.4
69.03414	8.1
69.07059	35.2
71.04972	6.1
71.52906	3.2
73.94097	2.7
79.05482	80.7
81.03416	13.0
81.07045	100.0
81.07533	5.0
83.04961	15.3
83.08609	12.7
85.06531	4.3
91.04900	4.8
91.05466	85.1
93.07030	80.9
95.04955	48.4
95.08595	72.0
97.02840	2.5
97.06523	13.5
97.10149	13.7
99.08077	4.8
105.07023	49.4
107.04948	10.4
107.08573	45.5
109.02879	4.6
109.06510	12.6
109.10136	24.1
110.06990	2.4
111.04449	2.8
111.08034	5.3
115.05414	3.9
117.06998	24.0
119.04886	4.4
119.08567	49.5
121.06464	8.2
121.10130	55.5
123.04422	17.7
123.08063	8.8
123.11708	6.9
125.09608	5.4
129.06998	10.6
131.08545	33.8
133.10112	26.7
133.42085	2.6
135.08037	7.1
135.11679	14.4
137.09607	8.1
139.11159	2.7
143.08565	11.0
143.72009	2.4
144.76764	2.3
145.10097	14.9
147.04402	8.2
147.08044	5.4
147.11676	12.3
149.09563	4.7
153.09103	3.1
157.10187	11.6
159.11678	3.0
161.09468	2.7
161.13258	5.1
163.11188	6.6
169.10133	2.7
171.11678	10.5
173.13281	9.7
175.11249	2.5
177.05502	3.3
179.10631	2.5
189.12720	6.2
189.16336	14.2
199.14764	15.0
203.08464	2.7
207.13857	6.0
217.15843	20.7
235.13251	14.2
235.16920	9.9
273.18445	7.8
277.08545	3.7
291.19446	10.4
309.07654	4.5
309.11124	6.0
309.16943	18.0
309.20566	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31136	2.0
53.03939	6.1
55.05502	10.6
57.03410	6.6
57.07073	3.0
67.05497	26.8
68.05830	1.9
69.07054	16.2
70.02809	4.4
70.03219	7.7
70.39389	1.9
71.04985	2.2
79.05482	26.0
81.03399	5.3
81.07046	33.3
83.04975	3.4
83.08591	5.4
85.99743	1.8
89.57564	2.1
90.46597	1.8
91.05463	34.8
93.07033	59.1
95.04960	43.5
95.08591	30.9
97.06517	17.7
103.05455	2.5
105.07020	73.6
107.08576	32.7
109.06499	10.4
109.10150	16.4
115.05412	3.3
116.06300	2.2
117.07014	14.8
119.08572	54.1
121.06487	6.9
121.10130	100.0
123.08009	8.1
123.11696	5.1
125.00418	2.3
128.06189	7.3
129.07013	12.3
130.07744	6.4
131.08551	26.4
133.06479	2.7
133.10129	35.4
135.08054	3.7
135.11659	9.1
137.09544	3.4
141.06955	5.1
142.07764	15.5
143.08572	22.5
144.09303	7.9
145.10109	39.4
147.07999	4.1
147.11670	10.2
149.09538	3.4
155.08531	12.6
156.09326	6.1
157.08859	2.1
157.10089	29.4
158.10846	4.8
159.08017	4.2
159.11668	32.2
160.12254	2.4
161.09628	10.2
161.13181	5.0
167.08601	2.8
169.10080	18.2
170.10846	3.9
171.11644	17.8
173.09602	3.8
173.13202	14.3
175.14854	6.5
181.10078	6.8
182.10861	5.0
183.11647	11.4
185.13213	9.5
187.11134	9.6
187.14862	18.2
189.12711	3.9
193.10092	5.0
195.11639	6.6
196.12486	3.2
197.13196	9.7
199.11145	2.4
199.14807	6.8
201.16396	2.6
207.11635	3.2
209.13216	6.5
211.14796	8.9
213.16330	4.3
221.13129	3.4
223.14804	4.3
225.16365	5.6
234.33659	2.5
234.62395	2.1
235.14873	5.9
237.16260	2.3
239.14497	2.6
239.17841	3.4
249.16431	3.3
253.15862	4.0
253.19490	3.8
280.07645	2.2
281.22507	4.0
291.20978	9.9
309.22079	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.00362	1.9
53.03925	8.7
55.01869	21.9
55.05265	3.2
55.05504	34.8
55.40436	2.2
57.03430	8.3
57.07065	3.4
59.05009	1.7
65.03933	4.5
67.05499	85.2
69.03410	5.8
69.07065	29.5
69.92455	6.4
69.92869	4.2
71.04973	9.1
73.22536	2.0
76.02225	2.4
79.05487	47.2
81.03397	5.0
81.07047	98.4
83.01343	3.5
83.04971	23.8
83.08602	14.6
85.02893	4.3
85.06519	10.2
91.05470	60.9
93.07036	54.7
95.04948	17.7
95.08595	35.5
97.06515	8.9
97.10157	6.5
99.04428	4.8
99.08115	3.1
105.07021	62.1
107.04926	9.5
107.08578	52.9
109.06493	10.9
109.10142	86.8
111.04427	8.6
111.08087	13.3
113.05978	4.4
117.07018	10.5
117.08744	1.8
119.04965	3.0
119.08557	22.0
121.06492	9.9
121.10139	12.9
123.08041	8.8
123.11702	11.3
125.05981	4.1
125.09631	6.6
127.07523	5.0
128.06177	2.5
129.06992	6.1
131.08560	15.4
133.06482	11.1
133.10115	100.0
134.10471	2.2
135.08028	7.6
135.11690	9.4
137.06032	3.6
137.09590	5.5
138.24416	2.1
139.07509	6.2
139.78366	2.3
143.08542	8.2
145.10101	13.9
147.08032	8.5
147.11649	5.5
149.09615	8.6
151.09970	3.8
151.11162	55.5
155.08536	2.9
157.10097	7.1
159.07994	3.6
159.11707	6.0
161.09573	10.1
161.13275	3.8
163.11168	5.0
165.09091	3.5
165.12770	2.6
167.08539	2.8
167.10625	2.5
169.12201	10.0
171.11665	6.3
173.09602	2.4
173.13177	2.8
175.11162	5.4
177.12642	2.8
179.10686	4.8
179.14314	3.0
181.08659	2.9
183.11638	2.3
184.89355	1.9
185.13184	2.5
185.43159	1.9
189.12738	3.4
193.12227	3.0
203.14392	3.9
207.13756	2.8
213.12788	2.2
215.12747	4.2
217.12329	2.7
235.13216	2.9
245.18977	17.0
255.17458	3.1
263.20093	13.0
273.18463	36.6
291.19507	64.3
292.20044	3.0
309.20609	21.9
309.24271	3.2
316.85300	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01868	18.6
55.05495	60.6
57.03428	49.5
57.07066	25.5
59.04966	10.3
60.27348	7.6
67.05489	70.9
69.07057	30.0
71.08652	10.4
71.81686	8.2
73.02911	9.9
79.05482	74.2
81.03378	9.4
81.07045	100.0
83.04964	14.1
83.08601	29.2
85.06506	13.8
91.05464	53.3
93.07050	55.6
95.04956	30.4
95.08597	54.5
97.06551	16.9
97.10151	42.3
105.07029	41.5
107.04943	29.8
107.08621	43.5
109.06503	42.0
109.10143	25.6
113.05965	14.3
117.07001	20.4
119.08557	49.9
121.06463	17.3
121.10121	25.3
123.08066	29.4
125.09611	46.1
131.08540	25.4
133.10089	28.0
135.08032	16.1
137.09608	12.1
143.10680	10.2
145.10107	17.0
147.04327	13.5
147.08028	17.5
147.11693	9.7
149.09579	12.8
157.09988	11.8
159.11661	17.3
161.09633	13.8
163.11186	9.4
165.09149	9.1
173.09694	9.4
183.11729	11.8
184.51282	9.7
189.11220	40.4
191.10640	14.4
201.12645	12.4
217.15909	17.9
219.13728	35.6
225.08762	12.7
235.16812	11.3
245.15404	11.6
249.11159	10.7
273.18503	54.6
274.18555	12.8
277.21777	11.7
291.15930	28.0
291.19550	82.6
309.07465	15.4
309.11212	32.7
309.16959	90.7
309.20392	17.7
310.17212	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03922	8.6
55.01861	21.8
55.05508	69.8
57.03430	50.5
59.04976	6.5
65.34268	4.5
67.05498	59.3
69.03437	5.7
69.07059	23.7
69.78871	30.7
79.05486	76.5
80.06315	4.4
81.03414	6.4
81.07050	92.6
83.04968	7.5
83.08609	28.7
85.06522	12.0
91.05470	57.3
93.07048	52.6
95.04949	29.0
95.08595	35.5
97.06488	9.5
97.10151	34.2
99.08076	10.7
105.07013	37.9
107.04941	42.0
107.08572	36.8
109.06498	33.5
109.10146	16.6
117.07021	31.8
119.08578	69.0
121.06471	14.2
121.10110	13.3
123.08059	19.1
123.11724	6.5
125.09628	33.2
129.06981	13.4
131.08534	30.7
133.06470	11.8
133.10107	18.1
135.08029	16.8
137.09586	8.5
143.08543	14.2
145.10117	32.4
147.04376	4.8
147.08038	31.7
147.11708	5.7
149.09621	10.8
153.09122	7.0
157.10085	7.9
159.11681	11.2
161.09576	13.5
163.11130	6.2
165.12743	5.8
171.11644	6.6
173.13301	7.8
175.11128	5.9
182.15259	5.8
185.13254	5.5
189.11162	19.4
189.12697	5.9
199.11011	5.6
199.14755	7.4
201.12756	6.3
210.14870	8.2
217.15891	9.0
219.13766	15.8
223.13332	4.9
227.17641	5.4
231.17406	5.6
237.14706	5.6
249.06866	6.8
249.14799	14.3
255.17416	11.2
273.18423	61.2
278.05612	5.4
291.19498	100.0
309.11124	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	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01873	3.2
55.05503	6.3
57.03428	33.5
57.07050	2.4
62.73211	2.0
65.03934	3.0
67.05500	28.0
69.07054	4.1
69.37870	16.5
71.04984	3.7
77.32207	2.3
79.05491	18.7
81.07038	14.4
81.14800	2.1
83.08591	2.4
85.06530	30.0
91.05470	16.6
93.07027	14.2
95.04961	35.1
95.08572	6.5
105.07027	10.8
107.04944	3.7
107.08614	12.7
109.06506	34.0
109.10093	3.1
111.08054	2.4
113.05991	100.0
117.06998	7.4
119.08560	7.1
121.06526	1.9
121.10099	4.9
129.06952	2.2
131.08539	8.5
133.10107	5.2
135.08035	27.0
135.11676	4.6
143.08501	4.0
145.10103	4.6
147.08060	3.3
149.09564	3.3
157.10083	2.4
159.11716	3.6
161.09564	3.4
173.13188	3.3
175.11148	3.6
177.12662	2.5
206.41327	2.1
217.15823	13.0
263.19867	2.1
273.18469	14.2
291.19522	42.2
292.19830	3.0
309.20486	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	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24950	0.2
53.03930	0.3
55.01859	0.6
55.05505	0.3
56.96556	0.4
57.03415	0.3
65.03932	0.6
67.05478	0.5
69.03422	0.6
69.07036	0.2
70.06583	0.5
70.49139	0.3
70.49508	0.5
71.01351	0.3
71.04979	0.9
72.08159	0.2
73.02895	0.5
79.05481	0.4
81.03403	0.8
81.07037	0.4
83.04992	0.3
84.04514	0.2
84.08139	0.4
85.02903	0.4
86.09700	0.4
91.05472	9.6
92.05818	0.2
95.04955	0.5
97.02872	1.0
99.04444	2.6
105.06997	0.2
107.04942	1.0
107.08533	0.3
109.02844	0.4
111.04427	0.4
113.00620	0.2
117.03393	0.3
119.04929	23.1
119.08567	0.3
120.05201	0.5
120.08089	0.5
121.04790	0.2
123.04404	1.0
127.03901	1.3
127.28653	0.2
129.10197	0.3
133.10123	0.2
135.04417	0.4
136.07584	0.3
138.09169	0.3
139.03893	3.0
140.04181	0.2
145.02829	0.6
145.04933	0.3
147.04391	100.0
148.04730	1.7
153.01753	0.4
155.03383	0.2
163.03873	0.4
165.05457	7.9
166.05731	0.2
177.05453	1.5
184.00426	0.3
197.01193	0.6
205.04996	0.3
291.08728	0.4
309.06210	0.3
309.09717	4.1
309.59689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1692
Annotation	Naematolin
Peak:m/z	Relative Intensity
53.03932	3.8
53.98197	2.1
54.32673	2.3
55.05494	7.6
57.03426	7.3
59.04965	2.2
60.71207	2.3
67.05506	12.1
69.03411	3.2
69.07060	8.6
71.04976	4.2
71.52384	4.2
78.88499	2.3
79.05482	12.2
81.03423	3.5
81.07056	24.7
83.01306	2.7
83.04960	3.4
83.08618	3.9
88.57700	2.6
91.05468	12.7
93.07016	13.1
95.04980	5.7
95.08600	17.3
97.06521	4.6
97.10146	4.4
105.07005	12.2
107.08601	12.7
109.06524	4.4
109.10159	8.3
111.08068	5.5
119.04978	3.6
119.08572	9.3
121.06473	5.1
121.10136	6.5
123.08115	4.0
123.11678	6.3
129.06993	4.6
131.08554	24.0
133.10103	9.8
135.08057	7.8
135.11674	3.9
137.13252	2.7
143.08580	9.8
145.10110	14.8
147.04413	10.8
147.08000	4.0
147.11649	6.8
157.10126	19.1
159.08043	31.6
159.11697	13.8
161.09535	3.7
165.16473	2.5
173.09636	2.9
175.11208	12.2
175.14862	3.2
177.12723	2.8
185.13235	16.6
187.11162	2.4
187.14777	14.8
203.14293	5.4
213.12750	37.6
219.13736	5.2
231.13777	64.3
249.09309	3.5
249.14856	100.0
250.15144	3.8
291.19681	3.5
309.11166	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Allamandin
Peak:m/z	Relative Intensity
55.01863	0.4
55.05505	1.1
63.37495	0.4
67.01857	0.6
67.05488	1.7
69.03414	1.0
69.07069	0.4
70.06568	0.6
70.98498	0.8
70.98840	0.6
71.04977	0.9
71.08636	0.7
72.24537	0.3
79.05473	1.3
81.03397	0.8
81.07041	1.4
83.04971	1.1
84.08117	1.3
85.06535	0.9
86.09704	0.9
88.81836	0.4
91.05505	1.9
95.04962	0.4
95.08574	0.4
97.02859	0.5
99.08105	2.3
99.08733	0.3
102.58905	0.4
105.07024	0.5
107.04962	1.0
107.08587	0.4
108.05734	0.5
108.62973	0.4
109.02879	0.8
109.06530	1.5
117.03421	0.4
117.06924	0.4
118.86611	0.3
119.04934	2.6
120.08140	0.6
121.06437	0.8
121.10076	0.4
123.04425	0.5
129.06984	0.9
137.05965	3.1
145.02866	0.7
145.10065	0.4
146.03619	0.4
147.04411	8.2
149.02289	0.8
150.03096	0.5
151.07481	0.4
153.12730	1.1
157.06490	0.6
163.03857	1.4
164.14339	0.5
165.05498	1.2
165.12727	1.0
170.47986	0.4
175.03897	1.2
177.01845	1.5
177.05472	1.1
178.02580	2.2
179.03400	4.4
185.05975	0.5
187.03929	0.4
191.03426	1.1
192.04088	1.2
193.04918	1.8
205.01241	0.9
205.04994	0.9
206.02069	4.6
207.02875	6.0
207.99945	1.9
208.03729	0.4
209.04518	0.5
210.01598	0.4
213.05469	1.0
217.01282	0.6
220.03699	0.5
220.07306	0.6
221.04410	0.9
222.01630	4.1
223.02338	3.0
233.04443	6.0
237.03931	20.6
238.04254	1.2
259.05978	1.8
261.03848	0.4
277.07022	13.1
277.09918	0.8
291.08603	3.8
291.11737	0.5
291.20593	0.9
294.07312	1.9
309.09662	100.0
310.06967	0.7
310.10135	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	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.11357	0.2
55.01854	0.8
55.05494	0.4
57.03421	0.3
58.39642	0.2
60.76143	0.2
65.03918	0.7
67.05486	0.6
67.17648	0.2
69.03407	0.8
70.06588	0.5
71.04998	1.4
71.52956	0.3
73.02911	0.4
79.05476	0.5
81.03401	0.9
81.07030	0.6
85.02893	0.9
91.05468	9.3
93.07031	0.4
95.04966	0.6
97.02870	1.3
99.04446	3.5
105.07014	0.5
107.04940	0.6
107.08598	0.3
109.02835	0.4
111.87325	0.3
114.07040	0.2
117.03419	0.3
117.07073	0.2
119.04925	23.3
119.08508	0.4
120.08058	0.3
121.10180	0.3
123.04405	0.5
127.03903	1.4
129.07024	0.4
129.10225	0.4
131.08574	0.3
139.03793	0.3
145.02826	0.5
145.04918	0.7
145.10072	0.5
147.04387	100.0
148.04713	1.6
165.05453	7.5
177.05426	0.7
193.04861	0.3
197.36845	0.2
214.73701	0.3
228.10020	0.2
237.03897	0.6
291.08499	0.5
309.09619	5.6
309.16815	0.4
324.47931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03937	3.8
55.01856	6.0
55.05506	27.0
57.03429	2.7
57.07064	14.4
59.04992	3.0
67.05499	28.1
69.03416	8.4
69.07060	57.5
69.70686	3.6
69.71101	9.7
70.06577	6.5
71.04994	10.2
71.08615	4.5
72.08154	2.3
76.02231	9.7
79.05490	22.8
81.03412	5.9
81.07047	100.0
83.04971	8.6
83.08622	16.8
84.04490	4.4
85.06539	4.1
86.09693	3.0
88.07616	3.7
89.07952	2.2
91.05467	15.6
93.07031	48.4
93.91243	1.7
95.04964	17.2
95.08596	70.6
97.06517	13.4
97.10160	8.0
98.20769	4.0
99.04527	2.7
102.09169	2.2
103.05458	2.2
105.07017	23.2
107.08579	36.4
109.02911	2.5
109.06506	9.4
109.10151	44.4
111.04449	2.8
111.08077	16.8
111.11707	6.9
116.01682	2.1
117.06995	4.8
119.08569	18.2
121.06478	4.8
121.10128	29.4
123.04465	2.4
123.08055	5.5
123.11702	29.5
125.05994	2.8
125.09632	4.0
130.05026	3.3
131.08575	5.5
132.10115	2.1
133.10048	13.3
134.06020	1.7
135.04399	3.4
135.08026	5.6
135.11664	15.6
136.53812	1.9
137.09634	4.1
137.13235	12.5
139.03879	22.6
139.11163	7.2
143.08565	2.8
143.96935	1.9
145.10107	5.3
146.11647	2.8
147.11752	7.2
149.09520	2.1
149.13252	12.6
151.11174	14.1
151.14781	2.5
153.12704	3.7
157.10033	2.6
159.08112	1.9
159.11714	6.2
160.70149	1.8
161.13240	7.3
162.02255	3.3
163.03972	4.7
163.11172	4.1
163.14807	1.9
164.07016	2.5
165.12758	6.5
167.14261	4.5
169.12186	2.5
173.13240	3.7
175.11270	2.0
175.14784	2.8
177.12717	1.9
177.16364	3.9
179.04845	4.4
181.04982	2.3
189.16255	2.3
191.17915	2.5
192.13843	5.4
201.16374	2.1
201.20425	8.0
209.18987	2.3
215.17982	2.0
237.03954	3.2
245.23024	17.0
271.23956	3.0
279.10229	2.3
279.95798	2.0
289.16705	2.5
289.22333	2.7
289.25262	14.5
290.14502	5.1
290.76868	1.8
307.08270	8.8
307.14957	3.5
307.18011	3.3
307.26535	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2216
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.10307	0.3
55.01886	0.4
55.05506	0.5
57.03431	0.3
57.07055	0.8
57.84011	0.3
65.39271	0.3
67.05506	1.5
69.03452	0.3
69.07055	1.4
71.08618	1.1
71.52413	0.4
74.34653	0.3
76.02248	0.3
76.13368	0.3
79.05489	1.4
81.07052	2.4
85.06580	0.4
85.10098	0.3
91.05449	1.3
93.07037	1.2
94.04182	2.6
95.04986	0.4
95.08609	2.0
99.08073	0.3
103.73035	0.3
105.07013	0.7
107.04978	0.5
107.08578	0.9
109.06498	1.3
109.10139	0.7
119.08553	0.5
121.10108	0.5
122.03639	6.9
123.02364	0.3
123.08038	0.5
135.11673	0.4
137.05962	100.0
137.13277	0.5
138.06288	1.8
151.07483	0.3
153.12680	0.3
155.14215	0.5
165.12733	1.0
168.40955	0.3
172.17021	1.4
184.16963	1.9
224.89127	0.3
291.23141	3.1
293.07495	0.4
308.22424	0.4
308.25885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.01866	27.4
55.05501	31.4
57.03442	4.3
57.07089	5.4
59.38958	3.5
65.03934	5.4
67.05500	44.1
69.03413	5.7
69.07056	22.6
70.67768	7.1
70.68164	6.6
71.04999	3.6
76.02198	3.4
79.05489	54.2
81.03385	4.2
81.07047	51.4
83.04962	8.4
83.08607	11.7
84.04522	3.9
91.05466	39.1
93.07033	45.8
94.04182	4.1
95.04949	17.3
95.08598	33.3
97.06523	33.5
97.10149	14.0
97.96037	3.1
98.42443	3.0
98.53614	3.7
103.05445	4.6
104.16398	3.4
105.07017	53.8
107.04929	21.8
107.08582	69.7
109.06516	12.2
109.10133	18.1
111.04452	3.2
111.19117	3.6
114.40147	3.2
117.07007	11.0
119.08566	27.8
121.02829	7.9
121.06500	14.8
121.10126	25.7
123.08050	10.8
123.11672	4.6
125.08784	3.7
125.09619	25.2
127.37786	3.9
128.06221	3.2
129.07040	5.0
131.08511	22.1
133.06557	3.7
133.10127	27.1
135.04404	13.1
135.08023	10.4
135.11693	15.1
137.05959	42.3
137.09535	6.7
138.06274	29.6
139.03888	44.4
139.07457	3.8
143.08557	8.4
145.10086	21.2
147.11626	18.1
149.09607	30.1
149.13248	5.2
151.11189	8.2
155.08569	5.1
157.10115	9.7
159.08008	5.8
159.11678	16.2
161.13301	5.8
163.11124	12.4
165.09126	5.3
165.12758	4.3
169.10129	5.8
171.11765	5.3
173.13232	14.7
179.04823	3.8
181.10043	3.2
183.11591	3.8
185.13213	7.1
187.11162	5.0
187.14667	5.8
193.10069	4.3
195.11678	4.8
197.13245	3.4
203.12767	10.5
233.18961	4.9
239.17924	6.6
247.20616	9.6
257.18994	14.8
275.16968	5.1
275.20041	100.0
276.20398	7.9
307.09882	3.9
307.15790	5.5
307.22556	20.2
313.99756	3.7
319.60550	3.8
325.16623	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	2.4
55.01862	6.4
55.05502	18.0
57.03414	3.6
59.04989	4.8
65.03918	2.9
67.05500	28.6
67.50340	2.2
69.03391	3.2
69.07063	14.9
71.04997	10.2
71.53181	3.2
73.06543	4.8
76.02201	3.9
79.05083	2.4
79.05492	27.0
81.03415	2.3
81.07053	31.5
83.04960	5.9
83.08612	8.0
84.04507	2.9
85.06535	5.3
91.05466	37.7
93.07040	32.2
94.04263	2.3
95.04950	8.6
95.08589	24.4
97.06520	12.5
97.10156	4.8
103.05431	3.3
105.07021	43.0
106.07428	2.1
107.04958	5.4
107.08575	21.1
109.06525	19.2
109.10130	13.6
111.08044	6.1
117.06993	13.1
119.08572	33.6
121.02855	19.9
121.06480	11.4
121.10147	15.2
123.08056	17.5
123.11735	5.0
125.09612	4.2
128.83733	2.4
129.07047	3.2
131.08548	16.4
133.10123	22.0
135.08054	8.3
135.11711	6.8
137.09604	11.4
139.03857	13.2
140.66928	2.1
143.08565	4.3
145.10129	16.1
147.08044	2.7
147.11681	19.2
149.09604	8.9
151.11171	20.2
155.08516	3.1
157.06448	3.7
157.10065	4.3
159.08011	4.3
159.11607	10.4
161.13245	5.5
162.77148	2.3
163.11148	10.5
163.14722	3.1
165.12776	10.3
169.10098	3.5
171.11671	4.1
173.13219	4.1
175.14899	2.7
177.12733	5.4
179.10674	2.6
179.14284	2.5
183.11603	2.8
187.11188	2.4
197.13293	3.0
213.05492	6.1
221.05943	2.5
229.19539	6.6
233.15385	4.6
239.17934	8.1
247.20541	5.9
249.18529	3.1
257.19052	9.6
275.20056	45.3
285.08038	2.1
289.18082	5.3
289.21735	2.7
307.09793	13.6
307.19412	4.7
307.22672	100.0
308.09991	2.4
308.23065	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13462	7.7
55.01847	12.8
55.05508	42.5
57.03416	9.5
58.09378	8.6
59.53637	7.4
64.10668	8.4
67.05502	79.8
69.07047	26.2
71.53063	15.0
74.03384	9.6
74.47876	10.4
79.05496	44.2
79.64171	8.9
81.03403	12.1
81.07050	93.7
83.04965	29.9
83.08601	20.9
91.05475	71.0
93.07032	71.2
95.04945	19.1
95.08599	47.0
97.10140	10.2
105.07010	41.5
107.04912	13.6
107.08576	36.0
109.06468	12.8
109.10120	36.1
111.08042	10.5
117.07019	15.6
119.08537	45.9
121.10124	19.9
123.08047	19.3
128.68527	8.4
131.08545	22.8
133.10115	46.4
135.11699	14.5
137.09605	16.8
145.10095	26.8
147.11652	20.8
149.09613	19.4
151.11145	11.5
159.11690	18.8
161.13272	9.6
163.11160	15.8
173.13304	14.7
215.82077	8.3
225.36580	8.0
247.20485	19.7
257.18842	11.9
275.20068	100.0
307.22534	27.3
307.28101	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01862	16.8
55.05507	35.2
57.03419	2.9
57.07064	2.2
62.01141	2.1
65.03919	3.1
67.05496	37.5
68.27676	1.9
69.03424	6.2
69.07065	17.8
70.56074	4.2
70.56480	6.0
71.04966	3.0
79.05491	56.1
81.03405	4.4
81.07048	51.5
83.04977	6.6
83.08627	16.7
85.06529	5.3
91.05471	35.3
92.98804	2.1
93.07037	36.0
95.04975	9.6
95.08607	23.1
97.06531	22.4
97.10159	24.6
98.21445	2.2
101.06139	2.2
105.07023	39.7
107.04948	16.4
107.08582	100.0
109.06522	14.2
109.10161	16.2
111.08043	4.4
117.07015	9.9
119.08566	22.7
121.02875	4.9
121.06477	4.2
121.10126	16.4
123.08078	3.5
123.11693	3.9
125.09631	31.8
129.06979	4.8
131.08533	14.7
133.06477	2.7
133.10126	21.7
135.08038	12.7
135.11710	6.5
137.05962	9.9
137.09570	2.1
138.06303	6.0
139.03879	18.7
143.08582	2.9
145.06448	2.9
145.10115	18.6
147.11668	17.4
149.09593	29.2
149.13223	2.8
151.03969	2.9
151.11188	4.2
153.09119	4.8
155.08531	2.6
157.10077	3.2
157.12241	3.3
159.11687	12.2
161.13277	6.4
163.03893	2.4
163.11165	6.7
165.09180	4.0
171.11711	5.2
173.11784	2.3
173.13213	5.8
175.64404	2.2
177.12802	3.2
181.12234	2.8
183.11743	3.4
185.13220	2.5
187.11232	3.1
197.13263	3.6
203.12758	21.6
219.17464	3.2
229.19524	3.6
239.17896	4.8
247.20572	8.5
248.15707	2.1
257.18988	14.6
275.20038	82.6
289.21649	10.4
307.22827	14.5
307.26059	3.8
310.48685	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	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	5.2
55.01870	10.8
55.05504	22.7
55.86755	2.5
57.03422	7.1
57.07076	3.2
65.03940	4.2
67.05499	55.7
69.03425	4.9
69.07064	23.5
69.47462	5.1
69.47873	14.5
71.04979	4.7
77.69336	2.3
79.05481	50.8
81.03420	7.3
81.07048	85.1
81.07530	4.2
83.04974	10.6
83.08633	13.0
85.06544	6.7
91.05470	45.0
93.07035	44.7
95.04955	27.3
95.08598	46.5
97.06522	13.1
97.10169	3.5
99.08118	2.3
105.07021	49.0
107.04964	11.2
107.08579	30.9
109.06512	18.4
109.10152	29.1
111.08088	6.3
113.67604	2.0
117.07005	11.6
119.08575	46.3
121.06467	4.9
121.10142	25.2
123.08049	15.4
123.11704	9.6
125.09648	7.9
129.07030	5.3
131.08553	18.0
133.10115	39.9
135.08057	8.9
135.11684	10.1
137.05988	3.0
137.09634	13.3
137.13254	2.5
143.08531	4.3
145.10112	20.2
147.11673	19.6
149.09587	15.0
149.13197	5.7
151.07445	2.3
151.11195	16.5
155.08484	2.2
157.10121	4.1
159.11690	14.6
161.13242	5.5
163.11185	10.3
165.12759	6.5
171.11655	4.9
173.09601	3.0
173.13271	10.3
175.11172	3.4
177.12711	5.2
183.11665	3.7
185.13283	2.7
187.14812	3.5
201.12619	2.4
207.13808	2.8
215.18077	3.3
229.19490	5.5
233.15288	3.8
239.18018	7.5
247.20497	12.4
248.21233	2.4
257.18948	14.0
275.20050	100.0
276.20471	3.8
289.21573	7.0
307.22632	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.11670	1.0
53.14125	0.9
55.01863	6.7
55.05509	18.2
56.05839	2.1
57.03427	3.8
57.07066	1.6
59.05011	1.3
59.71788	0.9
65.03915	1.5
67.05499	35.7
68.05833	1.6
69.03421	2.2
69.07062	18.8
70.07401	1.7
70.10039	2.5
70.10427	2.5
71.04965	3.0
76.02208	1.1
79.05487	23.3
81.03400	4.2
81.06592	2.2
81.07053	37.7
81.21675	1.0
81.38144	1.1
82.07380	2.6
83.04959	3.4
83.08615	9.4
85.05282	2.5
85.06524	1.9
87.37978	1.0
91.05471	19.8
93.07036	22.0
94.07370	1.2
95.04961	17.4
95.08601	23.9
96.08936	2.1
97.06516	4.9
97.10157	4.4
98.06039	10.2
99.06379	4.1
103.05449	1.1
105.07030	22.3
107.04968	5.4
107.08581	18.4
109.06506	9.0
109.10152	11.6
111.08072	3.0
112.07599	1.2
117.06992	5.0
119.08571	19.6
121.02859	2.5
121.06492	2.9
121.10122	9.8
123.08056	8.2
123.11700	4.9
125.09603	2.2
129.06979	2.1
131.08577	10.4
133.06470	1.8
133.10114	12.1
135.08046	4.1
135.11676	4.1
137.05952	4.0
137.09596	5.0
138.06293	1.8
139.03905	2.7
143.08557	3.1
145.10107	9.5
147.08064	1.8
147.11653	10.1
149.09592	5.3
149.13187	1.5
151.11148	3.8
155.01016	1.1
155.76906	1.2
157.10129	2.3
159.11664	8.5
161.09621	1.0
161.13242	3.0
162.99049	1.3
163.11171	4.0
165.09027	1.4
165.12782	3.2
169.10103	1.3
171.11711	2.8
173.13271	5.9
175.11179	1.8
177.12761	2.6
183.11682	2.0
185.13298	1.8
187.14867	1.1
197.13275	1.1
201.12733	2.5
203.14336	1.2
205.15997	1.1
215.17984	1.2
219.13835	1.2
219.17467	5.9
229.19460	2.8
239.18001	2.5
247.20587	4.4
257.19037	6.7
275.20065	41.2
276.20306	2.3
289.21658	5.3
307.23035	14.5
307.28226	100.0
308.22375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2053
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.88828	3.4
55.05500	10.4
57.03425	6.6
65.03942	3.8
67.05505	20.4
68.57691	3.7
69.03423	5.1
69.07070	17.3
69.75082	7.0
69.75494	17.1
71.04958	4.3
79.05506	18.6
81.07050	28.9
83.04971	5.6
83.08634	3.5
91.05466	27.4
93.07022	21.1
95.04974	26.5
95.08592	16.0
97.06512	17.8
101.57896	3.3
105.07034	44.9
107.04945	5.1
107.08576	12.1
109.06504	9.1
109.10149	8.9
117.07008	16.7
119.08571	39.4
121.02837	6.7
121.06501	9.5
121.10138	8.6
128.06186	12.9
129.06978	13.0
130.07782	5.3
131.08530	26.7
133.10118	56.3
135.08092	5.0
139.03883	14.8
141.07013	10.0
142.07761	14.3
143.08562	40.0
145.06451	4.2
145.10078	21.9
147.08011	7.7
147.11671	10.2
149.09642	5.6
152.26541	3.7
154.07726	7.1
155.08554	6.9
156.09393	7.7
157.10144	24.9
158.10925	6.4
159.11623	18.7
161.09624	10.0
165.06918	7.2
167.08519	17.7
169.10083	25.8
170.10892	3.8
171.11700	13.5
173.13219	11.5
179.08597	8.9
180.09326	7.0
181.10143	17.3
182.10889	14.0
183.11638	14.5
185.13231	5.6
187.11230	4.8
192.09380	8.1
193.10135	15.4
194.10983	8.3
195.11705	15.5
196.12416	5.6
197.13237	11.2
205.10085	6.0
206.10901	15.2
207.11662	19.4
208.12392	6.8
209.13197	19.2
211.14796	16.2
217.10133	5.8
219.11574	4.3
220.12486	7.8
221.13164	25.6
222.13808	6.5
223.14745	14.8
231.11552	5.8
232.12657	5.8
233.13290	20.1
233.15302	4.2
234.13962	6.0
235.14832	9.5
237.12680	4.6
237.16360	9.6
246.13875	6.5
247.14865	5.9
248.15575	6.0
249.16328	9.8
251.14369	10.2
251.17899	6.7
259.14676	9.4
260.15649	4.0
261.16315	6.1
263.17911	19.4
274.17041	8.4
279.21161	5.6
289.19611	26.0
307.09494	8.7
307.20502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01862	14.8
55.05502	61.2
57.03431	46.9
64.99242	7.0
67.05497	55.0
67.14731	7.0
69.03410	6.9
69.07060	18.9
69.40160	12.4
69.40565	46.4
74.00637	4.8
79.05481	56.3
81.07055	50.3
83.04977	13.2
83.08613	25.4
83.16761	5.5
91.05456	32.5
93.07025	33.8
93.07547	7.1
95.04950	19.0
95.08597	26.6
97.06517	9.5
97.10152	36.3
98.21580	11.7
105.07008	28.2
107.04957	38.6
107.08562	40.8
109.06518	8.9
109.10083	11.4
111.08046	7.0
115.05505	5.8
117.07001	24.6
119.08569	24.7
121.02864	15.2
121.06509	11.0
121.10136	8.2
125.09625	44.4
129.07018	11.8
131.08543	18.3
133.10109	17.4
135.08012	29.0
137.09599	11.4
139.03905	27.0
141.06955	9.4
143.08522	7.8
145.10101	18.7
147.11630	7.6
149.09560	7.3
151.07486	8.5
153.09132	8.5
158.60541	6.6
159.08032	54.0
159.11691	13.0
163.07486	13.3
169.10112	13.8
171.11642	7.5
173.09756	8.2
173.13339	9.1
181.18338	5.8
183.11691	10.9
185.09579	7.9
187.14877	12.9
189.11224	18.6
201.16655	6.2
215.14278	13.6
225.16344	6.2
233.15237	29.7
236.08308	6.5
264.07626	8.3
271.16837	42.2
289.17920	100.0
292.07141	9.1
307.09573	13.2
307.20401	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	307.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30278	0.9
53.03936	1.5
56.96576	1.0
67.01849	2.1
68.99776	2.8
69.67859	1.0
70.15855	2.8
70.16267	2.2
70.16714	0.9
72.08117	1.4
76.02229	1.6
77.39024	1.1
81.03384	1.3
81.71271	1.0
87.00816	2.0
89.91528	1.0
91.05469	2.0
94.06538	1.8
95.04952	1.4
95.28746	1.0
98.21410	1.5
109.02813	1.5
111.04456	1.3
119.04948	6.1
120.08044	1.2
123.04412	29.2
127.03909	2.0
130.06506	99.6
131.06808	3.2
131.84464	1.0
132.04425	24.9
135.04358	2.0
137.02306	2.6
139.03877	34.7
140.78616	1.1
145.02846	3.6
146.05940	7.1
147.04388	16.5
151.03893	2.2
155.03363	47.3
156.03699	3.7
157.06599	1.1
157.07582	80.7
158.05989	100.0
159.06322	3.2
161.05984	1.1
163.03848	7.7
165.05447	7.2
173.07045	6.3
175.08644	48.4
177.05409	7.2
181.04945	1.1
197.07103	2.6
199.08635	2.1
201.06543	4.6
203.08061	3.3
221.09218	4.2
243.07684	9.8
245.09250	2.0
247.07150	2.3
261.08676	34.5
271.06967	3.2
289.08112	7.3
307.08548	2.1
307.17371	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1538
Annotation	Phomadecalin B
Peak:m/z	Relative Intensity
53.03951	1.8
55.01870	2.3
55.05504	13.1
57.03428	4.0
57.07060	2.9
65.03918	2.6
67.05499	11.9
69.03419	3.5
69.07069	20.4
70.91040	4.8
71.04983	4.8
76.02225	4.0
79.05499	12.8
81.03411	1.7
81.07051	44.6
83.04964	3.0
83.08615	7.3
91.05472	12.4
93.06476	2.3
93.07035	17.6
95.04946	9.1
95.08064	2.8
95.08607	29.2
97.06515	5.0
97.10173	2.2
103.05476	1.9
103.06921	2.4
105.07039	22.5
107.04945	5.2
107.08585	47.5
109.06507	7.6
109.10165	12.2
111.08084	3.9
115.05467	3.7
117.07005	20.7
119.08579	14.8
121.06503	8.4
121.10115	9.2
123.04439	6.6
123.08036	4.8
123.11703	8.5
125.09612	2.9
129.07005	2.6
131.04971	2.0
131.08575	15.5
133.10112	6.3
135.08058	3.2
135.11682	5.7
137.06009	2.3
137.09621	2.6
137.13214	2.5
139.03886	25.6
143.08540	5.7
145.06418	11.4
145.10127	23.1
147.04413	2.0
147.07973	3.4
147.11765	2.8
149.05986	3.7
149.09593	2.6
149.13248	2.7
153.05478	3.7
155.08536	4.0
159.08066	10.7
159.11658	12.8
161.09529	2.3
161.13307	10.2
163.03885	2.9
163.11143	2.6
165.12724	2.2
167.07045	1.9
168.09354	4.0
173.05940	3.9
173.09624	4.1
173.13269	16.7
177.05519	5.5
179.07056	1.8
183.11674	9.6
185.09605	3.2
187.07547	1.9
187.11174	6.1
191.06999	26.9
192.07748	4.0
201.09102	4.0
201.12708	13.7
205.08580	5.7
211.11209	3.5
219.10220	8.5
229.12228	40.5
243.31679	1.8
247.13286	100.0
248.13628	4.6
261.07349	1.8
271.16861	4.0
289.14633	1.9
289.17947	9.1
289.20901	1.9
289.25311	3.6
307.15469	33.2
307.19016	4.6
307.26309	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	307.1649
Annotation	Antibiotic KO 7888C
Peak:m/z	Relative Intensity
53.07545	2.2
55.01859	5.9
55.05503	15.0
57.03161	2.8
57.03426	31.2
57.47728	2.1
58.68417	2.2
65.03914	3.0
67.05492	12.8
69.03395	4.2
69.07067	13.7
71.04984	3.4
71.06448	5.3
72.08132	2.7
76.02208	4.2
79.05475	11.6
80.05006	3.5
81.03392	5.5
81.07036	20.6
82.06562	3.7
83.04950	5.5
83.08605	4.7
91.05470	18.9
93.07040	18.9
94.06554	13.1
95.04946	8.7
95.08590	20.1
97.06517	7.4
99.00812	4.0
105.06998	13.1
106.06526	5.7
107.04906	8.7
107.08566	12.5
109.06499	7.0
109.10143	12.6
111.05584	2.4
111.08072	6.9
117.06974	7.2
118.06527	9.8
119.08550	14.4
120.08079	10.3
121.06467	7.6
121.10139	11.6
123.07999	4.3
123.11700	5.2
129.06979	4.2
131.07303	3.9
131.08521	7.5
132.08104	15.4
133.06451	2.8
133.10109	8.8
134.05994	6.5
134.09630	19.4
135.08127	5.4
135.11641	5.2
136.11194	20.7
137.05984	2.9
137.13193	2.9
138.05443	4.5
138.09085	3.0
139.03905	24.1
143.08514	5.1
144.08075	5.5
145.08824	7.1
145.10049	5.4
146.05965	10.8
146.09604	22.9
147.06781	4.6
147.07944	4.1
147.10480	2.9
147.11670	5.4
148.07515	6.9
148.11172	18.3
149.13257	2.7
150.09135	8.0
151.07515	2.6
151.11212	2.6
157.10103	2.6
158.09593	4.4
159.08051	4.3
159.10466	4.5
159.11685	5.4
160.07581	5.8
160.11203	12.3
161.13312	3.2
162.05505	3.1
162.09128	7.9
162.12735	7.2
163.03867	4.2
163.11075	3.2
164.07094	3.3
172.07507	16.6
173.08263	4.6
173.09628	3.7
174.09137	7.3
174.12782	7.6
175.11121	4.1
176.10690	6.3
178.08574	3.2
181.04900	2.8
184.11162	2.9
187.09796	3.5
188.10683	55.9
189.45383	2.3
190.08629	6.1
190.12277	3.3
191.13004	9.4
192.06534	17.3
192.10153	7.8
192.13799	46.5
199.16884	2.6
202.12230	32.5
203.12706	2.5
204.10295	3.9
204.13863	6.6
216.10207	7.0
216.13803	7.3
218.15337	4.5
220.09686	9.9
226.12257	2.9
229.12238	5.2
231.29669	2.5
232.12029	2.7
233.12917	13.6
233.15179	3.1
234.11229	22.6
236.09138	18.9
244.13315	59.0
247.13231	5.2
248.09131	30.0
248.11749	2.8
248.12590	2.1
251.13904	16.9
261.15955	28.4
262.14151	5.4
272.12833	9.7
287.05731	2.5
289.15332	11.2
289.18091	8.0
290.10855	4.4
290.13843	71.4
291.14078	2.6
307.16449	100.0
307.19772	5.7
307.26321	6.3
308.16827	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	307.0808
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.78597	0.7
53.03952	1.0
55.01865	1.7
57.83793	0.6
65.03928	0.8
67.01846	4.5
67.05482	2.1
67.05814	0.8
68.99783	7.5
69.03416	1.0
69.07034	0.9
69.21950	0.7
70.06584	1.5
71.52714	1.1
72.08147	1.5
76.02209	0.6
79.05480	1.6
81.03394	2.4
81.07015	1.0
83.04968	1.1
85.02866	0.7
86.09698	1.0
89.03891	0.9
91.05480	5.0
93.07035	0.7
95.04965	4.1
97.02879	1.4
99.04426	0.7
105.03352	0.9
105.07014	1.8
107.04963	1.4
109.02880	2.4
110.07159	1.0
111.04420	1.9
117.06995	1.4
119.04921	11.7
119.08535	0.9
121.06459	0.8
123.04411	57.6
124.04733	1.0
127.03878	2.9
129.06909	0.7
130.06535	0.9
131.04929	1.8
131.08495	0.8
133.06464	0.7
135.04413	2.1
136.07639	0.8
137.02315	5.5
137.05963	1.6
139.03883	54.3
140.04245	1.0
141.06999	1.3
143.08572	0.8
145.02829	1.3
145.06413	0.8
147.04395	33.3
147.11713	0.7
148.04875	0.8
151.03900	2.4
155.03371	100.0
156.03680	3.3
157.03931	0.8
159.04390	1.8
161.05988	1.7
161.09673	1.0
163.03864	5.8
165.05461	18.5
167.03362	1.3
169.05049	0.9
169.06439	0.7
173.05963	1.6
175.03810	0.7
175.11169	1.2
177.05453	8.2
181.04959	2.3
187.03836	1.8
187.14812	0.8
197.06041	1.7
201.05443	1.7
201.12740	0.9
203.03270	0.8
205.04874	0.7
207.06476	0.9
215.06860	0.9
219.06465	0.8
229.04939	1.7
243.06473	2.8
247.05986	1.8
261.07535	0.8
261.12335	1.5
271.06000	3.1
289.07089	4.1
289.11694	3.3
298.54459	0.7
307.07938	3.5
307.12509	3.7
307.17892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29426	8.8
71.04768	6.1
71.51671	14.7
76.78146	7.4
94.93005	9.6
119.01924	20.1
175.00145	18.6
202.89090	53.1
229.99223	8.0
247.03046	8.2
270.52286	7.0
307.04398	14.7
307.07300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0802
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.01855	0.6
56.96547	1.3
65.03926	1.8
67.05491	0.6
68.99773	0.9
69.03420	0.6
69.56625	2.8
69.57034	1.0
72.88374	0.5
73.61162	0.5
76.41766	0.6
83.04945	0.8
84.04499	0.7
85.02896	1.3
95.04946	2.0
97.02859	0.9
98.97590	1.5
101.00875	1.4
107.04935	1.3
109.02872	0.6
111.04432	1.7
115.02391	0.7
116.98564	0.7
117.03418	0.7
119.01867	4.6
121.02851	0.8
123.04405	1.3
125.05292	0.6
127.03877	1.3
131.01921	0.8
131.04878	1.3
133.02759	1.1
135.04376	2.8
137.02960	0.7
139.03885	100.0
140.04196	1.2
143.01884	1.3
145.49234	0.5
149.05905	0.8
151.03883	3.8
153.05479	0.7
155.01941	0.7
159.04398	1.8
161.02971	1.8
163.03879	11.6
168.99834	0.8
169.04929	2.0
173.02983	1.4
177.05429	3.5
181.04939	5.3
187.00874	0.8
195.06538	2.5
205.01939	0.8
215.00377	1.5
223.06024	1.4
245.81557	0.6
247.03032	2.0
274.33026	0.6
289.06964	0.7
307.07877	2.3
307.10580	1.2
326.09106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0808
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
51.93916	0.2
53.00302	0.5
53.03919	0.2
53.78759	0.2
55.01857	0.9
63.57311	0.2
65.03933	1.3
67.05489	0.8
68.99779	1.2
69.29402	0.2
70.97179	0.5
70.97511	0.3
79.05469	0.3
83.04977	0.6
93.03397	0.7
95.04459	0.2
95.04958	1.6
103.05410	0.2
107.04952	1.6
111.04449	1.8
121.02846	1.0
123.04443	1.4
127.03905	0.7
131.04897	1.1
133.02820	1.5
135.04396	3.5
139.03888	100.0
140.04239	1.4
145.02850	0.5
147.04384	0.3
149.05952	0.9
151.03891	3.5
153.01813	0.5
153.05475	0.9
159.04425	3.2
161.58206	0.2
163.03891	10.0
163.05246	0.5
167.07103	0.3
169.04930	1.5
177.05469	3.0
181.04951	5.4
195.06482	2.5
205.04956	0.7
223.06007	1.2
247.06026	0.6
254.51845	0.3
289.07016	0.7
307.08081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
54.70405	0.3
55.01860	0.9
60.12031	0.3
65.03912	1.1
67.05486	0.8
68.99769	1.0
69.39938	0.3
70.78259	0.3
70.78576	0.7
83.04965	0.7
93.03378	1.1
95.04955	1.5
107.04928	1.8
111.04406	1.8
121.02855	1.3
123.04423	1.0
127.03921	0.7
131.04913	1.5
133.02827	1.2
133.38605	0.4
135.04382	3.3
139.03879	100.0
140.04170	1.1
145.02834	0.5
149.05981	0.9
151.03865	3.3
151.62404	0.4
153.01756	0.4
153.05440	1.3
157.07637	0.5
158.05939	0.5
159.04388	2.6
163.03882	9.5
169.04929	1.5
177.05429	3.3
181.04921	4.8
195.06487	2.1
205.04953	0.9
223.06027	0.9
247.06032	0.7
289.06949	0.5
307.08069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2106
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
51.20023	0.5
53.03928	1.5
55.01872	2.8
55.05509	10.3
57.03421	0.8
57.07062	0.6
59.04995	0.9
63.75774	0.6
65.03918	0.6
67.05499	8.6
68.02438	0.5
68.42133	0.5
69.03410	1.7
69.07063	4.2
71.04980	0.9
71.52893	0.7
79.05072	0.9
79.05487	11.7
81.03412	0.8
81.07047	11.3
83.04970	1.2
83.08611	4.6
85.06526	0.5
91.05476	12.0
93.07034	12.7
95.04956	2.8
95.08585	4.4
97.06493	1.1
97.10150	3.7
101.23112	0.5
103.05459	1.4
105.03432	0.5
105.07020	9.9
107.04930	4.5
107.08582	7.3
108.93396	0.6
109.06500	1.3
109.10139	2.3
116.06194	0.8
117.07008	5.0
119.04922	2.0
119.08566	8.7
121.06486	3.5
121.09348	0.5
121.10117	3.2
123.08038	1.1
125.09634	2.8
128.06279	0.7
129.06999	3.1
130.07774	0.9
131.08565	6.2
133.06487	4.1
133.10123	2.3
135.07077	0.6
135.08017	2.8
135.11670	2.3
137.05981	1.1
139.03893	0.6
143.08562	2.3
145.06456	0.7
145.10118	4.8
147.04520	0.6
147.08034	4.4
149.09595	1.4
149.13223	1.2
151.07545	1.3
153.09070	0.7
157.10112	1.5
159.11703	2.1
161.09628	1.7
162.10300	0.6
163.11136	1.2
171.11702	0.8
173.09573	0.6
173.53741	0.5
175.11259	1.3
179.07031	2.6
181.73978	0.5
203.12778	2.1
206.05701	1.3
245.18811	0.6
255.17632	0.6
263.16315	0.8
273.18497	6.4
287.19827	0.9
305.10117	6.6
305.21088	100.0
306.21396	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	306.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62590	0.5
69.07055	1.2
70.81171	0.6
70.81503	0.9
72.83490	0.4
75.01759	0.4
79.05491	0.8
81.07056	0.6
91.05483	0.9
94.04169	2.0
103.83916	0.5
107.08590	0.7
109.10104	0.6
114.09160	0.7
122.03631	6.7
126.09196	0.6
135.11684	1.6
137.05956	100.0
138.06261	0.8
153.12674	1.1
170.15340	2.1
182.15381	2.8
303.49106	0.5
306.20667	1.9
313.66983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83341	4.6
51.97598	3.6
53.03935	7.9
55.01849	10.0
55.05280	3.8
55.05505	54.4
57.03421	13.3
57.07071	3.4
65.03918	5.0
67.05494	59.3
68.81245	4.3
69.03418	6.2
69.07067	33.4
71.05001	4.4
72.42261	4.3
79.05072	6.5
79.05488	84.4
79.08471	3.8
81.07050	96.0
83.04954	7.1
83.08601	21.1
85.06528	13.7
88.07629	5.1
91.05478	100.0
93.07036	85.1
95.04949	13.0
95.08602	59.1
97.06515	12.3
97.10160	13.7
98.20798	9.6
103.05443	4.7
105.07024	89.3
105.42596	4.2
107.04952	11.3
107.08572	58.6
108.69049	3.9
109.06521	20.8
109.10112	13.0
111.08048	5.0
111.11779	5.1
115.05425	10.5
116.06207	5.3
117.07021	49.5
119.08581	43.0
121.06477	16.0
121.10129	32.3
122.03619	4.0
123.08024	8.7
125.09653	9.2
127.03868	8.6
128.06192	12.4
129.07013	30.1
130.07771	13.0
131.08557	92.5
133.06494	11.9
133.10100	32.6
135.04396	6.3
135.08032	15.9
135.11678	17.5
137.05960	69.5
137.09561	4.2
139.11195	9.9
141.07048	9.9
142.07770	4.9
143.08533	81.5
145.10118	90.5
147.08028	21.8
147.11678	15.8
149.09608	17.4
149.13255	7.6
151.07542	10.9
151.23396	4.0
155.08514	8.0
157.10088	28.0
159.08026	9.0
159.11665	27.0
161.09631	23.9
161.13277	9.8
163.03934	3.8
163.11198	6.2
169.10092	13.9
171.11638	21.5
173.09528	7.0
173.13228	9.0
175.03987	5.9
175.11128	10.6
179.03458	5.0
179.07011	32.2
183.11694	14.4
185.13307	9.5
189.12727	5.0
191.03362	11.0
195.11659	16.7
199.11118	5.8
199.14757	5.9
201.12825	5.8
206.05682	11.5
213.12709	6.8
213.16360	5.5
219.84903	4.2
226.90628	4.7
227.17867	10.7
229.04811	5.1
237.16260	11.6
244.07268	9.7
245.18973	8.4
255.17441	14.8
273.18393	49.0
287.20016	7.8
290.07935	8.8
305.10196	80.6
305.21191	22.2
305.31540	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	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10486	1.2
53.03936	4.6
55.01863	12.6
55.05507	16.1
57.03428	7.5
58.06581	5.8
65.03938	6.9
67.05495	66.2
69.03410	3.3
69.07065	10.6
71.04969	2.6
71.13471	3.5
79.05486	38.4
81.03403	4.5
81.07047	50.9
82.07394	1.6
83.04967	4.2
83.08627	2.5
85.06514	4.0
91.05469	48.3
91.06024	2.9
92.05807	7.7
93.06478	2.7
93.07032	32.4
93.07630	1.6
95.04955	100.0
95.08598	17.3
97.06514	5.8
97.10171	2.1
103.05437	1.8
105.07015	26.3
107.04942	17.0
107.08577	20.2
109.02943	1.3
109.06510	56.3
109.10146	4.1
110.31263	1.2
111.08051	3.8
116.06187	1.6
117.07001	13.0
119.08564	14.3
121.06477	14.0
121.10130	7.4
123.08046	4.6
125.09609	2.0
127.03886	2.2
128.06230	3.1
129.06985	9.3
131.08545	18.4
133.06464	5.7
133.10109	12.1
135.04378	2.3
135.06993	2.0
135.08037	33.8
135.11655	7.2
137.05966	9.9
137.09639	2.5
139.03838	1.6
142.07762	2.4
143.08551	9.9
145.06473	2.4
145.10114	13.4
147.08034	11.7
147.11674	6.0
147.32193	1.4
149.09612	8.1
149.13257	3.6
151.07533	3.9
151.11154	3.2
157.10104	8.3
159.11671	6.4
161.09589	13.0
163.07445	2.7
163.11201	4.2
165.09084	1.4
165.12819	1.4
167.07069	1.4
169.10123	2.0
171.11656	4.1
173.13289	4.5
175.11134	3.1
177.03206	2.2
177.12729	4.7
178.06236	2.2
179.07065	10.8
181.10083	1.4
185.13188	3.3
187.11153	2.4
189.12683	1.8
191.03395	3.6
199.14896	6.3
201.12782	2.3
206.05750	4.4
212.23750	1.5
213.23938	2.0
217.15868	12.9
227.17839	1.9
237.16394	2.4
244.07227	1.7
245.18996	5.2
255.17558	4.0
273.18475	33.4
275.05487	2.0
290.07858	3.1
305.10101	29.4
305.17773	2.5
305.21109	23.3
305.26645	3.9
305.30463	19.8
306.10629	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	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01859	1.5
55.05496	1.6
65.03934	2.7
67.01862	2.4
68.99765	7.0
70.06593	2.7
70.92081	3.4
72.08140	1.8
72.20026	1.5
79.05441	2.0
83.52779	1.3
84.08154	3.1
85.02890	4.1
86.09716	4.2
95.04985	2.0
97.02891	2.1
105.03409	2.5
107.04943	3.9
107.08556	1.7
109.02866	3.4
111.00825	2.2
111.04449	1.8
117.06995	1.8
121.02875	12.0
123.04417	33.3
127.03906	20.2
129.06955	2.7
130.06448	2.0
135.04395	6.1
137.02335	3.5
139.03880	12.4
139.05443	1.7
143.10724	1.7
145.06406	2.0
147.04398	6.2
149.02332	69.6
149.09599	1.5
151.03903	6.4
151.07541	3.4
153.01819	31.6
155.03383	3.2
157.06451	7.7
158.06024	2.7
158.65979	1.6
163.03934	5.4
167.03410	4.1
171.02840	2.5
171.04318	1.4
174.13162	1.7
175.03899	3.6
175.07541	2.2
177.05476	2.5
178.06201	1.6
179.03381	7.6
179.07014	18.0
185.05978	10.4
189.05402	2.0
191.03354	7.0
201.05411	2.3
203.03429	10.6
203.07045	3.0
205.05002	1.6
206.05762	5.0
213.05460	17.9
215.03310	1.5
217.05025	1.4
227.03076	1.3
229.04924	2.9
231.06512	60.8
241.04906	14.8
244.07265	3.0
245.04636	1.6
259.06003	100.0
260.06342	1.9
260.98572	1.3
269.04501	3.3
275.05533	3.4
287.05496	33.0
287.10364	1.6
290.07843	3.7
305.05893	14.5
305.10190	33.9
305.15164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
52.90172	0.4
53.00297	2.3
53.03942	0.6
53.50241	0.4
55.01860	1.9
57.03436	0.7
58.80466	0.4
65.03931	4.0
66.70312	0.4
67.01854	0.7
67.05483	1.7
68.99782	3.0
69.03413	0.4
70.06570	0.9
71.04990	0.5
71.15541	1.1
77.03916	0.7
79.05487	1.1
81.03409	0.9
81.07056	0.6
83.01330	1.4
83.04982	0.9
83.66175	0.4
84.08150	0.8
85.02900	1.2
86.09657	0.5
93.03384	0.8
95.04951	1.7
97.02884	1.1
99.04422	0.5
103.05480	0.5
105.03384	1.6
107.04939	0.9
109.02876	1.7
110.07148	0.7
111.00780	1.8
111.04449	3.5
113.02382	0.9
115.05440	0.6
119.04932	0.7
121.02865	3.6
121.06548	0.5
123.04414	12.0
125.02390	0.5
125.09650	0.7
127.03905	5.6
129.01778	0.7
129.06990	0.6
131.04930	1.5
133.02837	10.4
135.04462	2.1
136.07593	0.6
137.02348	0.7
139.03888	100.0
140.04192	1.2
141.01787	0.7
143.10625	0.9
147.04408	3.7
149.02312	2.4
151.03886	10.0
151.07529	2.1
152.04163	0.6
153.01791	2.8
155.03389	5.7
157.02878	0.9
157.06468	1.1
161.02353	3.1
161.05867	0.6
161.82393	0.5
163.03876	2.9
165.01773	0.5
165.05388	1.0
167.03362	1.4
173.05962	0.5
175.03889	3.8
177.05437	1.1
178.06232	1.4
179.03391	15.6
179.07001	7.9
185.05971	1.5
188.07143	0.5
189.05443	1.2
191.03378	2.2
191.07101	1.0
193.04929	0.8
201.05453	1.5
203.03400	6.1
203.06973	0.6
205.04849	0.5
206.05695	2.9
213.05499	2.7
215.03445	0.6
217.04936	1.3
219.06541	0.9
221.04425	1.6
227.03456	0.5
229.05080	1.0
231.06532	2.9
233.04372	0.8
241.04926	2.6
243.06395	1.2
244.07263	1.5
245.04485	1.3
247.05891	0.7
257.04446	1.2
258.05185	0.6
259.06021	5.2
261.03879	1.9
261.07486	1.1
269.04477	2.8
275.05484	2.0
287.05505	6.1
290.07877	2.9
305.06393	13.0
305.10184	19.0
306.06921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05513	11.5
59.22524	1.6
67.05501	23.7
69.07058	12.8
71.05000	2.8
79.05502	9.6
81.07057	20.7
83.08602	6.2
83.95496	2.2
85.06505	1.8
91.05476	10.5
93.07030	21.0
95.04963	3.4
95.08601	100.0
97.10150	7.0
105.07024	15.9
107.08594	36.1
109.06503	2.5
109.10153	27.5
111.40479	1.7
117.07060	3.1
119.08570	29.7
121.06538	2.0
121.10129	33.1
121.10934	3.0
123.08067	2.6
123.11713	7.3
131.08566	7.0
133.10114	25.2
135.11682	19.8
137.09622	3.7
137.13231	4.2
139.07498	2.1
141.09135	3.7
143.08545	2.2
145.10114	12.2
147.11681	19.9
149.13268	10.7
153.01741	2.1
157.10078	1.8
159.11673	14.3
160.59221	1.9
161.13254	22.1
163.14799	11.7
173.13252	14.4
175.14848	5.6
177.12767	1.7
177.16495	1.9
187.11115	1.8
187.14844	14.6
188.15515	1.8
189.12708	2.2
189.16420	4.7
191.10727	1.8
193.12137	2.2
201.16313	9.2
203.17944	18.9
207.13765	7.7
219.13791	2.1
221.15414	2.5
233.15372	6.4
242.31372	1.7
243.20981	9.3
247.16876	4.2
257.22635	20.3
267.20978	3.1
285.22018	13.1
303.04990	13.2
303.19669	2.5
303.23154	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69067	0.8
55.01845	1.2
56.96561	99.1
57.03430	1.3
60.04504	1.3
61.02916	1.0
64.89452	0.8
69.03408	1.8
69.89692	4.1
70.06580	1.6
70.97733	1.7
70.98116	29.0
71.04976	1.9
71.95255	6.9
72.08164	3.9
72.96037	3.3
73.02917	1.5
73.08481	0.8
74.97607	3.2
84.04491	1.2
84.08127	1.7
84.96025	5.7
85.02907	4.1
88.99152	12.5
92.07429	0.8
92.82413	0.8
97.02879	1.8
98.20791	1.0
98.97573	100.0
99.97857	0.8
101.00861	1.0
107.00199	2.9
109.02882	0.9
110.97555	7.3
112.96024	0.8
112.99135	3.5
115.00692	2.0
116.07034	1.3
116.98610	67.4
119.01926	2.8
121.01691	0.8
124.95463	12.3
124.99099	1.7
126.96988	1.2
127.00640	1.5
127.03902	1.8
128.98589	11.9
129.10254	1.9
130.93260	0.9
131.00197	5.2
131.01872	1.7
133.01711	3.8
133.03464	2.1
134.99641	32.1
138.97009	1.2
140.00188	1.5
140.98599	3.5
141.06567	1.5
142.96513	17.1
143.00148	7.3
143.01863	1.2
143.05676	0.9
143.08145	1.8
144.98090	4.1
145.01732	3.2
145.03429	1.0
146.99626	12.5
149.01222	3.5
151.02731	1.2
152.94992	1.2
153.00711	4.3
154.96558	1.7
155.01894	1.0
156.98044	4.1
158.01242	1.1
158.99654	10.2
160.97574	11.0
161.01204	8.0
161.02971	2.5
162.99092	4.1
163.02769	1.3
165.00700	8.2
165.98262	0.8
170.95961	9.1
170.99649	1.4
172.97586	11.8
173.01207	4.3
173.02965	3.0
174.99129	13.1
177.00697	12.3
178.98663	1.9
179.02222	2.1
184.97565	9.7
185.01364	1.0
185.02942	2.0
186.99071	5.2
188.97064	39.5
189.00641	11.5
190.98625	29.4
191.02237	5.2
193.00208	15.6
195.01764	1.4
201.00755	4.4
202.98633	21.9
203.02238	2.6
203.03923	0.9
205.00188	14.1
206.96152	1.2
206.98109	23.0
207.01715	9.9
208.99672	7.2
211.01280	2.4
211.98622	1.1
212.97090	3.0
213.03888	0.8
214.98615	6.9
215.02109	1.0
215.07501	1.4
217.00175	4.9
219.01793	3.6
220.99683	20.7
221.02994	1.0
221.05020	1.2
223.01242	6.3
224.99260	2.1
226.00249	1.1
230.98119	24.7
232.99657	16.5
235.01236	6.1
237.02798	2.6
239.00726	3.5
244.99649	6.0
245.05055	3.6
248.99179	16.2
249.55649	0.8
251.00702	3.1
253.99701	0.9
263.00705	23.2
267.00354	1.1
275.00595	2.3
281.01770	20.5
281.04947	0.6
299.02853	2.8
305.02399	0.9
305.05298	3.9
305.11746	4.5
323.03061	1.4
323.06537	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66718	1.2
55.01862	8.2
55.05494	5.2
55.79165	1.2
56.05023	3.2
56.96310	1.6
56.96563	29.7
57.03427	2.5
58.94217	1.2
60.04522	1.1
61.02914	2.8
61.84631	1.4
65.53625	1.2
68.05017	1.5
69.03412	4.9
69.07051	1.3
69.85466	6.5
70.06596	10.1
71.01344	1.4
71.04989	75.7
72.08149	12.2
73.02897	3.8
74.52579	1.2
79.05471	1.2
81.03406	4.0
82.06556	2.4
84.04478	6.7
84.08132	9.8
84.96009	1.9
85.02890	7.9
86.06058	1.4
86.09679	4.8
88.07583	1.7
92.04994	2.0
94.06510	2.6
95.06058	2.4
97.02864	4.1
97.06519	1.5
98.06048	45.7
98.97578	13.1
99.04451	42.3
100.99117	1.6
101.00858	2.6
110.06054	6.4
110.07142	5.3
110.97532	2.0
111.02894	1.1
111.05566	1.2
111.06801	2.6
111.07462	3.0
112.99116	2.4
114.05508	1.7
115.08643	2.7
116.07089	31.7
116.98596	7.1
117.05486	1.6
117.25420	1.2
118.06493	1.7
119.01859	4.6
120.08056	1.7
123.05494	2.2
124.07574	3.1
125.04704	1.5
125.05961	2.8
126.05474	1.3
127.03863	2.5
128.02350	1.4
128.98543	3.9
129.10193	4.9
131.00136	1.9
131.01892	3.0
133.03467	1.8
134.99628	3.2
136.99106	2.4
138.05444	5.4
138.09100	1.5
140.07022	8.6
140.08139	2.6
141.06555	5.6
142.08601	3.7
143.00153	1.5
143.11758	1.8
145.03424	3.3
146.99637	2.9
148.07501	5.9
152.05891	1.5
152.07042	9.5
154.08653	1.7
155.00130	6.1
155.01869	1.7
156.07698	1.5
157.09734	2.4
158.99591	2.6
161.01129	1.7
162.99196	1.6
163.02657	1.6
163.04385	1.5
164.07048	2.4
165.00761	1.6
166.08727	1.6
170.08109	1.6
170.99597	2.0
173.01192	4.3
173.02832	1.9
174.99147	1.5
176.07021	14.2
177.00688	3.0
178.04907	3.9
178.08609	3.2
180.98045	2.1
186.11102	1.4
188.09167	13.1
189.00722	1.7
190.08575	5.5
190.98680	1.5
193.00151	1.8
194.08195	1.7
198.99054	2.2
203.13890	2.3
204.06654	1.4
205.00204	1.7
208.09760	2.1
208.26630	1.6
217.00191	2.0
218.08224	8.6
219.01677	2.7
222.07547	3.6
235.08542	2.5
235.10730	19.3
237.02756	2.3
238.10683	4.3
250.10672	11.1
271.14728	1.6
272.06201	2.7
279.00168	3.9
285.14319	5.0
286.13086	1.5
303.09875	3.2
303.15408	100.0
304.13745	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
50.56434	0.7
53.03933	1.4
54.28652	0.6
55.01870	0.8
55.05500	2.3
56.79742	0.7
56.96565	0.7
57.03423	0.7
57.07064	0.9
65.03947	0.9
67.05486	2.3
68.99790	1.5
69.03413	2.7
69.07064	1.8
70.07522	2.6
72.08145	3.2
79.05481	3.1
81.03403	2.4
81.07061	3.7
83.01322	2.3
83.04945	3.7
83.08608	1.0
85.17690	0.7
89.03895	6.6
91.05474	3.6
93.03381	0.9
93.07034	3.7
95.04948	1.5
95.08585	3.9
96.03913	0.7
97.02881	2.2
97.06519	1.7
100.11269	0.7
105.07016	3.9
107.04935	2.9
107.08576	3.5
109.02841	0.9
109.10120	2.1
109.27955	0.6
111.00827	0.7
111.04437	2.8
117.03380	12.9
118.88783	0.8
119.08590	2.5
120.08067	0.8
121.02847	1.3
121.06493	1.5
121.10143	1.9
123.04421	4.7
123.08029	1.2
125.02344	2.7
125.05994	0.7
125.09595	0.8
127.03990	0.9
130.74756	0.7
131.04906	0.7
131.08585	1.9
133.10104	2.2
135.04402	16.3
135.08028	2.3
135.11684	1.3
137.02379	3.3
137.05948	2.9
138.09091	1.3
139.03894	2.6
141.01796	1.0
145.02827	20.5
145.10046	1.3
147.04486	0.9
147.08090	0.9
147.11664	2.0
149.05974	2.2
151.03967	0.9
151.07516	1.0
153.01828	11.0
157.10120	1.2
159.04362	1.6
159.11728	1.3
161.05937	1.2
163.03885	68.8
164.04253	1.2
165.01817	1.4
165.05553	1.7
165.06911	1.5
167.03386	90.4
168.03801	1.2
173.05972	0.8
177.05438	10.8
179.03343	1.7
181.04965	0.7
183.02907	1.0
185.04491	3.6
186.05472	1.2
187.03906	1.9
187.14784	0.8
193.04945	5.3
199.79179	0.7
201.05406	2.2
205.04936	1.5
211.07472	1.0
214.12346	0.8
219.06529	2.8
229.05051	3.8
243.54007	0.8
257.04428	2.0
267.06564	1.0
285.04263	1.4
285.07596	3.1
285.12283	1.3
285.18625	1.3
285.21835	0.9
303.04962	34.0
303.08572	100.0
303.15939	2.1
303.19672	2.2
303.23108	4.2
304.05396	1.8
304.08945	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
53.03919	0.6
55.01848	1.0
55.05481	2.1
57.07066	0.4
65.03925	1.2
65.45731	0.5
67.01875	0.5
67.05485	0.9
68.99763	1.7
69.03400	1.9
69.07037	0.9
70.92536	0.7
70.92847	0.7
72.08158	0.4
79.05495	2.3
81.03395	1.5
81.07033	1.4
83.01347	2.7
83.04965	4.2
83.08615	0.6
89.03909	7.5
91.05445	1.4
93.03374	0.8
93.07022	1.1
95.04948	1.0
95.08575	1.7
97.02891	2.9
97.06522	0.7
105.06998	1.9
107.04970	2.9
107.08599	1.4
108.48263	0.5
109.02870	0.5
109.06503	0.7
109.10114	1.1
111.04426	4.2
115.05465	0.7
117.03366	11.2
117.07046	0.7
119.04885	0.8
119.08552	1.4
121.06480	0.7
121.10079	1.2
123.04407	4.9
123.08040	0.5
125.02322	2.0
127.03850	0.8
129.06973	0.5
131.04898	0.7
131.08556	0.6
133.10089	1.2
135.04395	18.9
135.08028	0.9
135.11682	0.6
137.02315	0.9
137.05949	1.7
139.03888	1.8
145.02832	17.5
145.03990	0.8
145.10129	0.7
147.11627	1.1
149.02327	1.0
149.05972	1.3
151.07515	0.9
153.01816	6.1
153.06972	0.6
159.04401	1.0
159.11638	0.9
161.05951	0.6
161.09647	0.5
161.13158	0.6
163.03886	69.6
164.04202	1.2
165.01813	1.4
165.05504	1.0
165.06961	1.1
167.03380	100.0
168.03761	1.5
169.03836	0.6
171.02859	0.9
173.05965	0.6
173.13177	0.5
175.11131	0.8
177.05449	11.5
183.07935	0.8
185.04503	3.8
185.05910	1.0
186.05423	0.7
187.03896	1.3
187.07587	0.7
193.04938	3.4
201.05531	0.7
205.05000	0.7
211.07625	0.7
216.11452	1.6
217.12202	1.8
219.06476	6.9
229.04964	1.1
239.06973	0.9
243.10217	0.6
243.17378	0.6
247.06023	0.7
259.13315	2.1
285.07404	3.1
285.18497	0.5
303.04865	6.0
303.08530	77.4
303.20135	2.8
303.23218	2.8
304.05676	0.7
304.08917	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01860	0.6
57.03391	0.1
65.03928	0.6
67.01852	0.5
67.05472	0.4
68.99780	2.8
69.03402	0.3
70.06567	0.3
70.71208	0.3
70.71549	0.1
71.01345	0.2
72.08131	0.2
79.01856	0.1
79.05471	0.1
81.03415	0.9
84.08149	0.2
86.09687	0.8
87.10030	0.3
90.31750	0.1
91.05447	0.3
93.03381	0.5
95.04944	1.1
97.02857	0.2
105.03379	0.4
105.07014	0.1
107.01312	0.1
107.04945	0.2
109.02856	1.3
110.03658	0.2
110.07122	0.1
111.00783	2.2
111.04432	0.2
115.05444	0.3
117.06995	0.5
119.04925	0.3
121.02852	2.6
123.04413	1.6
127.03914	1.2
127.05421	0.2
129.06943	0.3
131.04897	0.5
133.02831	0.2
133.06436	0.2
135.04388	0.8
137.02324	9.9
137.03378	0.5
138.02655	0.3
139.03870	0.4
143.04852	0.1
145.02803	0.2
145.06450	0.9
147.04401	0.5
149.02328	0.9
151.03886	1.3
153.01802	10.9
154.02103	0.2
155.04906	1.1
155.06062	0.2
157.06451	0.2
159.04395	0.4
161.05969	0.8
163.03889	1.4
165.01822	4.3
165.05421	0.2
166.02568	0.5
167.03482	0.1
171.02850	0.3
171.04314	0.2
173.02396	0.1
173.04506	0.1
173.05957	1.7
177.01862	0.2
177.05472	0.4
179.03435	0.5
181.04973	0.2
183.02859	1.7
183.04413	1.1
184.04985	0.1
187.03891	1.1
191.03386	0.2
191.06973	0.3
193.04971	0.1
195.02898	0.7
199.03831	0.2
200.04617	0.1
201.05437	4.4
202.05820	0.2
205.04993	0.6
207.02895	0.3
209.83604	0.1
211.03909	0.4
213.05478	0.2
215.03317	0.3
219.02972	0.2
219.06494	0.4
228.04134	0.6
229.04924	9.9
230.05290	0.4
232.03754	0.1
233.04390	0.1
239.03381	0.5
246.05208	0.2
247.05989	1.4
257.04407	5.6
258.04758	0.3
261.03952	0.2
267.02939	0.2
274.04678	1.3
275.05469	0.4
285.03955	2.2
285.07193	0.2
286.04608	0.3
303.04935	100.0
304.05267	4.5
304.08722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
53.03907	1.1
55.01872	0.6
55.05485	2.1
57.03416	1.0
65.03910	1.6
67.01854	0.5
67.05470	0.9
68.99765	1.5
69.03397	1.7
69.07054	0.8
69.99966	1.7
79.05453	2.2
81.03392	1.0
81.07037	0.8
83.01332	2.5
83.04976	2.7
83.08619	0.6
89.03910	7.5
91.05454	2.1
93.03370	1.8
93.07035	1.4
95.04939	1.7
95.08580	1.5
97.02896	4.0
97.03464	0.7
97.06512	0.6
97.61273	0.5
103.05452	0.5
105.06999	2.1
107.04940	3.1
107.08574	1.7
109.06481	1.1
109.10132	1.4
111.04425	3.7
117.03362	9.3
119.08597	1.5
121.02856	0.8
121.10150	1.0
123.04399	5.3
125.02296	1.2
125.09630	0.5
131.04932	1.0
131.08589	0.5
133.10092	0.8
135.04401	20.5
137.02325	1.4
137.05023	0.5
137.05943	2.3
139.03877	2.1
145.02823	14.4
145.06358	0.5
145.10065	0.8
147.11664	0.5
149.05948	1.0
151.07489	0.7
153.01817	5.8
157.10132	0.7
159.04413	0.8
159.11649	0.6
161.09662	0.8
163.03889	69.4
164.04272	1.2
165.01886	0.7
165.05461	1.6
165.06831	0.7
167.03387	100.0
168.03717	2.0
169.03836	0.6
173.05890	1.0
175.11243	0.6
177.05455	8.8
183.04526	0.6
183.07991	0.8
185.04486	3.5
187.03908	1.9
193.04964	4.6
201.05402	1.0
201.09067	0.6
205.04915	1.1
211.07545	0.7
215.14330	0.5
216.11446	1.7
217.12315	1.3
219.06525	10.0
229.05005	1.2
243.06639	0.8
257.04358	0.6
259.13278	2.0
271.09781	1.5
285.07547	2.9
285.22141	0.6
301.06146	0.8
303.04828	5.4
303.08469	80.8
303.19522	1.7
303.23108	2.2
304.08789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.00612	0.2
65.03942	0.7
67.01855	0.4
68.99781	2.4
69.03440	0.4
70.06574	0.7
70.71212	0.7
72.08155	0.3
75.17231	0.2
78.36720	0.2
81.03407	0.8
83.48575	0.2
84.04486	0.3
84.08119	0.4
85.02903	0.3
86.09694	1.3
87.10044	0.4
91.05494	0.3
93.03397	0.7
95.04964	1.2
97.02872	0.3
97.06518	0.3
105.03426	0.3
107.04949	0.5
107.08659	0.2
109.02880	1.2
110.07162	0.7
111.00797	1.8
115.05444	0.4
119.04934	0.3
121.02863	1.9
123.04430	2.4
127.03919	1.6
129.10255	0.3
131.04930	0.5
133.02840	0.3
135.04402	0.7
137.02341	9.6
137.03421	0.8
137.06035	0.2
139.03947	0.7
145.02777	0.2
145.06487	0.6
147.04436	1.0
149.02353	1.2
151.03911	2.2
153.01822	9.8
155.04883	1.1
159.04308	0.2
161.05974	0.9
163.03894	1.7
165.01830	3.6
165.03113	0.3
166.02615	0.7
171.01553	0.2
171.02887	0.8
173.02385	0.3
173.05977	1.5
177.05481	0.6
179.03375	0.5
183.02876	1.5
183.04411	1.1
183.08046	0.3
185.06006	0.3
187.03937	1.1
191.03419	0.6
191.07019	0.3
193.04921	0.4
195.02974	0.5
201.05458	4.1
203.03497	0.2
205.04956	0.5
207.02861	0.2
211.03842	0.4
213.05452	0.2
215.03438	0.5
219.02924	0.4
219.06534	0.3
228.04196	0.6
229.04939	8.3
230.05383	0.3
239.03427	0.5
247.06035	1.5
257.04446	5.6
258.05002	0.3
267.11334	0.2
274.04724	1.3
275.05408	0.7
285.03934	2.5
285.07144	0.4
285.12405	0.5
286.04996	0.2
303.04971	100.0
304.05338	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.32613	0.3
55.01868	0.5
63.97593	0.3
65.03920	0.4
67.05499	0.3
68.99779	1.5
69.35888	2.0
69.36296	0.8
71.61819	0.3
76.01314	0.3
81.03409	1.0
81.81226	0.3
86.09660	0.3
91.05437	0.4
93.03384	0.9
95.04954	1.1
95.08592	0.3
103.05441	0.3
105.06981	0.3
107.04925	0.4
109.02870	1.0
111.00758	1.7
120.08067	0.8
121.02853	2.1
121.85474	0.3
123.04378	0.5
127.03912	0.7
131.04872	0.5
135.04370	0.7
137.02332	7.8
137.03285	0.3
145.02809	0.6
145.06497	0.9
149.02312	0.9
153.01808	10.8
155.04872	0.7
159.04387	0.3
163.03896	1.3
164.62610	0.3
165.01830	3.3
166.02570	0.6
173.05992	1.8
177.05490	0.6
179.03384	0.4
183.02901	1.2
183.04396	1.2
187.03882	0.9
195.02986	0.4
196.57811	0.3
201.05421	4.2
205.04889	0.8
211.03813	0.5
219.02997	0.4
219.06493	1.1
228.04048	0.4
229.04941	9.6
230.05275	0.5
239.03395	0.5
245.04388	0.6
247.06024	1.4
255.79106	0.3
257.04358	5.9
259.06036	0.4
274.04773	1.1
275.05524	1.2
285.01169	0.4
285.03955	2.6
303.04950	100.0
304.05334	3.7
304.80310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78091	0.2
53.22403	0.2
53.56872	0.2
55.01863	0.3
59.97649	0.1
65.03915	0.7
67.01842	0.5
67.05476	0.3
68.99780	2.2
69.47433	1.4
69.47838	0.3
81.03408	0.5
90.90992	0.2
93.03390	0.8
94.26973	0.2
95.04938	0.7
98.20820	0.4
103.08061	0.2
109.02862	1.4
111.00788	1.8
111.04408	0.2
115.05417	0.4
117.07039	0.4
121.02837	2.0
123.04411	0.7
124.97391	0.2
127.03875	0.5
131.04924	0.4
133.06418	0.2
135.04385	0.5
137.02325	8.1
137.03308	0.4
145.06467	0.8
149.02328	0.7
153.01813	10.1
155.04881	1.1
155.16353	0.2
161.05988	0.7
163.03873	1.0
165.01826	3.9
166.02597	0.6
173.05945	1.5
177.01791	0.3
177.05492	0.3
179.03371	0.4
183.02859	1.3
183.04414	1.0
187.03903	1.1
191.03439	0.3
191.07089	0.2
195.02826	0.4
201.03603	0.3
201.05444	4.5
205.04895	0.7
207.02774	0.2
211.03908	0.4
219.02925	0.3
219.06421	0.5
221.04642	0.2
228.04135	0.8
229.04933	10.3
230.05261	0.3
239.03418	0.4
245.04446	0.3
247.05972	1.4
257.04425	5.3
258.05365	0.2
274.04617	1.8
275.05270	0.3
285.03873	2.4
290.09320	0.2
303.04941	100.0
304.05301	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	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.97584	0.1
53.03919	0.2
55.01857	0.4
57.18045	0.1
58.28975	0.1
65.03917	0.6
67.01845	0.4
67.05489	0.4
68.99776	2.4
69.03401	0.2
69.47562	1.1
76.67048	0.1
81.03404	0.9
86.98232	0.1
90.23974	0.2
90.62861	0.1
91.05467	0.2
93.03376	0.8
95.04948	0.9
95.57141	0.1
96.05251	0.1
105.03355	0.2
107.04935	0.3
109.02872	1.3
110.03671	0.2
111.00791	2.3
111.04439	0.2
115.05449	0.2
117.06998	0.4
119.04968	0.1
121.02031	0.2
121.02859	2.7
121.53405	0.1
123.04402	0.8
127.03876	0.5
128.02165	0.2
129.07033	0.2
131.04903	0.5
133.02815	0.2
133.06432	0.2
135.04359	0.4
136.47340	0.1
137.02327	8.8
137.03383	0.5
143.04898	0.2
145.02808	0.2
145.06471	0.8
149.02339	1.1
153.01804	12.6
154.02089	0.2
155.04874	1.5
155.05980	0.2
157.06482	0.3
157.36967	0.1
159.04404	0.3
161.05917	0.8
163.03882	1.3
165.01814	4.0
166.02618	0.7
173.02365	0.2
173.05954	2.0
177.01851	0.3
177.05458	0.3
179.03374	0.5
183.02864	1.7
183.04407	1.1
184.05240	0.2
187.03877	1.2
191.03360	0.3
191.07025	0.2
195.02855	0.4
201.03525	0.3
201.05438	5.5
202.05801	0.2
205.04974	0.4
207.02887	0.3
211.03902	0.5
213.05510	0.2
215.03287	0.2
217.04866	0.2
219.02959	0.3
219.06493	0.7
222.05351	0.1
228.04076	0.7
229.04933	10.9
230.05280	0.3
232.03598	0.2
239.03412	0.5
245.04405	0.3
246.05267	0.3
247.05978	1.6
257.04410	5.2
258.04996	0.2
274.04712	1.8
275.05447	0.4
285.03882	2.4
286.04568	0.2
303.04938	100.0
304.05258	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37037	0.6
56.96544	2.6
58.86558	0.7
60.75887	0.6
70.00898	2.3
70.01313	1.0
75.47872	0.5
97.96675	0.6
98.97572	6.8
101.00830	0.6
102.96818	0.7
112.48327	0.6
116.98595	6.6
119.01155	0.8
119.01913	8.8
120.01970	0.6
120.97903	0.8
134.99644	5.4
135.99991	0.7
137.02913	2.0
153.00731	0.8
158.99962	0.5
177.00934	17.6
178.01067	3.7
179.00673	3.0
179.99393	0.6
195.81673	0.5
201.00987	1.0
202.01071	0.9
204.00778	0.5
211.01724	0.5
211.04330	0.6
217.04097	3.1
218.03690	2.5
218.99835	1.2
219.01971	23.5
220.02054	5.9
221.01756	6.9
222.01799	1.3
223.01553	0.7
225.00961	1.1
226.01201	0.6
234.99763	0.6
236.99736	0.6
237.02434	0.6
242.03781	0.7
243.01904	7.5
244.02206	2.0
250.97539	0.8
254.97231	0.7
261.03036	100.0
262.03156	28.6
263.02933	4.0
278.97552	0.9
279.00446	4.4
279.03278	0.5
279.97537	1.1
280.00888	1.5
284.04678	3.9
284.99799	1.4
285.04587	1.7
297.98331	0.8
301.01056	1.1
303.00882	2.1
303.05377	6.5
320.98306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.14089	0.3
65.03932	0.5
67.05467	0.3
68.99786	2.1
69.22670	3.1
71.06902	0.3
72.62317	0.3
81.03414	0.6
84.04491	0.6
86.09692	0.8
87.10004	0.4
93.03388	0.5
95.04956	0.7
109.02863	1.3
111.00788	2.1
121.02853	1.8
123.04412	0.5
127.03888	0.6
128.06253	0.3
129.77650	0.3
131.04865	0.7
133.06406	0.3
135.04404	0.6
137.02333	7.8
137.03314	0.3
145.02930	0.3
145.06467	0.8
149.02310	0.8
151.03891	0.6
153.01817	10.4
154.12292	0.8
155.04921	1.2
161.05975	0.5
163.03902	1.2
165.01820	3.7
166.02490	0.4
173.05978	1.3
179.03357	0.6
183.02858	1.7
183.04449	1.0
187.03888	0.8
191.03452	0.5
195.02892	0.5
201.05449	4.7
205.05037	0.3
213.05389	0.3
219.06458	1.0
228.04205	0.8
229.04944	8.1
230.05318	0.4
239.03462	0.4
247.05983	1.4
257.04456	4.9
267.11261	0.9
274.04742	1.0
285.03946	2.0
285.12222	0.7
303.04962	100.0
304.05298	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
58.68638	0.2
65.03922	0.8
67.01866	0.5
67.05472	0.2
68.99780	2.4
70.97370	0.6
81.03414	1.1
83.37863	0.2
91.05444	0.3
93.03374	0.7
95.04953	1.2
95.30151	0.2
97.45802	0.2
108.22147	0.2
109.02864	1.3
111.00788	2.3
111.34652	0.2
117.07011	0.5
121.02856	2.3
123.04432	1.5
124.38857	0.3
127.03928	0.4
129.07007	0.3
131.04935	0.4
133.06473	0.2
135.04391	0.5
137.02330	7.9
137.03349	0.4
138.02611	0.3
145.02820	0.4
145.06459	0.8
149.02301	0.8
151.03908	0.4
153.01816	10.6
154.02138	0.3
155.04892	1.0
157.06448	0.4
159.04478	0.2
161.05942	0.7
163.03899	1.0
165.01816	4.8
166.02573	0.6
170.31294	0.2
173.05986	1.6
177.05469	0.4
177.41805	0.2
178.17577	0.2
179.03375	0.6
181.26776	0.2
183.02863	1.8
183.04417	1.0
187.03886	1.0
191.03349	0.3
191.07095	0.4
195.02858	0.4
201.05435	4.7
205.05002	0.4
211.03940	0.3
213.05495	0.3
215.03365	0.4
219.02931	0.3
219.06497	1.1
223.02351	0.2
228.04106	0.7
229.04939	10.1
230.05240	0.3
239.03375	0.5
245.04472	0.4
246.05243	0.3
247.05936	1.2
257.04425	5.5
258.04861	0.3
274.04663	1.3
275.05380	0.4
285.03885	2.4
303.04950	100.0
304.05313	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	302.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07299	0.6
55.01863	0.7
67.05502	0.8
68.99787	2.0
69.03412	0.7
69.07059	5.3
70.06585	9.2
72.08145	0.8
75.05596	7.4
79.05470	0.8
79.64616	0.8
81.03410	1.1
81.07040	1.4
84.08141	1.7
85.02888	1.0
86.09698	100.0
86.48132	0.6
87.10014	1.1
90.22736	0.5
91.05441	0.9
92.34618	0.6
95.01324	1.1
95.04969	1.1
98.06049	2.2
104.86865	0.6
105.06976	0.6
109.02869	2.0
111.00784	1.0
112.07605	5.6
115.05467	0.7
119.04929	0.8
121.02888	1.1
123.00835	0.8
127.03886	0.7
132.10182	11.2
135.04427	2.6
135.95844	0.6
137.02336	3.9
137.03282	0.7
140.07088	1.4
141.01785	0.9
143.11783	53.4
151.03926	1.4
153.01814	2.4
154.12177	0.8
155.04886	0.7
157.08446	0.8
158.09682	1.1
159.09976	2.6
161.80470	0.7
163.03963	1.2
165.01826	1.2
168.08072	0.8
169.01315	2.9
169.08463	1.2
170.06061	0.8
171.11266	15.4
176.04544	0.7
177.05481	0.9
189.12364	5.6
195.02861	0.7
201.05495	1.2
219.06558	2.6
229.04904	3.6
246.08377	0.7
257.04443	2.3
274.04736	0.8
274.07510	1.2
285.03967	1.6
302.04025	1.9
302.07144	6.5
303.04968	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07299	0.6
55.01863	0.7
67.05502	0.8
68.99787	2.0
69.03412	0.7
69.07059	5.3
70.06585	9.2
72.08145	0.8
75.05596	7.4
79.05470	0.8
79.64616	0.8
81.03410	1.1
81.07040	1.4
84.08141	1.7
85.02888	1.0
86.09698	100.0
86.48132	0.6
87.10014	1.1
90.22736	0.5
91.05441	0.9
92.34618	0.6
95.01324	1.1
95.04969	1.1
98.06049	2.2
104.86865	0.6
105.06976	0.6
109.02869	2.0
111.00784	1.0
112.07605	5.6
115.05467	0.7
119.04929	0.8
121.02888	1.1
123.00835	0.8
127.03886	0.7
132.10182	11.2
135.04427	2.6
135.95844	0.6
137.02336	3.9
137.03282	0.7
140.07088	1.4
141.01785	0.9
143.11783	53.4
151.03926	1.4
153.01814	2.4
154.12177	0.8
155.04886	0.7
157.08446	0.8
158.09682	1.1
159.09976	2.6
161.80470	0.7
163.03963	1.2
165.01826	1.2
168.08072	0.8
169.01315	2.9
169.08463	1.2
170.06061	0.8
171.11266	15.4
176.04544	0.7
177.05481	0.9
189.12364	5.6
195.02861	0.7
201.05495	1.2
219.06558	2.6
229.04904	3.6
246.08377	0.7
257.04443	2.3
274.04736	0.8
274.07510	1.2
285.03967	1.6
302.04025	1.9
302.07144	6.5
303.04968	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
56.05013	1.2
61.25130	0.7
68.99763	1.1
69.07069	1.5
70.06587	9.1
72.08147	100.0
73.08489	1.7
73.51626	0.7
81.03413	1.1
82.06583	0.9
84.04507	1.3
84.08141	2.6
86.06065	0.9
86.09698	69.9
87.10040	1.0
91.05479	0.8
95.08591	1.4
97.02921	1.0
112.07620	3.7
116.07092	1.3
118.08643	4.0
123.04400	3.3
129.10280	1.6
130.08672	0.8
132.10207	6.3
135.04443	1.2
136.04741	1.1
137.02293	2.5
137.05942	0.9
139.03902	8.0
140.04205	4.7
140.07047	1.9
143.11786	65.0
144.12103	1.7
147.04410	1.3
151.03879	4.1
153.01823	4.2
157.13348	35.0
158.13737	1.0
161.05887	0.9
163.03871	1.9
165.01768	1.5
167.05666	0.8
171.11282	24.0
173.05952	1.2
185.12823	14.3
189.12271	1.4
201.05597	0.9
203.13936	2.6
214.05891	0.9
215.03310	1.0
229.04985	2.7
231.17044	3.1
252.51741	0.8
257.04471	2.4
271.09854	0.9
285.07159	0.9
302.04376	1.0
302.07382	3.9
302.12039	1.1
302.21823	2.1
302.30627	0.9
303.04974	24.4
303.08563	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.73169	0.7
55.05505	1.0
56.05054	0.8
56.96545	0.6
57.07066	0.6
57.21362	0.7
66.88548	0.6
68.06315	0.6
69.03423	1.3
69.07067	0.9
70.02934	0.7
70.06587	100.0
71.06926	1.6
71.52753	0.9
72.08145	6.1
81.03409	3.7
84.08137	2.3
85.02902	2.6
86.09701	5.3
91.05489	1.3
95.08564	0.8
97.02884	1.3
98.05968	0.7
99.04454	2.2
109.02859	4.8
110.05037	0.6
110.07166	1.1
112.07592	71.9
113.07908	1.0
116.07123	1.8
121.02866	0.7
123.04415	1.1
127.03891	4.8
132.10100	0.7
135.04361	0.8
137.02379	1.8
137.03467	0.6
139.03923	1.3
140.07048	18.6
140.08102	1.0
142.88690	0.7
143.11743	3.8
150.06296	0.8
151.03923	0.9
153.01894	1.9
157.13374	0.9
158.08119	8.2
158.09305	1.0
171.00899	0.6
171.11305	1.9
173.05959	0.6
177.05479	0.7
201.05563	0.8
212.09235	1.6
229.05080	2.0
230.10298	0.8
247.65073	0.6
257.04715	0.8
274.04800	1.0
284.11334	2.5
302.04272	1.3
302.07471	3.6
302.12280	0.7
302.22171	0.7
303.04935	17.9
303.08240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
57.03403	2.6
61.02920	3.3
65.03925	2.5
67.05178	2.8
67.05502	36.3
68.99776	2.4
69.03426	16.5
69.07068	18.8
70.06586	13.8
71.52191	1.5
71.52589	1.9
72.08148	3.9
74.10187	1.6
81.03405	7.8
84.04522	1.9
84.08121	7.6
85.02898	44.6
86.09708	13.0
91.05444	2.8
95.04961	58.6
97.02885	39.3
103.03905	4.2
105.03336	2.0
105.56625	1.9
107.04946	2.9
109.02848	10.0
112.07594	35.2
113.05963	3.9
122.06020	3.0
123.04424	9.8
124.07623	3.0
127.03884	11.1
129.10233	2.5
135.04384	4.0
136.07587	2.0
136.14278	1.9
137.02391	2.0
139.03876	11.5
140.04225	5.5
140.07056	100.0
141.07361	2.3
145.04930	3.7
147.04395	4.6
151.03896	12.6
153.01836	5.4
154.08620	6.7
158.08192	1.8
161.29243	1.6
163.03897	5.4
165.89371	1.8
172.10823	1.9
178.08688	3.3
182.08121	59.3
193.05011	2.5
199.18034	2.6
203.03459	3.7
206.08098	12.9
215.03453	2.2
219.02785	2.2
229.04971	5.0
231.02843	8.7
236.09355	3.4
248.09145	9.5
257.04431	4.1
259.02405	3.1
284.06314	3.6
302.07260	4.3
302.21851	3.3
303.05032	35.1
303.08359	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91055	3.1
55.01856	10.0
55.05499	22.8
57.03428	25.4
61.02926	3.4
67.05497	39.4
67.82199	3.9
69.07071	28.7
69.17264	3.8
71.01331	6.6
71.04987	8.7
71.52840	6.3
72.93884	3.6
76.05547	3.6
76.89899	3.6
77.19456	3.7
78.50793	3.7
79.05483	52.7
81.03399	6.6
81.07054	48.4
83.04980	12.9
83.08591	5.8
85.06570	3.4
91.05457	25.4
93.07032	72.3
95.04947	9.7
95.08590	43.9
97.02859	5.8
97.06534	15.8
97.10182	5.9
105.07027	17.7
106.51865	3.2
107.04936	12.3
107.08578	32.8
109.06522	4.1
109.10143	12.4
111.04441	4.2
111.11701	14.2
117.07047	8.8
119.08564	20.6
121.06543	8.8
121.10133	100.0
123.08041	5.1
123.11677	4.1
125.05958	9.8
125.09654	4.0
131.08548	15.3
133.10060	10.8
135.11659	27.6
139.07542	8.1
139.11172	36.8
145.10095	31.4
147.11620	3.6
149.06001	3.6
149.09583	8.9
155.08554	7.0
157.10191	4.2
159.11676	5.0
163.11177	39.6
181.12204	14.1
185.11688	6.6
191.10709	7.7
209.11685	7.6
212.98141	3.5
227.12680	36.4
245.13814	95.1
246.14241	4.7
258.05264	5.3
286.04834	4.8
301.07010	24.4
301.16379	56.9
301.21597	12.9
309.99573	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1795
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
55.01865	2.5
55.05503	7.1
57.03419	2.5
57.07063	5.4
58.06587	3.8
60.04533	2.0
67.05501	8.1
68.99780	2.8
69.03419	1.3
69.07059	7.4
69.87052	7.9
70.06595	2.7
71.08622	1.9
73.84846	1.2
79.05480	6.5
81.07045	22.1
81.07476	2.2
83.05000	1.3
83.08613	2.9
88.07629	3.1
91.05482	5.2
93.07040	7.0
95.04911	1.8
95.08599	21.0
97.06496	1.5
97.10157	1.7
98.20802	1.5
103.05463	6.9
104.07093	1.9
105.07026	7.9
106.08669	2.0
107.04971	2.2
107.08588	3.7
109.10135	5.1
111.11677	1.9
115.05402	1.6
117.06996	2.1
119.08577	4.1
121.06516	6.2
121.10147	4.7
123.11697	32.1
131.04913	18.0
131.08571	3.2
133.06468	4.6
133.10164	2.4
135.04411	2.0
135.11684	1.7
137.06984	1.2
137.13251	6.7
143.08636	1.9
145.06485	4.0
145.10019	2.2
147.04399	2.7
149.05992	4.6
149.09602	1.3
157.06473	1.6
159.04405	23.6
159.08037	3.3
159.11668	2.0
161.06017	1.8
169.06390	1.8
171.08022	3.4
173.05928	4.1
173.09610	2.0
173.13258	2.6
177.05453	100.0
178.05751	1.4
181.06413	1.5
183.08086	3.6
185.05894	1.8
185.09607	4.7
187.07565	6.6
191.06999	4.3
194.72227	1.3
195.08012	2.5
197.09698	2.3
199.07501	1.6
199.11180	2.1
201.09108	5.5
209.09612	3.3
213.09102	5.2
219.10226	1.7
223.11270	2.2
227.10660	2.0
258.05283	2.8
265.15836	6.3
283.16922	65.8
283.28214	1.9
284.17191	1.8
286.04828	1.7
301.06964	10.2
301.10056	1.9
301.18054	35.9
301.21561	6.0
301.25473	2.8
301.29166	12.2
302.07199	1.5
302.30502	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	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.01862	1.0
55.05505	14.0
55.76667	1.2
57.07072	2.7
65.03924	1.7
67.05499	22.1
68.23603	1.0
69.07056	10.2
69.39976	9.4
74.54707	0.9
79.05486	8.2
81.07045	15.8
83.04977	1.4
83.08587	4.9
91.05462	13.7
93.07037	20.7
95.04941	2.1
95.08596	100.0
96.08954	1.2
97.10139	2.8
98.11475	1.0
105.07018	19.9
107.04941	2.1
107.08581	24.0
109.10144	14.1
111.04426	3.9
116.77111	1.3
117.07009	4.1
119.08570	21.1
121.06557	1.6
121.10121	18.0
121.73219	1.2
123.08027	1.8
123.11701	7.4
125.05930	5.1
129.06946	2.5
131.08569	5.7
133.06395	1.5
133.10126	14.2
135.11687	12.4
137.06012	3.1
139.07542	2.2
142.07811	1.8
143.08519	6.2
145.10097	9.0
147.11676	8.5
149.13240	4.7
153.14539	1.1
156.09332	1.4
157.10080	6.8
159.11703	9.7
161.09605	3.1
161.13205	8.0
163.14793	3.7
165.09120	1.9
169.10069	2.0
171.11633	6.8
173.13277	5.5
175.14801	2.6
179.10622	3.7
183.11604	2.0
185.09538	2.0
185.13269	5.7
187.11151	4.1
187.14774	3.3
189.08994	1.5
191.10501	1.5
193.12253	1.6
199.11194	1.8
199.14754	3.3
201.12750	1.4
201.16380	4.1
203.10712	1.6
203.17952	3.8
205.12161	5.3
207.13725	1.5
213.12659	3.0
213.16379	1.3
217.12148	1.3
219.13783	2.0
227.14230	2.0
231.13744	6.7
239.17911	2.4
241.19516	4.0
245.15359	4.5
255.21046	6.9
265.19446	1.5
283.20523	8.3
301.07016	2.1
301.21591	49.7
302.21909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03938	2.3
55.05505	14.0
57.07071	4.6
58.07393	1.9
62.05791	2.2
62.06085	32.6
62.41860	1.4
63.06411	4.9
65.03944	1.3
66.06984	1.5
67.05500	19.6
69.07065	11.9
69.38119	11.9
70.32315	1.4
71.08608	2.7
74.54966	1.2
79.05488	10.9
81.07056	17.7
83.04951	1.8
83.08609	5.9
91.05482	13.0
93.06492	2.0
93.07041	25.7
95.04958	2.7
95.08599	100.0
96.08904	1.8
97.06502	2.1
97.10148	4.2
98.20721	1.5
105.07026	20.5
107.04935	2.2
107.08587	28.0
109.10136	12.4
111.04436	4.0
115.41615	1.3
117.07023	3.9
119.08575	27.0
120.66833	1.4
121.06478	1.7
121.10132	22.5
123.08071	1.8
123.11710	8.7
125.05978	6.7
129.06987	2.5
131.08536	7.9
133.10104	22.4
135.11690	14.3
137.05968	2.0
143.08562	6.4
145.10110	11.9
147.08031	2.6
147.11642	9.5
149.13260	4.9
155.08450	1.5
157.10101	7.9
159.08089	1.9
159.11681	12.0
161.09645	5.3
161.13240	7.4
163.14845	2.8
165.09088	2.0
169.10115	3.8
171.08076	1.4
171.11710	6.1
173.13290	6.4
175.14839	2.8
177.12730	1.8
179.10693	5.4
183.11703	1.6
185.13274	4.9
187.11082	6.6
187.14832	2.4
189.12860	1.8
191.10681	1.6
191.17960	1.8
199.11159	2.1
199.14865	4.5
201.12753	2.6
201.16399	4.5
203.18002	4.6
205.12271	6.5
209.13251	1.9
213.12805	2.7
217.12241	2.0
219.13750	2.9
223.14790	1.5
227.14317	5.0
231.13681	8.2
239.18048	2.7
241.19597	4.3
245.15427	5.6
255.21085	8.4
265.19458	1.8
283.20596	8.2
283.28314	2.3
284.26660	3.5
301.07098	5.0
301.21658	54.9
301.25092	2.7
301.29181	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.6
55.05508	19.7
55.28962	2.1
56.14299	2.2
57.03432	23.4
57.07066	3.1
65.03922	4.1
67.05138	3.4
67.05498	53.6
69.03411	2.4
69.07059	30.0
71.01349	4.0
71.04974	10.1
79.05487	63.1
79.90230	2.4
81.03412	5.9
81.07050	42.1
83.04971	21.2
83.08609	9.3
84.48796	2.3
85.02892	6.3
85.06507	4.3
89.02376	3.6
91.05467	23.5
93.07034	71.2
95.04944	13.0
95.08620	34.3
97.02888	3.6
97.06517	14.2
97.10162	5.9
98.20728	5.6
99.04449	4.9
105.07009	14.8
105.78531	2.4
107.04944	15.2
107.08575	33.3
109.06521	4.1
109.10170	16.1
111.04430	20.8
111.08066	4.6
111.11710	14.4
112.67104	2.4
116.06210	2.3
117.07029	11.3
119.08578	23.5
121.06467	11.1
121.10129	100.0
123.08041	4.1
125.05968	7.8
125.09602	4.8
129.05473	2.8
129.07016	4.3
130.07729	3.2
130.90680	2.2
131.08533	15.6
133.10124	4.9
135.11682	37.4
137.09546	3.3
139.07545	5.6
139.11166	36.8
145.10112	31.0
147.11664	5.4
149.09569	8.4
153.12762	11.4
155.08522	5.3
163.11165	55.5
173.09573	11.5
173.13271	3.8
181.12209	36.2
182.01927	2.7
185.11726	13.7
188.92444	5.4
191.10635	19.6
203.12773	4.4
209.11681	7.1
227.12750	47.8
229.12990	2.8
245.11269	4.9
245.13805	82.5
246.14192	2.5
258.05298	3.2
286.04816	5.3
301.07190	12.6
301.16473	56.7
301.21576	8.3
302.16589	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	301.1067
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01865	1.0
55.05496	2.0
57.03429	1.5
57.38098	0.7
65.03922	0.8
67.05507	4.1
69.03411	1.1
69.07055	1.4
71.04977	0.7
71.52193	1.0
72.08152	0.8
75.68174	0.6
76.64166	0.6
79.05486	4.1
81.07047	3.4
83.01333	2.5
83.04977	1.4
85.01124	1.0
87.74874	0.7
89.61543	0.6
91.05469	12.3
93.07030	4.3
95.04942	3.5
95.08591	2.3
97.02884	2.8
97.06512	1.6
105.07016	2.6
107.04950	5.6
107.08578	1.9
109.06525	0.9
109.10142	1.3
113.04191	1.0
117.07076	0.8
119.04937	20.2
119.08571	1.8
121.06467	1.0
121.10118	1.9
123.04423	3.3
125.05991	1.5
131.08521	0.9
133.10037	1.2
135.04399	0.8
135.11642	0.9
143.08551	1.0
145.10136	1.0
147.04393	56.7
148.04691	1.2
153.05565	0.7
156.08429	0.9
167.03387	1.0
179.03397	1.2
181.04939	98.9
189.05569	1.1
199.05930	1.4
207.06506	0.9
213.05450	0.7
241.08533	1.7
258.05234	0.9
269.08054	1.4
283.09567	0.9
283.21127	0.9
283.24420	0.8
286.04733	1.2
301.07135	9.5
301.10648	100.0
301.21594	2.1
302.11050	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01860	21.0
55.05499	44.4
57.03437	40.8
61.35833	5.3
65.03960	9.9
67.05500	100.0
68.39339	4.7
69.03399	5.1
69.07061	30.9
69.76221	27.1
71.04976	12.3
79.05488	89.3
81.03407	20.5
81.07050	71.3
83.04984	31.2
83.08605	12.6
85.02914	8.2
85.06525	10.4
91.05472	55.8
93.07034	89.2
95.04957	22.1
95.08604	40.5
96.22212	4.1
96.96658	4.0
97.02907	4.9
97.05945	5.3
97.06534	22.9
97.10188	13.8
105.07032	26.4
107.04951	30.5
107.08581	49.7
109.06533	9.2
109.10159	28.3
111.04442	35.3
111.08115	7.9
117.07018	23.0
119.08551	33.5
121.06490	12.0
121.10137	77.7
123.08079	5.0
125.05977	7.5
125.09618	12.6
129.07037	5.5
131.08546	24.2
133.10115	13.1
135.08069	9.3
135.11650	41.0
139.11189	19.4
143.08525	5.7
145.06528	8.3
145.10106	56.4
147.07996	7.0
147.11691	6.2
149.09601	11.4
153.12720	10.6
155.08525	12.5
163.11168	65.4
173.09605	27.0
181.12172	28.1
188.92358	12.2
191.10689	21.7
209.11737	16.0
227.12744	30.4
235.68967	5.7
244.95044	6.9
245.13768	27.2
255.21094	7.1
257.13803	7.3
258.05258	5.0
283.15344	6.9
286.04675	8.0
301.07068	24.8
301.16425	81.8
301.21646	15.9
301.24939	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.63669	0.3
55.01874	0.5
55.05508	0.6
60.11277	0.3
65.03944	0.5
65.71123	0.3
67.05514	0.6
68.99802	1.1
69.03415	0.3
69.07059	0.4
69.82472	2.0
70.06608	0.5
72.08162	0.4
79.05508	1.1
81.03421	0.5
81.07046	0.7
86.09695	0.4
89.32925	0.3
90.34442	0.3
91.05495	0.7
93.03391	0.6
93.07038	0.6
95.04958	0.5
95.08619	0.6
97.06554	0.3
105.07060	0.9
107.04984	0.8
107.08600	0.9
109.02884	0.7
111.08099	0.4
119.04979	0.3
119.08617	0.5
121.02872	0.8
121.10165	0.7
123.04430	0.8
124.01526	1.8
128.06342	0.3
129.07013	0.3
131.08617	0.7
133.06477	0.3
133.10133	0.6
134.03577	2.0
135.04462	1.6
135.11678	0.5
137.02322	2.7
137.03242	0.4
137.05998	0.5
139.03899	1.0
141.98888	0.3
145.10109	0.4
147.11707	0.5
151.03979	0.6
152.01067	1.0
153.01817	5.5
157.10129	0.4
159.11613	0.3
160.44920	0.3
160.46571	0.3
163.03906	2.0
163.05142	0.3
165.01845	0.6
165.05489	0.8
167.03424	3.0
170.02063	1.7
172.81294	0.3
176.12605	0.3
179.03421	0.4
181.06531	0.6
189.05489	0.9
190.02473	0.3
191.03389	3.8
198.06728	0.6
212.04567	0.4
213.05460	1.2
213.09032	0.3
217.04903	1.9
226.06271	0.8
227.06978	0.4
228.04047	0.4
229.04897	2.1
230.05817	1.2
240.04182	0.7
241.08604	1.9
245.04372	1.7
245.08121	0.4
255.06578	0.8
257.04398	0.5
258.05222	13.3
259.05801	1.4
269.04395	1.5
269.07993	1.0
273.03915	1.8
273.07553	0.8
274.04669	0.7
283.10831	1.0
285.03925	6.7
286.04694	45.1
287.05051	1.7
301.07034	100.0
301.21738	1.0
302.04129	4.0
302.07422	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	301.0701
Annotation	Rengasin
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	8.9
55.05481	0.9
57.07064	0.6
59.04980	1.8
65.03923	0.9
67.05487	1.4
68.99781	5.8
69.03415	1.0
69.07037	0.7
70.06586	0.4
71.04983	0.5
71.52834	0.9
79.01836	2.2
79.05479	1.1
79.35729	0.5
81.03410	3.8
81.07043	1.9
83.01367	0.5
83.04972	1.1
91.05457	1.4
92.99759	3.0
93.03371	0.7
93.07003	1.0
95.04946	3.8
95.08553	1.0
97.02867	2.0
99.00822	2.7
105.07018	1.1
107.04935	17.6
107.08551	0.7
109.02845	1.4
109.06518	0.6
109.10133	0.7
111.04427	2.2
119.08546	1.0
121.02857	3.3
121.10110	1.0
123.00761	0.7
123.04417	5.9
128.06136	0.5
131.08582	0.9
133.10095	0.9
135.04404	3.4
135.08023	0.7
137.02293	4.0
139.03880	47.2
141.01801	14.7
145.06444	0.7
145.10095	0.9
145.17123	0.5
147.00696	0.5
149.02318	1.5
151.03894	1.5
155.03319	1.0
157.06448	1.1
159.11787	0.4
163.03888	1.7
165.01811	63.6
166.02164	1.0
167.03351	0.9
179.03365	14.7
183.02861	100.0
184.03162	1.8
185.06029	0.7
195.02841	7.1
199.07628	0.6
212.04735	0.5
227.07001	1.7
255.06496	7.0
256.06732	0.5
258.05222	0.6
273.07458	1.8
283.05948	0.6
286.04678	0.8
300.28897	1.2
301.07068	14.0
301.10696	1.6
301.21613	1.4
301.29224	1.9
302.07208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03930	0.2
57.03408	0.2
59.17980	0.1
67.01851	1.1
67.05488	0.2
68.99775	0.6
70.93071	0.4
71.04982	0.1
79.05476	0.3
81.03391	0.4
81.07032	0.2
83.01334	0.4
83.04967	0.2
86.09690	0.1
89.03925	0.6
91.05501	0.2
93.03394	0.3
93.07010	0.2
97.02862	0.2
105.03371	0.2
105.06332	0.1
105.07030	0.3
107.04909	0.4
107.08539	0.1
111.04424	0.2
117.03367	0.7
121.02856	0.3
123.04408	0.1
133.10097	0.2
135.04395	3.9
137.02338	1.8
139.03876	0.1
141.01784	0.3
149.02348	0.3
153.07028	0.3
161.02309	1.2
163.03827	0.2
165.01816	1.7
167.03386	9.6
168.03726	0.2
170.40620	0.1
179.03371	0.5
181.06436	0.2
183.02887	0.8
185.04436	0.2
185.05869	0.3
199.07544	0.2
203.03426	0.2
205.12268	0.1
209.06065	0.2
213.05420	0.4
226.06412	0.1
227.07025	0.5
245.08138	0.4
255.06474	1.2
258.05219	0.5
263.05502	0.3
273.07434	0.2
283.05951	0.9
286.04663	0.6
297.81409	0.1
299.05502	2.5
299.08630	0.2
300.06177	0.2
301.07028	100.0
302.07361	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Koparin
Peak:m/z	Relative Intensity
50.66116	0.2
53.03930	0.3
54.52609	0.2
55.01860	0.6
58.99568	0.3
65.03917	0.4
67.01832	0.3
67.05479	0.7
68.99784	1.3
69.03404	0.4
69.65134	1.4
71.04948	0.2
79.05472	1.0
81.03403	0.4
81.07033	0.8
89.03915	1.1
91.05464	0.8
93.07011	0.4
95.04939	1.2
95.08600	0.5
97.02897	0.3
98.34866	0.2
99.04465	0.3
103.05422	0.3
103.62778	0.2
105.03360	2.4
105.04490	0.4
105.07021	0.3
106.04148	0.3
107.04952	2.3
107.08523	0.3
109.02880	0.3
109.06478	0.4
111.04412	0.4
115.05423	0.3
115.61526	0.2
117.03355	0.5
121.02783	0.5
121.06489	0.4
121.10145	0.5
123.04411	12.5
123.41154	0.3
124.01537	1.8
125.34959	0.3
128.06203	0.5
131.08598	0.3
133.02802	0.7
133.10130	0.4
134.03613	2.5
135.04422	2.0
137.02304	1.7
137.03281	0.4
137.05975	0.6
139.03897	0.8
143.32314	0.2
145.10094	0.3
147.04428	0.4
149.02225	0.3
149.06013	0.3
151.02090	0.3
151.03894	0.6
152.01031	1.4
153.01805	5.2
153.06969	0.4
157.06389	0.3
161.02328	2.1
161.05939	0.3
163.03923	1.2
165.05466	1.3
167.03383	26.1
168.03712	0.3
170.02084	2.4
176.26144	0.3
177.05521	0.3
179.03397	0.7
181.06393	0.3
184.05186	0.7
185.05994	0.4
187.03978	0.3
189.09068	0.4
191.03384	3.5
193.04944	0.5
197.06042	0.3
197.08128	0.5
199.03868	0.3
199.07434	0.6
201.05463	0.8
202.06181	0.4
203.06992	0.3
212.04689	0.8
213.05498	1.4
216.04163	0.6
217.04974	0.3
217.08540	1.2
226.06108	0.5
227.06873	1.2
229.04913	4.5
230.05673	2.1
231.06490	0.4
240.04198	2.7
241.05023	0.5
241.08594	0.7
242.05479	0.3
245.08083	6.0
255.06473	3.6
257.04495	0.8
258.05206	9.1
259.05893	1.2
268.03549	1.3
269.04419	2.7
269.07422	0.4
273.07504	2.1
283.05930	1.6
285.01404	0.2
285.03882	9.7
286.04678	14.0
287.05203	0.4
301.07025	100.0
302.07330	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.02028	0.1
55.05481	0.3
56.44196	0.2
57.03413	0.2
59.05445	0.2
64.71530	0.2
67.05473	0.4
69.07046	0.3
70.12756	0.7
79.05463	0.4
81.03387	0.2
81.07024	0.6
83.04968	0.2
91.05434	0.4
93.07021	0.3
95.04916	0.2
95.08554	0.5
96.36361	0.2
96.72975	0.1
98.21445	0.2
105.06983	0.6
106.97050	0.1
107.04936	0.2
107.08579	0.4
109.10119	0.4
119.08572	0.4
121.10072	0.2
131.08522	0.2
133.10098	0.3
135.11658	0.2
149.05920	0.4
153.01787	1.5
163.03839	0.2
165.01779	0.2
167.03389	0.8
173.13197	0.2
177.05414	0.2
183.02827	0.3
184.05124	0.2
191.10564	0.2
213.05397	0.2
217.08698	0.2
227.07001	0.3
229.04918	2.8
230.05630	0.3
245.08060	0.4
245.80231	0.2
255.06587	0.4
257.04367	1.0
257.20883	0.8
258.05206	44.4
259.05643	1.9
269.04568	0.2
286.04678	60.5
287.05051	2.8
298.04321	0.2
301.07025	100.0
302.07358	4.3
302.10193	0.1
324.06454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Koparin
Peak:m/z	Relative Intensity
50.01600	0.2
51.83289	0.2
52.08518	0.2
52.60244	0.2
53.03929	0.4
53.41330	0.2
55.01871	0.3
63.37365	0.2
65.03914	0.3
66.91663	0.2
67.01854	1.3
67.05473	0.3
68.99783	0.5
69.42793	1.0
69.43213	0.4
79.05502	0.4
81.03416	0.7
81.07072	0.2
89.03890	1.0
89.21867	0.2
90.04704	0.2
91.05486	0.4
93.03387	0.4
93.07023	0.5
95.04966	0.8
96.35839	0.2
98.21594	0.2
99.04498	0.2
105.03386	3.6
105.04494	0.3
105.06985	0.4
107.04949	1.7
109.02836	0.4
109.06503	0.2
109.10092	0.2
111.04426	1.2
115.05418	0.3
117.03366	0.6
118.04178	0.3
119.04927	0.3
119.08578	0.2
121.02817	0.2
121.06446	0.2
123.04425	1.0
124.01558	0.7
125.02344	0.7
128.06253	0.5
129.03336	1.2
129.07005	0.7
131.08600	0.2
133.02824	0.6
134.03625	0.2
135.04416	3.2
137.02283	0.9
137.05937	0.3
139.03925	0.3
139.05414	0.4
141.05467	0.2
141.07001	0.3
144.72119	0.2
146.07292	0.3
147.04398	0.6
148.93855	0.2
149.02324	0.3
150.03119	0.4
151.03880	0.9
153.01808	0.3
155.03352	0.3
156.05664	0.4
157.02875	0.5
157.06461	0.6
159.08003	0.2
161.02328	4.8
161.05940	0.4
161.09541	0.3
163.03886	5.3
164.04590	0.2
165.01804	0.4
165.05519	0.2
167.03389	29.5
168.03743	0.5
168.05719	0.8
169.06450	0.3
171.04434	0.6
171.07993	1.1
173.05946	0.2
174.03069	0.2
174.06729	0.7
175.03905	1.4
175.07521	0.7
177.05490	0.4
179.03342	0.7
180.04057	0.2
183.02887	0.3
184.05194	1.9
185.02473	0.2
185.04428	0.7
185.05971	0.8
188.04713	0.2
189.09071	1.1
193.04947	0.8
196.05194	0.3
197.04382	0.4
197.06039	0.3
199.03848	0.2
199.07530	2.5
201.05539	0.3
202.06190	0.9
203.03375	0.8
203.06981	0.8
205.04971	1.2
211.07549	0.7
212.04646	2.4
213.05443	0.7
216.04213	0.3
217.05188	0.2
217.08549	2.6
219.03001	0.2
219.06483	0.2
227.07007	5.7
228.07536	0.3
229.04951	0.3
230.05702	2.0
231.06493	2.0
237.03781	0.3
240.04158	4.8
241.04762	0.4
241.08568	0.5
243.06531	0.4
245.08080	12.4
246.08430	0.6
255.06500	12.3
256.06842	0.6
258.05316	1.0
268.03619	1.0
273.07587	2.1
283.05936	3.4
285.71768	0.2
286.04688	2.2
293.95630	0.2
301.07034	100.0
302.07352	3.7
302.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01869	0.7
55.05488	0.6
57.03401	0.4
58.99339	0.3
65.03928	0.6
67.05496	0.7
68.99785	1.0
69.03405	0.7
69.07066	0.5
70.30972	0.9
77.26328	0.3
79.05507	1.4
79.44601	0.3
81.03407	1.1
81.07045	0.9
83.01344	3.4
83.04958	0.9
89.03902	1.2
91.05490	1.6
93.03396	0.5
93.07031	0.8
95.04958	1.0
95.08569	0.7
97.02842	0.3
103.05469	0.3
105.03387	3.2
105.07017	3.1
106.07364	1.8
107.04935	1.7
107.08572	0.7
109.02847	0.7
109.10188	0.3
111.04417	0.9
115.05471	0.5
117.03361	0.3
119.08567	0.7
121.02827	0.4
121.10140	0.6
123.04395	0.8
128.06215	0.8
129.06989	0.7
131.04967	0.4
131.08611	0.4
133.02829	0.4
133.06578	0.3
133.10133	0.4
135.04411	2.5
135.11665	0.5
136.11232	0.5
137.02347	1.1
139.03889	0.4
141.01833	0.3
143.04973	0.4
143.08569	0.8
145.10115	0.6
147.04399	1.2
147.08043	0.5
147.11678	0.3
149.02356	0.3
149.09589	0.4
151.03911	0.9
153.07004	1.1
157.10133	0.4
157.56679	0.3
161.02306	3.9
161.05952	0.5
161.09648	0.4
161.13248	0.3
163.03891	4.9
163.11206	0.3
165.01863	0.9
165.05502	0.4
165.06886	0.4
167.03384	28.9
168.03729	0.7
171.08034	1.8
174.06781	0.5
175.03867	1.2
175.07529	0.5
177.05505	0.7
178.81360	0.3
179.03365	0.7
181.06447	0.9
183.02859	0.4
184.05191	0.9
185.04462	0.5
185.06013	0.5
185.11621	0.4
189.05472	0.4
189.09081	1.0
193.04893	0.7
197.04413	0.3
199.03813	0.4
199.07521	2.6
203.03342	0.5
203.06998	0.7
203.12589	0.3
205.04924	1.1
209.05940	0.6
211.07491	0.6
212.04680	0.4
213.05489	0.4
217.08574	2.0
226.06316	0.4
227.07011	6.3
228.07513	0.3
230.05646	1.6
231.06448	2.0
241.08508	0.7
243.06531	0.7
245.08078	10.8
246.08380	0.3
254.05713	0.5
255.06499	12.7
256.06891	0.4
256.20596	1.0
257.20911	7.1
258.05225	0.7
269.08179	0.6
273.07590	2.3
283.05994	4.4
286.04758	0.7
301.07040	100.0
301.23700	4.9
302.07388	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03945	0.8
55.01845	0.4
60.05140	0.3
62.73966	0.4
67.62817	0.3
68.99791	1.7
69.03390	0.4
69.38309	2.0
69.38721	1.2
75.81699	0.3
78.40668	0.3
79.05482	0.6
81.03400	1.3
83.01309	1.8
83.04971	0.6
89.03887	0.8
95.04944	0.8
105.03381	2.9
107.04939	1.1
108.71642	0.3
109.02842	0.6
118.96687	0.4
121.02868	0.3
123.04446	0.7
124.05215	0.6
128.06233	1.0
131.08533	0.3
134.24590	0.3
135.04408	2.5
136.02945	0.3
137.02356	0.8
143.08566	0.4
147.04445	0.8
147.07948	0.3
149.02368	0.5
151.03958	0.9
153.06944	0.8
157.06464	0.5
161.02328	3.5
161.06039	0.7
163.03893	6.0
165.01775	0.5
167.03395	27.3
171.08011	1.1
175.03888	1.2
177.05611	0.3
179.03339	0.9
181.06549	1.0
184.05243	1.1
185.05943	0.6
189.09081	0.8
193.04921	0.6
199.07596	2.9
203.03392	0.6
203.07079	0.6
205.04977	1.4
211.07614	0.5
214.06181	0.4
217.08632	2.5
227.07036	6.0
230.05786	1.5
231.06557	1.8
245.08081	12.6
246.08380	0.5
254.05640	0.5
255.06508	13.9
258.05148	0.4
273.07529	2.1
283.05951	4.2
285.03873	0.4
301.07047	100.0
302.07376	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	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
50.12690	0.3
53.03924	0.8
55.01852	1.0
55.05491	1.2
56.97074	0.4
57.03422	0.7
65.03934	0.6
67.01833	1.0
67.05497	2.4
68.99787	0.6
69.03412	0.6
69.07049	1.3
69.34406	0.6
69.34807	3.0
69.80685	0.4
70.78941	0.3
71.04974	1.8
79.05482	2.1
81.03400	0.8
81.07057	2.5
83.04971	0.5
85.02937	0.3
86.09702	0.4
89.03893	1.0
91.05456	1.9
93.07034	2.3
95.04930	1.2
95.08578	1.6
97.02940	0.4
97.06509	0.6
98.20790	0.6
105.03382	3.6
105.07027	1.7
107.04947	1.8
107.08585	2.6
109.02870	0.5
109.06489	0.9
109.10146	1.1
111.04427	1.5
115.05441	0.5
117.07019	0.6
119.08548	1.5
120.95927	0.3
121.06486	0.7
121.10114	1.4
123.04406	1.5
123.11707	0.4
128.06223	0.7
129.03342	1.2
129.06972	0.8
131.04904	0.6
131.08514	0.9
131.90924	0.3
133.10104	2.1
134.03612	0.6
135.04443	2.3
135.11655	0.7
137.02292	1.1
137.05969	0.4
139.00217	0.5
139.03860	0.5
145.10101	1.2
147.04378	1.0
147.11688	0.9
149.02371	0.4
149.13312	0.5
151.03885	1.3
151.11024	0.4
152.15126	0.4
153.01797	1.2
153.06978	0.5
156.05673	0.4
157.02838	0.4
159.11656	0.5
161.02342	4.1
161.05931	0.6
161.09634	0.6
161.13222	0.5
163.03905	5.6
163.11174	1.3
164.04716	0.4
165.01851	0.7
167.03391	25.1
168.03656	0.5
168.05692	0.8
169.06451	0.4
169.10167	0.4
171.04449	0.6
171.07999	1.2
173.13310	0.6
174.06757	0.4
175.03912	1.9
175.07541	0.4
177.05424	1.2
179.03377	0.7
181.06480	0.6
183.02861	0.8
184.05199	2.0
185.04509	0.9
185.05969	1.4
189.09111	1.1
196.05104	0.5
198.06784	0.5
199.07487	2.8
202.06183	0.6
203.03467	0.8
203.07060	0.5
205.04950	1.2
212.04718	2.7
213.05443	1.5
217.08542	2.7
226.06319	0.4
227.07019	5.2
229.04852	0.6
229.70395	0.4
230.05682	2.0
231.06537	1.6
240.04131	4.3
241.04907	1.6
241.08655	0.7
243.06660	0.5
245.08087	12.8
246.08589	0.5
255.06505	11.3
257.04395	0.4
258.05219	2.1
268.03601	1.5
269.04486	1.0
269.07932	0.4
273.03918	1.0
273.07550	2.4
283.05972	3.7
283.20480	0.4
285.03802	0.6
286.04651	3.6
301.07040	100.0
301.21500	1.3
302.04245	0.5
302.07361	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	300.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03929	0.4
55.05497	1.3
63.77170	0.3
67.05510	1.9
68.99781	0.5
69.07047	1.2
69.33131	0.5
69.33537	3.2
70.06573	0.4
79.05479	2.8
81.03397	0.7
81.07050	3.0
83.08618	0.5
86.00609	0.5
87.02685	0.4
91.05476	2.1
93.03379	0.4
93.07021	1.6
95.04954	1.2
95.08594	4.2
97.06547	0.5
103.05455	1.5
105.07017	50.7
106.07322	0.6
107.08596	0.9
108.02077	0.4
108.08093	0.9
109.10123	1.5
111.04436	0.7
117.06985	0.6
117.74123	0.4
119.08540	0.5
120.08106	1.0
121.10116	0.6
122.09620	1.2
123.04438	0.7
132.01112	0.7
133.10114	0.6
134.09625	0.7
135.04395	0.7
135.11652	0.7
136.11200	7.4
137.02298	0.5
137.05949	0.6
137.13217	0.9
139.03877	0.6
143.08408	0.4
145.02873	0.6
149.05943	1.0
149.11978	0.5
150.12724	2.4
151.03883	13.2
151.14804	1.0
152.14330	1.2
163.03845	0.4
163.64331	0.4
164.14328	1.4
165.01825	1.3
165.15089	0.7
167.03351	2.0
177.05376	1.8
179.14360	0.9
181.06500	0.6
183.02910	1.5
184.11201	3.5
186.12752	0.5
198.12820	0.4
199.13432	0.6
202.08983	2.1
202.12242	3.2
202.15900	2.4
212.14331	2.1
214.15991	0.6
226.15891	4.3
227.07007	1.0
227.16565	0.6
228.17332	1.0
241.08478	0.8
245.08044	0.9
251.04742	0.4
251.23976	0.4
254.19038	0.8
255.06494	1.0
256.20566	100.0
257.20837	3.1
258.05148	0.9
258.22131	0.9
267.66428	0.4
283.20401	0.4
285.03543	0.6
286.04654	1.1
286.08176	1.0
300.05896	2.5
300.23178	71.0
301.06989	11.8
301.10651	5.0
301.23538	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	301.0704
Annotation	alnusin
Peak:m/z	Relative Intensity
53.01909	0.3
53.03941	0.7
55.01869	5.2
55.05500	1.0
59.04987	1.4
65.03944	0.5
67.05496	0.9
68.99783	3.6
69.03421	0.7
69.07057	0.6
69.41416	0.3
71.52501	0.5
79.01856	2.6
81.03418	3.5
81.07045	1.1
83.04987	0.4
91.05466	0.8
92.99746	1.9
93.07027	0.8
95.08592	1.2
97.02879	1.4
99.00814	2.1
105.07014	0.7
107.04932	0.3
107.08607	0.5
109.02845	1.2
119.08544	0.3
123.04403	1.9
131.08566	0.3
137.02310	3.8
137.05968	2.0
141.01817	8.6
141.02910	0.7
145.10115	0.6
155.03392	1.2
163.03833	0.7
165.01820	68.3
166.02142	1.3
179.03410	1.4
183.02873	100.0
184.03197	2.5
185.13205	0.4
191.03391	2.9
206.04576	0.3
255.01778	1.3
258.05084	0.5
259.06055	1.0
273.02737	1.5
283.06107	0.8
286.04800	0.6
286.11807	0.4
301.07022	21.5
301.10077	0.9
301.14023	0.7
301.17548	0.5
301.21436	0.8
302.07385	1.0
305.50656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0701
Annotation	Ptaeroxylol
Peak:m/z	Relative Intensity
53.03942	0.5
55.01849	0.5
55.05500	0.4
56.50531	0.2
57.03425	0.8
65.03933	0.3
67.01846	0.9
67.05486	0.8
68.99780	0.8
69.03409	0.3
69.07050	0.8
69.40725	1.6
69.41133	0.4
71.04969	0.5
79.05479	1.8
81.03398	0.8
81.07040	0.9
83.04976	0.3
85.06485	0.2
89.03897	0.9
91.05460	0.7
93.07038	1.5
95.04967	1.0
95.08585	0.8
97.06524	0.2
98.21470	0.3
105.03387	3.0
105.07025	0.6
107.04943	1.6
107.08558	0.6
109.02885	0.7
109.06475	0.4
109.10139	0.2
111.04431	1.3
111.11681	0.4
114.49032	0.2
115.05458	0.2
117.07027	0.5
119.04910	0.3
119.08531	0.5
121.02875	0.2
121.06479	0.5
121.10131	2.7
123.04429	1.3
124.01561	0.2
125.02343	0.5
128.06219	0.6
129.03343	0.9
129.06976	0.5
130.06517	0.3
131.08549	0.6
132.05722	0.3
133.02866	0.4
133.10121	0.3
134.03610	0.6
135.04387	2.0
135.11676	0.9
137.02319	0.8
139.03915	0.6
139.11148	0.9
141.05441	0.3
141.07021	0.2
145.06516	0.2
145.10107	0.4
147.04355	0.5
148.03986	0.4
149.02261	0.3
149.05940	0.3
150.03047	0.3
151.03883	0.9
152.01080	0.3
153.01784	1.0
153.06967	0.3
156.05710	0.4
157.02753	0.4
157.06480	0.4
158.06000	0.4
158.07166	0.3
159.11653	0.2
161.02318	3.7
161.05908	0.5
163.03894	4.0
163.11224	1.0
164.04662	0.4
165.05484	0.4
167.03387	22.6
168.05675	0.6
169.06461	0.2
171.04399	0.6
171.08018	0.9
174.06833	0.4
175.03940	1.1
175.07524	0.7
177.05458	0.5
179.01642	0.2
179.03323	0.3
181.06439	0.4
181.12186	0.5
184.05185	1.8
185.04475	0.4
185.06006	0.8
185.11653	0.3
186.06659	0.2
188.04671	0.3
189.09120	0.7
193.04930	0.5
197.06029	0.3
199.07590	2.1
202.06201	0.6
203.03456	0.4
203.06943	0.8
205.04936	0.9
211.07513	0.5
212.04695	2.2
213.05400	0.8
217.04967	0.5
217.08536	1.9
226.06377	0.2
227.07019	4.3
227.12798	0.4
229.04913	1.0
230.05701	1.9
231.06483	1.2
240.04149	3.3
241.04836	0.5
243.03038	0.2
243.06436	0.3
245.08081	8.4
245.13704	2.2
246.08412	0.2
255.06487	9.5
257.04489	0.3
258.05219	9.7
259.05746	0.3
268.03683	1.0
269.04471	0.5
273.03900	0.8
273.07538	1.8
283.05945	2.7
284.06412	0.3
285.03848	0.8
286.04688	14.0
287.05106	0.3
301.07028	100.0
302.07373	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	299.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75641	1.0
53.03939	2.0
55.01859	4.6
55.05502	2.6
56.85904	1.1
57.07077	1.4
59.04985	2.3
60.27040	1.2
65.03906	1.8
67.05479	5.1
68.99769	3.4
69.03088	1.2
69.03432	3.4
69.07053	2.2
69.18272	1.5
70.06573	3.5
70.32780	4.7
71.04979	2.6
71.36834	1.1
72.08135	1.3
73.38784	1.2
79.05470	5.5
79.49970	1.1
81.03406	7.1
81.07047	5.4
83.01343	1.7
84.08105	2.4
85.02877	4.5
85.06544	1.5
86.09693	3.3
91.05447	7.5
93.03382	3.5
93.07029	3.7
95.04934	7.6
95.08581	3.7
97.06506	2.6
99.04436	2.6
105.07001	4.7
107.04958	6.1
107.08579	2.3
109.02844	4.2
109.06509	3.8
109.10155	2.6
111.04426	4.2
117.07027	1.5
119.04900	2.4
119.08561	3.9
120.08065	1.2
121.02863	8.0
121.06486	1.6
121.22347	1.2
123.04405	5.1
123.08096	1.7
123.71162	1.3
125.05973	2.7
127.03876	4.5
128.06149	2.1
129.06976	1.6
131.08534	1.7
133.01587	1.6
133.06493	1.3
133.10139	2.1
135.04398	5.5
135.08029	2.1
137.02327	46.8
137.03354	1.9
137.05925	4.8
139.03905	2.3
145.06450	2.6
147.04361	3.2
147.08165	1.5
149.02333	11.5
149.05974	3.4
150.03104	2.0
151.03879	2.4
153.05426	7.2
155.03383	2.4
157.06441	1.6
159.08061	2.0
161.05978	2.9
161.09628	1.6
163.03877	13.0
165.01817	3.4
165.05440	3.6
166.02599	8.2
167.03333	1.7
169.04955	4.2
172.27344	1.3
173.05907	1.2
175.03937	3.6
175.07570	3.9
177.01826	3.5
177.05457	3.3
177.09203	1.5
179.03336	2.9
181.03401	2.5
181.04950	38.7
181.06540	2.1
183.02911	3.5
183.06619	1.5
185.04369	1.7
185.05923	2.4
189.05487	2.8
189.09047	1.9
191.03358	6.0
191.07021	11.8
193.04941	10.6
193.08568	1.5
194.02084	8.8
195.02792	6.0
195.06474	2.5
195.10172	2.0
201.05455	1.6
203.03326	2.3
203.06956	4.3
205.04948	3.2
206.02022	1.4
207.09979	1.5
208.03682	4.2
209.04427	100.0
209.07959	3.9
210.04851	1.8
213.05469	2.8
215.03424	2.1
217.08553	3.5
220.07343	2.1
221.04359	1.3
221.08037	4.0
223.06091	3.0
223.09628	9.8
231.06552	2.3
233.04391	8.2
235.09630	9.1
245.08156	2.3
248.06778	1.5
253.10658	12.3
263.09134	26.0
266.07785	7.4
281.10165	59.5
282.10623	1.4
299.05637	18.7
299.11282	17.1
299.19870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	21.1
53.03928	4.1
55.01854	6.7
55.05503	56.1
57.03429	36.9
57.07057	4.3
59.05003	10.2
67.05496	30.9
69.03411	5.1
69.07054	7.9
69.36540	16.7
71.01331	7.4
73.02897	2.9
78.94490	2.0
79.05477	25.6
81.03410	15.8
81.07047	49.3
83.04970	7.9
83.08610	37.0
85.06537	3.4
91.05473	48.7
93.07041	43.9
94.37257	2.0
95.04974	11.4
95.08609	14.1
97.02872	14.3
97.06512	8.2
97.10139	5.9
99.00805	65.3
103.05446	6.4
105.07016	47.6
107.04946	17.3
107.08587	20.0
109.02866	22.7
109.06496	8.1
109.10161	14.4
111.04430	3.1
111.08059	9.1
115.03918	7.1
117.06986	9.7
119.04953	2.1
119.08573	25.5
121.06493	28.3
121.10130	2.9
123.04424	7.7
123.08051	4.0
123.11681	5.0
127.03886	15.7
128.06221	5.5
131.08522	5.0
133.06468	6.0
133.10114	100.0
134.10455	2.5
135.08025	5.1
135.11668	3.6
137.05952	5.4
137.09615	4.7
139.07530	12.7
143.08508	15.4
145.06465	3.3
145.10101	4.4
147.08055	3.4
151.11162	35.2
159.11678	2.7
160.07600	2.3
161.09601	62.7
163.11128	2.5
165.09108	4.2
171.08052	10.3
179.10641	38.4
189.09096	37.5
197.11716	12.2
207.10106	14.2
225.11163	45.7
225.43034	2.2
243.12244	6.4
284.06378	2.3
299.05463	5.1
299.09628	3.4
299.14856	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	299.1615
Annotation	Iso-Olomoucine
Peak:m/z	Relative Intensity
53.91509	1.0
55.05499	2.9
60.04510	1.6
67.05486	2.7
69.07046	1.3
69.23384	3.7
69.23808	7.8
71.37249	1.1
75.27525	1.0
78.80663	1.0
81.07029	4.6
83.04980	1.0
83.08598	1.6
83.73423	1.1
91.05488	1.7
93.07047	1.2
95.08607	2.5
97.63374	1.1
105.07005	2.5
107.08554	2.2
109.10108	2.5
119.08556	1.9
131.08519	1.2
133.10098	2.0
143.08517	1.2
145.10097	1.5
147.11729	1.3
157.09969	1.3
195.06477	1.6
230.88693	1.0
281.26627	3.1
284.03250	1.5
299.05490	9.2
299.09027	2.9
299.16150	100.0
299.19751	4.4
300.16476	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	299.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85794	1.0
53.03932	2.5
55.01863	6.6
55.05503	1.3
57.07078	1.0
59.04987	3.5
65.03934	3.3
67.01851	1.1
67.05500	3.6
68.99799	2.0
69.03416	3.8
69.07057	2.9
69.32700	2.2
69.33112	7.4
70.06570	3.2
70.76797	1.1
71.04976	2.9
72.08157	1.5
79.05477	4.2
81.03407	2.1
81.07043	4.5
83.01318	1.9
83.04964	3.1
84.04489	1.2
84.08147	2.2
85.02898	2.6
85.06541	1.1
86.09693	3.6
89.35867	1.0
91.05466	4.7
93.03399	4.3
93.07047	3.1
95.04971	5.2
95.08608	2.3
97.02859	1.4
97.06515	2.3
99.04480	1.0
105.03344	1.0
105.07016	2.8
107.04941	4.0
107.08581	1.4
107.19818	1.0
109.02867	2.3
109.06508	3.5
110.07117	1.0
111.04410	1.3
112.09943	0.9
116.24508	0.9
117.07034	1.3
119.04926	2.9
119.08577	3.8
121.02845	6.1
121.06522	1.8
123.04410	6.0
125.02345	1.1
125.05962	2.9
125.09703	1.2
127.07527	1.1
128.06215	2.0
129.07011	2.3
131.08539	1.8
133.10150	1.1
135.04405	4.0
135.08054	1.3
137.02322	11.3
137.05991	3.4
139.03909	2.6
139.63287	1.0
143.08530	1.5
145.06458	2.2
147.04410	3.7
147.08025	2.8
149.02321	15.4
149.06003	2.7
149.09596	1.7
151.03905	2.7
153.05444	8.3
157.06444	2.7
161.05959	2.2
163.03914	8.5
163.07617	1.0
165.01823	1.6
165.05435	2.3
166.02606	9.4
167.03435	2.1
169.04941	7.1
171.07990	1.1
173.02472	1.0
173.06029	1.3
174.06747	0.9
175.07549	4.0
177.01852	3.2
177.05438	1.9
177.09061	1.6
179.03433	2.5
181.04939	47.6
181.06540	2.5
183.02911	1.4
185.05960	2.1
189.05510	1.5
189.09077	1.8
191.03424	1.9
191.07007	8.9
193.04930	8.5
193.08630	3.0
194.02086	11.3
195.02930	6.8
195.06418	1.1
195.10211	1.3
203.07036	4.4
205.04906	3.4
208.03711	4.2
209.04431	100.0
209.07893	2.7
211.05956	1.3
213.05507	2.3
215.06862	1.1
217.08598	2.4
221.04428	1.9
221.08046	2.9
223.06067	1.9
223.09634	9.5
231.06487	2.4
233.04459	7.4
233.08148	2.0
235.09656	9.9
245.08148	1.3
248.06877	2.4
253.10739	12.6
263.09140	22.8
263.11993	1.1
266.07840	8.6
281.10178	53.9
299.05878	8.0
299.11322	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	299.0911
Annotation	Isoneobavachalcone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01862	4.6
55.05503	0.5
57.03413	0.4
57.07062	0.3
65.03932	1.8
67.05499	3.8
68.99776	2.8
69.03408	0.8
69.07045	0.3
69.89512	1.2
69.89925	0.5
70.27483	0.3
72.04504	0.6
79.05454	0.6
81.03404	0.7
81.07038	1.0
83.01334	14.1
83.04977	0.5
85.33971	0.3
91.05472	0.7
93.03391	2.0
93.07039	0.9
95.04960	5.3
95.08598	0.7
98.21408	0.6
99.00803	1.8
105.03360	2.0
105.04484	0.4
105.07053	0.3
107.01312	2.2
107.04938	2.8
109.02849	1.1
111.04442	0.3
119.08579	0.7
121.06487	2.8
123.04436	2.8
125.02343	0.4
126.71515	0.3
127.03896	0.8
133.02811	0.6
135.04385	0.3
137.02304	4.1
141.01811	7.8
141.02899	0.4
151.03885	9.9
155.03381	4.7
169.04919	3.1
177.05470	0.5
179.03371	100.0
180.03697	2.1
183.11581	0.4
193.04893	2.3
195.06496	1.2
197.04431	95.5
198.04779	1.6
205.04933	4.7
213.07607	0.3
257.08096	0.8
299.05609	1.2
299.09091	24.6
299.12274	0.8
299.19995	0.9
299.23529	0.5
300.09393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1122
Annotation	Sarkomycin D
Peak:m/z	Relative Intensity
51.09727	2.4
53.00303	3.8
53.03922	3.7
55.01630	3.7
55.01868	46.8
55.05510	15.9
56.87388	2.7
57.03418	7.6
65.03915	5.2
67.05498	36.8
68.10255	2.7
68.99773	18.4
69.03423	18.7
69.07055	6.7
69.87191	4.6
69.87604	9.7
70.06580	4.8
71.01329	6.5
71.04977	5.0
79.01855	6.6
79.05486	50.3
81.03409	9.0
81.07046	23.2
83.01353	5.4
83.04958	9.7
84.04461	3.3
85.02898	15.3
86.09682	4.0
91.05474	25.4
93.07027	20.8
95.04966	53.6
95.08607	5.7
97.02882	8.8
97.06525	10.7
99.00812	5.2
99.04433	5.3
103.05447	5.6
105.07021	17.1
107.04941	49.9
107.08573	9.8
109.02845	6.9
109.06511	18.2
109.10181	2.9
111.04427	10.3
113.02335	3.8
115.03931	5.4
115.05415	4.8
115.85957	2.4
116.07079	3.0
117.06998	10.6
119.04944	8.9
119.08598	20.2
121.02878	5.9
121.06490	23.9
121.10146	4.2
123.04383	17.6
123.08065	4.5
125.02304	7.6
125.05950	6.9
127.03896	10.5
128.06216	7.5
129.07005	7.5
131.04866	3.3
131.08566	8.3
133.06458	10.1
133.10129	6.9
135.04361	18.2
135.08049	9.7
137.02316	20.2
137.05957	10.6
137.09659	3.1
139.03912	13.1
141.01788	10.9
141.05463	8.0
141.07042	4.3
143.03381	7.7
143.08559	6.5
145.06511	13.5
147.04385	4.9
147.08038	14.3
149.05934	25.0
149.09631	3.7
151.03854	5.2
151.07515	6.8
153.05464	9.0
155.03363	5.9
155.07013	4.7
155.08382	3.4
157.04962	27.7
157.06192	4.8
159.04343	4.6
159.08034	6.7
161.05960	16.6
161.09605	5.2
163.03912	8.1
163.07520	12.1
165.01781	8.7
165.05444	13.6
167.03397	7.0
167.10558	2.9
169.04948	32.0
171.02925	6.0
171.08098	6.8
173.05984	16.1
173.09624	3.5
175.03987	4.3
175.07516	20.3
177.05409	17.9
177.09094	12.3
179.07001	8.8
183.02875	7.2
185.04436	9.4
185.05908	3.2
187.07477	13.3
189.03859	4.2
189.05489	4.7
189.09041	10.2
189.10567	2.8
191.07031	33.5
193.04936	12.3
193.08549	24.5
195.06433	7.8
195.10170	17.8
199.07535	10.1
201.05423	3.2
201.09068	7.3
203.07019	10.6
205.04855	3.6
205.08556	11.3
207.10181	7.0
209.08060	23.3
210.64252	3.2
211.05981	8.1
211.09480	4.2
215.06952	19.5
217.08667	15.2
221.08064	68.0
223.05933	3.7
223.63985	2.7
227.07008	6.1
229.07089	10.3
233.08061	47.8
235.09639	18.7
239.09120	11.5
245.08023	29.8
251.09131	13.1
253.10712	4.1
263.09113	100.0
271.06039	7.8
281.10190	46.8
281.13211	5.0
299.05597	76.0
299.11359	46.2
299.20239	6.1
300.06119	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	299.0546
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.00269	0.1
53.03924	0.1
55.01865	3.5
59.04974	0.4
59.95619	0.1
60.04504	0.1
65.03918	0.2
66.89232	0.1
67.01872	0.2
67.05484	0.2
68.99438	0.2
68.99775	1.7
69.01563	0.1
69.03407	0.4
70.04855	0.4
79.01830	0.9
79.05463	0.2
81.03400	1.3
81.07004	0.1
83.25105	0.1
89.03883	0.3
91.05472	0.1
92.99743	0.5
95.04958	0.1
97.02867	0.7
99.00806	0.9
105.07009	0.3
109.02847	0.6
113.02325	0.2
113.65364	0.1
117.01897	0.1
117.03348	0.2
119.08558	0.3
121.02867	0.1
123.00745	0.9
127.03876	0.2
133.10062	0.2
135.03400	0.2
135.04391	2.5
137.02319	8.5
137.03362	0.4
141.01801	8.4
145.10095	0.2
147.00763	0.2
154.72237	0.1
155.03310	0.4
155.56723	0.1
157.10094	0.1
161.09473	0.1
163.03865	0.4
165.01805	40.0
166.02153	0.4
183.02855	23.6
184.03159	0.3
203.03407	0.2
221.04413	0.3
249.21024	0.1
255.29904	0.1
271.05896	0.4
281.18951	0.1
299.05441	100.0
300.05795	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	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43402	1.3
56.96557	28.0
57.03427	2.1
61.01141	5.6
61.02904	3.3
64.78510	1.1
68.00893	1.0
69.03408	5.6
69.80410	6.9
70.06572	5.2
71.01321	1.3
71.95247	3.9
72.08131	2.7
73.02904	2.2
74.97586	1.6
75.02699	1.7
79.75307	1.1
84.04485	2.9
84.08139	5.9
84.95945	1.2
85.02902	9.5
86.09698	2.3
89.03924	1.6
91.05492	2.5
92.05767	1.5
95.04933	1.5
97.02893	5.7
98.20842	1.5
98.97566	87.6
99.04471	1.4
102.05528	1.1
107.04945	2.4
109.02857	1.6
110.07146	5.0
110.97575	1.7
116.07127	1.3
116.98604	84.9
118.06535	2.6
119.01870	4.3
121.07616	1.5
122.07092	1.6
127.03881	2.6
128.13940	1.2
128.69977	1.4
128.98586	2.7
130.93259	3.2
133.03510	1.4
134.99634	60.8
135.04361	3.1
136.06163	85.4
136.07445	3.1
137.07884	2.7
140.00171	2.6
142.06160	1.3
145.03079	1.8
145.04987	1.8
146.99573	3.3
148.08664	2.3
148.94440	1.2
153.00642	9.2
158.01219	3.5
159.66533	1.1
161.02942	1.7
163.03957	4.9
165.00616	1.5
165.08916	1.7
166.07239	12.4
166.09695	2.5
172.94279	2.9
174.00644	1.2
176.07605	3.6
177.00633	1.3
177.02086	1.4
178.09656	2.3
184.08334	1.2
188.07648	3.9
189.00670	1.4
190.47966	1.4
190.95398	9.1
191.02269	1.8
193.10817	15.8
195.04152	2.1
208.96474	5.8
214.95410	1.8
219.01672	1.4
232.96388	12.0
233.01494	3.1
239.11378	20.2
250.97498	10.4
251.02457	7.9
256.96436	12.0
272.00983	1.5
273.99100	1.6
274.97461	100.0
280.11713	1.9
292.98511	86.9
293.03287	11.1
297.99109	6.8
298.18539	6.8
310.99930	1.7
314.10315	1.3
315.99887	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.99525	0.2
57.80414	0.2
61.01145	4.6
69.03423	0.5
70.74295	0.8
71.94910	0.2
75.02699	2.8
80.03757	0.2
80.78358	0.3
91.91423	0.2
94.04050	0.3
97.02878	1.3
103.02193	0.3
104.54794	0.2
116.78034	0.3
119.03533	0.8
119.58444	0.3
120.04464	0.3
136.06174	100.0
137.06543	0.7
145.03183	1.5
146.05948	0.4
163.04321	1.3
298.09677	2.9
298.12778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
55.05487	0.8
55.45680	0.7
57.03410	2.6
61.01147	4.5
61.02930	3.7
65.03915	0.8
67.05492	1.8
69.03426	4.9
69.07085	0.9
69.47768	6.4
70.06586	1.7
71.04967	0.8
72.04499	1.8
72.08159	1.3
73.02904	1.7
75.02682	2.5
79.05466	1.8
81.03407	2.5
83.04961	0.8
84.04512	0.9
84.08129	2.0
85.02899	15.0
85.03388	0.7
86.09704	4.0
91.05468	2.7
91.78151	0.7
92.04988	2.8
93.05792	0.8
94.06544	9.0
95.04970	2.8
97.02873	5.9
97.06544	0.7
98.21465	1.7
99.04409	1.7
103.03933	2.7
103.05391	0.9
104.58232	0.8
105.07035	1.0
106.06538	1.7
107.04944	1.3
107.08630	0.9
109.02881	2.2
109.06516	0.9
110.07132	1.2
111.04434	2.8
115.05453	1.2
117.05751	3.5
117.07035	0.8
118.06525	13.2
119.03490	1.0
120.04454	33.4
120.08080	6.1
121.08432	4.0
123.04423	4.9
127.03909	2.7
130.06506	8.6
130.39223	0.9
132.04460	2.3
132.08076	17.4
134.06042	0.8
136.06171	100.0
136.07542	17.5
137.02341	2.1
139.03893	8.8
139.07527	1.5
141.05457	1.1
144.08061	2.3
145.02998	1.1
146.05991	50.0
147.04323	0.9
148.07590	3.8
150.05597	1.3
151.03844	3.9
151.07501	1.0
156.08086	2.4
158.06062	2.9
159.06757	1.5
160.07571	32.0
163.04201	1.4
164.07140	0.9
169.04944	1.7
170.05914	0.8
170.09616	1.0
172.07564	8.9
177.05443	1.4
178.08559	1.4
181.08626	2.7
183.06790	1.1
184.07480	4.3
186.09065	1.6
190.08534	1.3
196.07433	1.2
198.09109	3.4
199.09633	4.4
202.08636	2.4
203.03407	1.0
214.08624	4.8
220.09772	0.9
226.08972	4.0
226.10408	3.9
232.09714	2.1
238.10745	3.2
244.09834	3.5
256.11801	1.7
262.10715	4.6
266.55392	0.8
273.97369	0.7
280.11807	6.9
298.09821	2.2
298.12851	32.8
298.16476	1.9
299.05338	1.8
300.06277	1.0
302.25620	0.8
314.55304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1332
Annotation	Zedoarolide A
Peak:m/z	Relative Intensity
53.03944	1.0
55.01860	0.9
55.05492	2.6
57.03427	1.9
63.52274	0.7
67.05489	3.8
68.99754	0.9
69.03410	2.2
69.07065	1.5
70.06577	1.2
70.83819	2.1
71.04984	2.2
71.84399	0.7
75.04453	2.3
79.05487	3.4
80.56642	0.7
81.03415	1.1
81.07040	2.7
83.01340	0.9
83.04956	3.3
84.04494	0.8
91.05434	3.6
91.67151	0.6
93.07046	5.4
95.04962	4.9
95.08601	5.4
97.06525	1.4
101.06014	1.0
103.05428	1.5
105.07026	10.4
107.04967	4.5
107.08584	2.2
109.06504	1.1
109.10139	1.4
115.05463	1.4
117.07021	2.8
119.04934	1.1
119.08561	2.1
120.05708	1.2
121.02843	1.1
121.06509	5.6
121.10094	1.0
122.74454	0.8
123.04425	6.9
123.08096	1.4
124.05192	1.7
125.06021	1.3
125.09695	1.1
129.06978	0.9
131.08511	1.0
133.06476	8.9
135.04399	1.9
135.08041	1.8
136.06216	1.1
137.05983	2.2
145.06396	1.5
145.10097	1.4
147.04410	1.7
148.05151	2.9
149.02344	0.9
149.05983	4.5
149.09621	0.8
151.03908	3.0
151.07561	3.7
152.04681	1.7
153.05487	1.5
153.09134	0.8
159.04404	0.9
161.05992	8.1
163.03932	1.0
163.07524	2.5
165.05515	2.7
165.09134	2.3
166.06238	3.3
173.09608	1.4
175.03951	2.6
175.07559	1.5
176.04704	2.1
176.08383	0.9
177.05511	8.8
177.09103	1.1
179.03406	2.1
179.07076	2.8
180.04268	1.2
181.04950	6.0
181.08589	1.7
187.07523	2.1
189.05431	6.1
190.06277	4.1
191.06998	2.6
193.04979	3.3
193.08623	8.1
194.05728	15.4
194.07387	1.5
196.07339	2.4
197.07996	1.8
201.09148	2.4
203.07076	2.4
205.06636	1.0
205.08559	2.5
207.08119	1.4
208.07272	1.2
209.08073	100.0
210.08434	1.5
213.05481	2.6
217.08556	0.9
218.09435	0.8
219.06549	0.9
219.10257	1.1
221.08075	43.0
222.08533	1.0
223.09601	4.5
229.08609	3.3
230.09340	1.7
231.06485	6.8
233.08054	2.6
233.11710	1.9
235.07452	1.6
237.11153	1.3
245.08008	1.1
246.08827	6.6
247.09578	2.7
248.10149	1.0
249.11195	1.5
261.11185	24.1
264.09616	0.8
279.12247	7.2
297.04352	1.2
297.07605	3.6
297.13315	49.8
298.13397	1.1
299.06180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82195	1.2
53.43572	1.2
53.71186	1.0
56.96566	14.4
58.91437	1.1
70.75181	3.2
70.95849	1.1
71.95255	2.1
87.49596	1.3
98.97574	100.0
116.98612	67.1
119.01891	2.8
130.93217	1.5
134.98654	2.0
134.99641	30.2
140.00204	1.5
153.00665	3.3
154.56960	1.4
155.99727	1.4
158.01222	1.4
164.24620	1.1
172.94333	4.4
174.00665	1.7
177.00931	4.6
179.00862	1.2
190.95381	6.7
192.98741	1.4
207.24892	1.1
208.96220	3.7
214.95435	1.7
216.98668	1.8
219.02036	13.0
220.02080	1.8
232.96443	9.8
234.99747	4.8
235.99956	2.7
250.97334	7.6
256.96347	12.8
261.02994	15.1
274.97470	75.2
275.04431	2.3
292.98511	67.4
298.97928	1.4
310.93002	1.2
316.00085	2.4
316.98676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1241
Annotation	CHEBI:73427
Peak:m/z	Relative Intensity
55.01862	3.7
56.96558	54.9
57.03438	5.8
60.04526	4.4
61.02916	7.3
62.85163	1.9
69.03424	15.4
70.02948	18.1
70.06573	10.7
70.37408	8.0
71.95277	2.5
72.08146	8.2
73.02902	8.3
74.06058	4.0
74.97640	2.0
78.47803	2.0
81.03410	6.4
84.04491	9.4
84.08141	21.6
84.96009	2.7
85.02907	23.2
85.04021	100.0
86.09715	10.6
87.04472	3.4
87.05582	58.3
88.03984	3.4
91.05454	23.1
93.34332	2.5
95.04967	14.3
97.02874	9.9
97.27360	2.1
98.02389	10.6
98.97568	35.5
99.04474	4.7
101.51021	2.2
103.05453	3.0
105.03365	3.2
107.04948	79.1
107.69486	2.3
109.02849	5.0
110.07130	6.8
110.97556	5.2
112.07584	2.3
115.02578	2.4
116.07082	4.8
116.98618	34.2
119.01868	4.7
119.04932	55.1
121.06518	4.8
123.04421	64.0
123.05324	3.3
127.03918	8.4
128.98598	7.0
129.10226	9.8
130.93295	2.9
134.01190	2.4
134.05978	4.5
134.99646	25.5
135.04405	5.6
136.06087	4.4
136.07568	73.8
137.04576	2.2
137.05882	3.1
137.07846	2.5
139.03938	3.2
140.07022	4.7
145.02786	2.6
145.06454	5.0
146.06015	15.8
146.99643	7.0
147.04401	26.5
149.05910	2.6
153.00684	6.2
155.99611	5.0
158.99664	6.1
160.07506	3.5
161.01254	4.7
161.02763	3.1
163.03874	9.9
163.08676	6.7
165.00681	2.9
165.05466	57.7
170.05913	4.9
170.99634	3.6
171.04559	2.3
172.94212	4.4
173.05952	5.8
174.00722	10.2
174.05501	2.8
174.99113	6.2
177.00708	8.1
177.02184	2.2
182.08090	27.4
187.04337	2.4
188.07022	14.3
189.00609	3.6
190.95401	7.7
191.08171	12.1
193.00195	6.6
193.09705	2.8
197.01341	2.6
198.05478	31.3
201.00711	6.1
201.04263	2.9
205.00142	3.6
205.09673	3.2
208.96414	7.8
211.02881	2.8
216.06551	76.2
219.01810	6.2
220.96449	2.4
223.00969	2.4
225.05807	2.2
227.02209	4.1
229.00031	2.3
232.96309	4.2
233.09294	10.9
237.02794	7.1
237.08676	53.5
245.03163	3.5
248.95871	2.6
250.11871	16.5
250.97484	3.5
251.09612	2.1
255.01540	4.4
255.03952	3.0
261.08716	15.1
262.07086	74.4
266.99918	4.2
272.95718	3.3
273.02856	4.8
278.11368	3.4
279.09747	23.2
283.02960	4.3
290.97000	9.0
291.03906	5.0
295.97552	5.7
296.12146	3.5
299.06024	6.7
313.98477	19.3
314.16446	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.38972	2.4
53.03936	9.7
55.01861	8.7
55.05508	50.0
57.03425	4.6
57.07072	5.9
65.03943	3.4
67.05499	100.0
69.03424	3.0
69.07054	29.0
69.87779	14.9
71.04989	4.4
71.08622	46.1
79.05486	49.2
80.65350	2.4
81.03411	23.1
81.07047	59.4
83.04972	12.1
83.08609	30.7
85.06554	4.4
91.05468	32.0
93.06481	5.1
93.07038	54.8
93.07634	3.7
95.04941	17.5
95.08598	30.1
97.06525	10.4
97.10146	30.9
99.08092	38.5
105.07017	21.4
107.04945	7.2
107.08578	37.3
109.06517	4.1
109.10143	28.7
111.08073	5.7
117.07017	7.7
118.35310	2.3
119.08569	20.5
121.06488	3.8
121.10136	23.4
123.08047	5.8
123.11705	4.8
125.09619	26.2
129.06973	4.1
131.08562	9.1
133.10106	15.2
135.08038	3.7
135.11667	19.4
137.05957	13.9
137.09543	3.6
138.06348	10.7
139.07542	3.8
141.09200	2.7
141.12729	3.3
143.08643	5.0
145.10094	12.9
147.11658	14.1
149.13271	13.9
151.11147	44.7
153.09126	3.0
157.10114	3.1
159.11652	4.2
161.13257	21.1
163.11176	15.3
163.14833	5.8
165.12717	6.3
171.11678	5.6
173.13211	5.5
175.11516	2.3
175.14871	5.6
177.01834	4.6
177.12769	3.3
179.14317	13.3
185.13333	5.0
189.11209	19.7
189.12633	4.3
221.15352	3.6
231.20937	3.6
235.16962	3.6
241.19490	9.7
259.20569	13.5
277.21597	86.1
293.75861	2.5
295.05966	23.2
295.22885	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	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.45495	3.6
53.03940	7.6
54.48795	3.5
55.01869	57.5
55.05505	82.4
55.07468	3.5
57.03428	8.6
57.07066	12.5
67.05495	84.1
69.03428	6.6
69.06732	4.5
69.07063	49.2
70.77789	12.5
71.05007	8.1
71.08630	23.6
73.59761	3.4
79.05481	65.8
81.03408	8.1
81.07049	100.0
83.04974	23.7
83.08598	40.9
85.06539	7.5
85.10144	5.2
86.29269	3.7
91.05463	48.2
93.07032	92.3
95.04961	25.7
95.08596	54.6
97.06523	13.5
97.10162	21.9
99.08096	17.2
102.20791	4.1
105.07015	40.7
107.08592	38.2
108.76870	4.2
109.06513	12.5
109.10149	20.7
111.08066	68.4
113.09622	5.5
117.07001	14.3
119.08569	24.0
121.10122	27.8
123.11651	7.5
125.09615	13.0
129.07034	9.2
131.08554	12.2
133.06454	3.8
133.10129	45.3
135.11688	26.2
137.09615	8.3
139.11131	10.5
143.08627	3.6
145.10118	4.8
147.11716	25.3
149.09645	10.1
149.12172	3.6
149.13213	24.1
151.11159	17.2
153.12706	5.1
157.10143	6.2
159.11699	13.3
161.13303	9.1
163.11162	7.3
165.12718	19.5
171.11687	5.9
175.11259	4.8
175.14763	7.2
177.12788	6.3
179.14264	10.5
186.68999	3.8
189.11185	6.5
193.12375	8.9
195.13852	6.4
221.15303	6.9
241.19470	7.1
249.22112	6.9
259.20633	16.9
277.21613	97.0
295.22659	66.8
310.37451	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	7.7
55.05503	17.9
57.03421	1.7
57.07064	1.8
65.03920	1.8
67.05497	31.3
69.03415	2.0
69.07065	14.2
71.04993	3.3
71.08616	1.6
71.52954	1.5
79.05488	15.3
80.05817	1.4
81.03408	2.2
81.07043	34.2
82.07403	2.1
83.04968	3.5
83.08611	10.8
85.06530	2.2
91.05471	11.5
93.07032	17.4
94.04177	2.2
95.04983	2.6
95.08601	22.3
97.06522	9.3
97.10152	6.9
99.08080	2.7
105.07016	8.8
107.04929	1.9
107.08581	9.6
109.06502	3.0
109.10133	13.5
111.08067	4.1
117.07017	1.6
119.08586	6.3
121.06483	1.2
121.10136	10.7
122.03651	6.8
123.03931	5.4
123.08003	1.8
123.11706	7.5
123.54190	1.1
124.12035	2.0
125.09613	5.7
129.06969	1.8
131.08580	2.5
133.10129	6.3
135.08072	1.6
135.11664	8.2
137.05959	100.0
137.09610	2.6
137.13194	1.1
138.06296	82.9
139.11177	4.0
145.10077	2.4
147.11632	6.3
149.13303	5.0
151.11192	3.3
153.12851	1.4
157.10089	1.9
159.11618	2.5
159.15744	1.3
161.09673	1.2
161.13263	2.6
163.11113	1.5
165.12784	2.7
169.10095	1.2
171.11734	1.5
171.15681	1.9
173.13211	1.0
175.11217	1.2
175.14778	2.0
179.14334	1.8
184.07384	1.9
189.11212	2.2
189.12769	1.1
195.13947	1.3
203.12683	1.9
241.19518	1.8
245.45140	1.2
259.20569	5.6
277.18613	0.9
277.21603	22.4
295.09607	1.1
295.22867	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	20.3
54.08149	2.6
55.01852	7.1
55.05505	26.4
57.03424	4.1
57.07055	10.0
65.05638	2.9
67.05180	4.3
67.05503	58.7
69.03397	3.7
69.07067	44.4
69.27568	31.4
70.37209	3.1
71.04993	4.6
71.08617	4.4
79.05064	4.1
79.05485	41.3
81.03414	75.0
81.07052	53.4
83.04983	20.4
83.08605	16.8
85.06541	3.3
91.05483	26.8
93.07034	41.5
95.04967	47.4
95.08595	26.0
97.06505	4.5
97.10150	11.5
105.07029	30.7
107.08595	34.6
109.06497	13.9
109.10140	17.5
111.08043	6.4
117.07027	4.9
119.08581	15.4
121.10120	11.6
123.08064	3.1
123.11681	7.1
125.09597	12.0
129.06947	7.2
131.08549	8.5
133.06430	3.2
133.10135	20.2
135.08080	5.3
135.11678	10.2
147.11679	19.4
149.13240	12.2
151.05344	2.9
151.11165	40.9
153.09160	5.0
159.11668	4.9
161.13242	21.7
163.14799	6.9
165.12746	8.8
171.11681	5.4
172.03812	3.4
173.13257	4.8
175.14806	4.6
179.10706	3.1
179.14386	4.6
185.13249	6.0
199.14726	4.1
207.13846	3.2
221.15332	4.4
231.21088	6.8
241.19487	11.7
249.22179	3.9
259.20459	8.3
277.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03927	10.9
55.01865	44.7
55.05267	5.2
55.05505	56.7
55.58844	3.5
57.03411	4.4
57.07055	14.3
59.04974	3.9
67.05132	4.9
67.05499	96.8
69.03412	8.8
69.07064	46.7
69.43878	24.1
69.44289	5.8
71.04982	10.6
71.08627	35.3
79.05054	5.8
79.05486	58.7
81.03413	24.6
81.07050	85.9
82.13297	3.6
83.04967	21.5
83.08612	39.8
85.06524	8.7
85.10156	16.0
91.05470	55.2
93.07031	61.5
95.04966	24.0
95.08598	61.1
97.06509	31.3
97.10155	18.7
98.21551	7.0
99.08077	24.4
105.07019	39.0
107.04932	15.5
107.08590	52.3
109.06499	12.0
109.10152	32.0
111.08069	42.0
113.09620	14.5
117.06970	11.3
119.08591	33.1
121.06499	4.1
121.10110	28.5
123.08042	10.2
123.11691	7.8
125.09614	14.4
127.11099	4.8
128.06238	5.9
129.06978	7.9
131.08537	11.2
133.10117	23.3
135.11682	21.9
137.09570	13.2
139.07639	3.9
139.11159	11.6
142.67145	3.5
143.08482	7.6
145.10103	8.2
147.11703	25.6
149.09636	9.5
149.13246	17.2
151.11172	38.8
153.12677	4.9
157.10101	4.9
159.08047	6.9
159.11702	5.1
161.13268	17.7
163.11137	12.3
163.14798	5.6
165.12685	25.1
167.14258	4.5
169.06412	3.8
171.08037	5.1
171.11667	6.1
175.07516	13.5
175.14766	8.0
177.12769	5.8
179.14313	13.4
185.13194	4.7
187.07504	9.0
189.09305	4.2
189.11203	9.7
199.07498	5.7
203.06999	25.0
204.94493	3.7
215.06981	11.7
217.08591	8.8
221.15327	4.9
241.19507	9.9
245.08011	13.8
249.22067	11.7
259.20602	8.0
263.09134	15.5
277.21582	100.0
295.11932	6.4
295.22693	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03929	23.2
55.01861	8.0
55.05501	31.0
57.03438	5.2
57.07050	6.2
67.05490	48.2
69.03405	4.0
69.07056	48.8
70.97501	4.9
70.97846	6.7
71.04958	5.4
71.08631	6.5
74.55404	3.0
79.05481	44.0
81.03405	76.8
81.07042	57.1
83.04957	22.2
83.08601	13.3
88.58084	3.6
91.05479	25.2
93.07034	41.2
95.04962	40.4
95.08592	27.9
97.06477	6.3
97.10136	8.8
97.91908	3.2
98.51965	3.0
99.08071	4.9
105.07015	30.5
107.08585	26.9
109.06494	9.2
109.10121	21.4
111.08036	6.1
117.07015	4.9
119.08554	17.6
121.10139	15.4
123.11676	13.7
125.09602	8.3
131.08508	4.2
133.10110	26.1
135.07973	4.3
135.11673	11.5
135.23816	3.6
145.10077	3.6
147.11668	13.1
149.09546	4.3
149.13249	8.1
151.11165	64.5
153.09113	3.7
161.13237	13.9
163.14836	7.9
165.12689	10.8
171.10271	3.7
171.11636	6.7
173.90143	3.2
177.12700	3.3
179.14308	6.2
189.12653	4.7
207.13773	8.9
217.19438	4.6
221.15292	4.0
231.21078	20.2
241.19498	7.8
249.22108	7.8
259.20566	9.2
277.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.08900	3.2
53.03933	4.9
55.01845	4.6
55.05504	20.2
57.03432	47.3
57.07064	4.5
63.33828	3.5
67.05497	63.9
69.07062	24.1
71.04995	4.6
79.05486	45.5
81.06597	5.6
81.07053	100.0
82.57906	3.1
83.04969	3.8
83.08607	11.5
85.06544	8.5
91.05450	21.2
93.07034	50.0
94.64603	4.2
95.04965	8.9
95.08601	76.0
97.06528	7.5
97.10155	11.1
99.08100	4.8
105.07006	22.4
106.81287	3.1
107.08592	34.4
109.06512	10.4
109.10143	29.5
109.82175	3.3
111.08072	5.9
119.08593	16.6
121.10132	33.7
123.08025	12.2
123.11746	5.8
131.08586	15.8
133.10127	17.8
135.11684	29.4
137.09572	7.9
139.11198	3.7
145.10075	16.0
147.03181	3.4
147.11670	14.9
149.09552	3.5
149.13197	11.3
151.11130	5.4
159.11647	12.1
161.13197	6.7
163.11057	6.0
163.14824	8.2
165.12636	3.8
171.11673	4.8
181.12195	3.7
185.13332	5.4
187.14815	18.2
199.14751	4.4
203.17912	8.1
205.15826	12.8
207.13875	3.3
215.37625	3.5
221.18919	10.4
223.16837	10.2
241.19417	8.9
246.96860	3.7
259.20584	12.6
277.21625	67.3
295.22897	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	3.3
55.01850	5.6
55.05235	2.9
55.05503	46.4
57.03420	5.1
57.07051	3.6
65.03920	3.4
66.37957	2.3
67.05499	100.0
69.03407	3.5
69.07058	22.2
69.22022	20.7
69.22433	5.3
71.04960	3.7
71.08621	30.6
79.05482	44.5
81.03398	6.2
81.06588	4.5
81.07046	64.7
83.04967	9.3
83.08603	21.8
85.06519	4.6
91.05459	26.8
93.07031	47.6
95.04935	8.4
95.08595	36.9
97.06530	6.0
97.10156	30.8
99.08102	18.4
105.07021	18.9
107.04955	3.4
107.08582	42.4
108.14651	2.8
109.06516	2.7
109.10142	60.6
111.08031	3.9
117.07009	6.0
119.08573	15.5
121.10126	26.7
123.08009	4.3
123.11729	4.3
125.09612	25.3
131.08560	3.5
133.10155	14.6
135.08032	3.3
135.11673	32.4
137.09630	3.1
137.13252	2.6
143.08525	7.0
145.10097	6.1
147.07970	3.1
147.11682	9.8
147.20268	2.6
149.13194	13.3
151.11127	9.0
161.13220	7.5
163.11185	4.5
163.14795	2.7
167.10710	2.7
171.11754	4.5
173.13173	5.1
175.14883	3.1
179.14297	51.6
185.13159	3.9
187.14787	3.2
189.11183	14.9
189.12762	2.7
195.64908	3.0
235.16881	3.6
259.20551	10.3
277.21588	48.6
295.22501	8.3
316.33215	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	295.2264
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.12391	4.9
55.01874	71.7
55.05512	42.2
57.07074	10.1
64.25243	4.9
67.05491	51.0
69.03435	5.5
69.07061	58.9
69.43828	27.4
69.44257	12.1
71.04991	9.0
71.08620	23.4
79.05489	35.8
81.07048	84.7
83.04982	12.5
83.08601	36.8
83.57921	4.7
85.06537	5.9
91.05463	34.7
93.07027	53.8
95.04922	6.8
95.08608	55.8
97.06524	83.4
97.10175	10.3
98.21497	9.6
99.08076	16.0
105.07022	33.1
107.08569	33.2
109.06509	8.2
109.10149	23.3
111.08053	14.8
117.07037	4.9
119.08562	22.6
121.10136	39.6
123.08056	7.4
123.11700	14.1
125.09628	8.4
131.08580	7.9
133.10121	13.9
135.11676	25.8
147.11700	37.0
149.13257	13.7
151.11157	16.5
157.10046	4.7
159.11688	8.1
161.13251	11.8
163.11162	14.3
163.14874	8.6
165.12767	17.6
168.79294	5.3
179.14259	10.7
183.37466	5.6
231.20937	6.1
241.19603	8.5
249.22034	5.4
256.00317	8.1
259.20557	14.8
277.21594	100.0
295.22708	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.01840	0.4
57.97120	0.2
61.02920	0.3
65.03919	0.5
69.03407	0.4
69.07052	0.5
69.82296	1.2
70.06570	0.7
72.08144	0.5
74.02448	0.5
75.16998	0.2
79.05470	0.3
81.03389	0.2
84.08134	0.6
85.02899	1.1
86.09695	4.9
86.10186	0.4
88.03986	0.3
91.05473	24.3
92.05804	0.3
93.07013	0.3
95.04932	0.3
97.02856	0.2
98.97559	0.3
103.05473	0.2
107.04932	1.2
109.06512	0.8
111.11683	0.2
116.54744	0.2
118.06510	1.1
119.04931	17.0
120.08089	0.5
121.06497	2.3
121.80080	0.2
127.03899	0.4
130.08640	0.6
132.10193	2.0
135.09076	0.2
136.07567	100.0
137.07886	0.8
145.05009	0.3
146.06003	0.4
147.04413	0.6
150.07741	0.6
151.03819	0.2
155.20773	0.2
161.10712	1.9
163.03976	0.3
184.94141	0.2
188.57973	0.2
236.12677	0.3
249.15961	1.4
250.14412	0.7
252.42606	0.2
278.13809	1.3
295.08310	0.3
295.16473	5.8
295.19519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.19
Annotation	Russujaponol B
Peak:m/z	Relative Intensity
52.27967	3.1
53.03928	3.6
55.01852	6.3
55.05496	13.6
57.07085	4.3
61.80134	3.3
67.05496	40.0
69.07053	14.7
70.75455	3.4
71.04971	9.8
71.08627	3.2
71.52707	3.9
79.05490	17.8
81.07044	68.4
83.04991	6.0
83.08591	7.0
84.72469	3.1
85.06551	7.1
91.05461	23.3
93.07030	40.3
95.04948	9.2
95.08592	48.2
97.06506	9.6
97.10191	4.0
99.04429	8.3
99.08137	4.8
105.07015	52.8
107.08570	39.9
109.06499	9.4
109.10142	19.6
110.63436	3.5
111.08091	8.7
117.07008	9.4
119.08572	45.5
121.06450	6.1
121.10139	24.0
123.08060	9.6
123.11652	9.3
127.07536	5.3
128.06174	3.7
129.06981	5.1
130.07736	4.9
131.08543	26.3
133.10152	28.8
135.08104	4.4
135.11662	10.8
137.09642	4.2
142.07747	4.8
143.08539	21.7
145.10097	22.6
147.08032	4.6
147.11684	17.4
149.09550	5.4
149.13252	10.6
155.74925	3.8
157.10100	32.0
159.11674	93.6
161.09593	9.7
161.13261	12.8
163.11208	3.2
171.11661	7.7
173.13251	13.3
174.91104	3.8
175.11168	10.8
175.14766	24.3
177.12709	9.1
186.43874	3.5
189.16382	14.1
199.14774	32.3
213.46335	4.2
217.15845	100.0
235.16905	35.0
277.18030	17.7
277.21552	9.9
295.05927	5.8
295.09668	6.6
295.19211	9.1
295.22629	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	295.1325
Annotation	Eupomatenoid 5
Peak:m/z	Relative Intensity
52.77721	1.4
53.03933	2.2
55.01867	2.1
55.05487	4.9
57.07072	1.8
67.05476	6.8
67.13148	2.0
68.99807	1.9
69.03422	4.3
69.07033	4.1
70.06567	1.9
71.52059	1.5
71.52480	2.5
79.05486	10.4
81.03394	4.8
81.07045	8.8
83.04977	8.3
85.02889	2.6
85.06535	2.8
91.05487	16.3
93.07025	11.4
95.04945	7.3
95.08598	5.8
97.06507	5.7
103.05453	7.8
104.77135	1.5
105.07030	22.0
107.04292	3.0
107.04947	30.4
107.08596	4.6
109.02868	5.7
109.06469	2.5
109.10147	2.7
113.66545	1.8
115.05450	9.7
115.06220	1.5
117.07009	5.9
119.04940	13.0
119.08548	6.3
121.02831	4.1
121.06495	20.5
121.10126	5.4
123.08069	1.9
128.06207	3.6
129.06973	2.8
131.04900	16.6
131.08572	3.0
132.05672	3.8
133.06490	42.8
133.10092	3.0
137.05968	33.0
141.06958	4.3
143.04839	3.9
143.08626	3.2
144.05717	2.4
145.06482	31.5
147.04318	2.0
149.02338	2.0
151.07530	11.1
155.06076	3.4
157.06453	2.8
159.11681	2.2
160.05197	10.3
161.05899	2.7
163.07568	7.1
163.11195	1.9
165.06982	2.7
167.03412	2.1
169.05023	3.3
169.06398	4.3
170.07233	2.3
171.08018	8.5
174.06752	5.3
175.07538	51.3
177.01851	9.3
179.08492	6.6
181.06395	3.5
183.02873	2.7
189.07016	3.9
195.02907	12.1
197.00851	2.0
197.04396	2.6
197.06024	4.5
201.09097	14.2
202.07684	2.9
203.06972	2.7
207.02872	6.9
207.08031	27.4
207.09859	3.3
210.01572	2.8
210.06778	8.0
211.06012	6.2
217.08643	2.5
218.07321	2.5
219.08066	3.3
220.08783	5.7
224.08327	15.8
225.03816	14.9
234.06726	5.1
235.05850	1.7
235.07584	17.2
235.11182	7.9
236.08342	5.3
238.06277	15.1
239.06921	2.3
239.10683	2.0
240.07727	11.4
245.09676	3.4
248.08228	3.0
249.09123	4.0
251.07051	2.5
252.07799	16.0
253.08568	54.1
253.11087	3.7
254.09361	2.2
263.07938	2.0
263.10666	17.8
267.10138	100.0
268.10434	3.4
277.10815	9.3
280.10886	2.1
295.06003	76.7
295.13391	51.4
296.06323	3.8
311.09656	1.8
311.84500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.65142	0.3
57.07059	1.1
66.73786	0.2
67.05479	1.2
69.07039	0.4
69.50739	1.6
71.08619	1.1
79.05493	1.2
81.03404	0.3
81.07047	1.7
88.35820	0.3
91.05457	0.9
93.07030	0.7
94.04179	2.3
95.04984	0.2
95.08604	0.3
95.75404	0.2
105.07027	0.5
107.04933	0.4
107.08556	0.5
109.06499	0.7
109.10126	0.5
110.98054	0.3
122.03634	6.8
123.11617	0.3
125.09624	0.3
137.05962	100.0
138.06297	1.4
141.12733	2.5
151.11147	0.4
158.15445	1.3
173.65160	0.3
218.72754	0.3
276.20483	0.4
277.21640	1.1
294.20883	0.5
295.06070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.06
Annotation	Euplectin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01863	0.2
55.05498	0.2
56.96551	0.2
65.03937	0.7
67.05186	0.1
67.05508	1.5
68.99767	0.2
69.07059	0.4
69.57567	0.8
71.04978	0.1
79.05473	0.4
80.09164	0.1
81.03419	1.3
81.07057	1.4
83.08613	0.2
85.02875	0.2
85.05541	0.1
85.46599	0.1
85.94868	0.1
87.04467	0.1
91.05474	2.6
93.03383	0.3
93.07034	0.5
95.04942	0.2
95.08601	1.6
97.06522	0.1
97.10165	0.1
105.03403	0.1
105.07032	0.2
107.08591	0.2
109.02879	0.5
109.10147	1.3
119.04931	7.2
119.08569	0.2
121.02859	3.2
121.10089	0.2
122.03201	0.1
123.04437	0.1
123.11688	0.4
131.08586	0.1
135.11708	0.1
136.01514	0.2
137.13318	0.1
142.66774	0.1
145.02832	2.2
145.10217	0.1
149.01147	0.2
149.02333	3.0
149.13327	0.1
151.03934	0.3
153.07030	0.1
155.08553	0.1
161.13139	0.1
163.03870	0.2
165.06955	0.6
167.03397	4.3
177.01822	12.4
178.02158	0.3
181.06372	0.2
183.07979	0.3
193.06494	0.3
195.02893	1.1
199.07343	0.1
211.07399	0.1
221.05945	0.6
239.06969	0.4
243.71712	0.1
249.05518	0.2
253.04903	0.2
261.03769	0.1
267.06519	4.5
281.04355	0.1
294.05167	0.3
295.05988	100.0
296.06329	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1173
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
55.01854	1.2
55.05498	3.0
57.07053	1.3
65.03915	2.6
67.05494	18.4
69.03413	1.5
69.07062	4.5
71.04992	1.4
71.08597	1.0
71.52861	1.4
72.81784	0.9
76.23806	0.8
79.05479	3.6
81.03410	1.6
81.07043	5.4
83.04937	1.5
83.08600	2.6
85.06531	12.5
91.05463	8.0
92.89061	1.0
93.07027	4.8
95.04946	2.5
95.08588	6.0
97.06509	1.6
100.11239	4.7
105.06997	4.6
106.07383	1.4
107.04958	1.2
107.08587	3.1
109.06499	2.1
109.10143	3.8
119.04906	3.7
119.08553	2.9
121.06476	4.9
121.10085	2.2
123.11672	1.8
131.04926	1.3
133.10135	1.4
135.08006	1.0
136.83942	0.9
137.05992	1.6
143.08537	1.4
147.04375	7.3
149.05946	8.3
149.09544	1.0
151.03899	1.9
151.11156	0.9
161.05974	8.1
163.11060	1.0
163.55827	0.9
165.05461	8.5
168.17471	7.1
171.07890	0.9
175.03777	0.9
175.11159	2.5
177.05450	91.4
178.05759	1.2
179.07025	5.9
189.05418	9.7
199.07539	1.1
201.05334	0.9
203.10675	2.9
207.06497	4.8
221.11729	1.2
223.05980	9.8
231.10129	4.8
235.05913	2.1
249.11188	100.0
250.11449	3.5
277.10690	24.8
277.21774	1.5
295.05936	1.7
295.11951	1.5
295.18643	1.5
295.23514	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	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03928	2.4
55.01855	3.7
55.05508	28.2
57.03421	2.4
57.07074	14.7
59.05001	1.4
65.03915	1.6
67.05495	36.6
69.03413	3.5
69.07060	48.7
70.20229	5.1
71.04978	2.9
71.05330	1.0
71.08630	6.2
79.05066	1.7
79.05486	21.2
81.03405	2.1
81.07046	100.0
83.04980	3.9
83.08611	30.4
85.06526	12.9
85.10168	2.0
86.09685	1.7
91.05470	13.1
93.07033	37.2
94.07357	1.4
95.04958	5.9
95.08595	97.1
96.08919	1.3
97.06505	8.0
97.10161	14.3
98.97598	2.4
99.08095	7.7
103.05434	1.9
105.07025	33.2
106.07307	1.1
107.04942	4.1
107.08580	40.0
108.08916	1.8
109.06501	7.0
109.10143	54.7
111.04439	1.7
111.08070	8.9
111.11691	9.3
113.09657	2.0
116.98638	1.8
117.07011	4.5
119.04964	1.6
119.08569	14.5
120.08106	2.9
121.06483	5.3
121.10135	21.2
123.08043	6.5
123.11691	38.8
125.05967	1.5
125.09608	4.5
125.13252	3.1
129.07022	2.8
130.07782	1.5
131.08568	10.4
133.10104	7.2
134.99673	2.5
135.08054	7.0
135.11678	12.6
137.09595	4.0
137.12202	1.7
137.13245	32.8
139.07512	2.0
139.11211	1.9
143.08577	3.6
145.06480	3.3
145.10126	12.7
147.08032	2.4
147.11678	9.8
149.09602	7.1
149.13232	21.2
151.07564	1.9
151.14796	6.5
153.12732	2.1
155.08484	2.7
156.09331	2.4
157.10101	3.3
158.07355	1.6
159.08005	5.5
159.11662	9.1
161.09637	5.4
161.13245	1.8
163.03946	1.4
163.07550	1.4
163.11192	3.5
163.14821	7.6
165.16394	2.6
167.14310	12.5
169.10219	1.3
171.11673	3.0
172.12346	1.0
173.09631	8.0
173.13245	4.8
175.11177	4.3
175.14839	1.0
177.05589	1.2
177.09109	2.2
177.12698	3.6
177.16417	1.9
179.03378	1.0
179.10541	1.3
179.17964	2.3
180.10175	1.2
181.08575	1.4
187.11185	1.3
187.14783	6.4
189.12726	1.6
191.10696	3.5
191.14342	2.9
197.13211	2.7
205.12134	1.9
205.15866	20.0
215.14284	11.3
219.20988	1.2
233.15332	17.6
249.25742	1.5
251.16527	4.7
275.09131	2.0
275.16422	1.8
275.20145	5.7
275.27176	5.6
293.10251	4.4
293.17471	35.5
293.21085	4.6
293.28354	35.2
294.18195	9.0
294.21158	1.0
294.28543	1.2
296.97504	1.1
311.04471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01867	0.3
55.05489	0.5
57.07055	0.8
61.92866	0.2
62.88268	0.2
67.05500	1.2
69.07040	0.3
70.74217	0.4
70.74583	0.5
71.08599	0.4
79.05492	1.3
81.07047	2.6
82.05262	0.2
82.07388	0.2
83.08624	0.3
91.05477	0.8
93.07024	0.5
94.04178	2.8
95.04948	0.4
95.08588	0.9
97.06524	0.3
97.10135	0.4
100.07622	0.3
101.55420	0.3
105.07008	0.3
107.04906	0.4
107.08589	0.5
108.08910	0.5
109.06499	1.0
110.14469	0.2
112.74070	0.2
119.08578	0.4
122.03635	7.8
123.11670	1.5
137.05959	100.0
138.06326	1.6
143.08423	0.2
158.15388	1.4
170.15373	2.1
207.90706	0.2
238.11574	0.5
257.10754	0.2
263.08905	0.2
267.54187	0.3
276.20374	1.1
294.20752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	4.7
55.01860	7.1
55.05507	25.5
57.03430	6.2
57.07061	3.5
59.97970	2.0
64.54945	1.9
65.03932	2.6
67.05498	43.3
69.03424	3.0
69.07060	22.5
70.39281	4.3
70.39683	4.1
71.04984	7.3
79.05486	38.4
81.03407	8.6
81.07050	100.0
83.04967	7.1
83.08608	13.9
85.06539	3.7
91.05473	35.9
93.07037	37.6
95.04957	23.0
95.08594	32.2
97.06523	6.5
97.10159	2.9
98.21363	2.4
99.08105	3.1
105.07024	36.7
107.04948	8.0
107.08584	28.3
109.06506	23.8
109.10158	13.0
111.08071	7.3
117.07008	8.9
119.08573	31.5
121.06560	4.2
121.10133	18.2
123.08050	11.7
123.11702	7.4
125.09631	5.4
129.06985	2.9
131.08571	16.5
133.06490	2.4
133.10123	23.5
135.08041	7.2
135.11691	9.0
137.05951	12.5
137.09604	12.2
139.11200	2.4
143.08533	4.0
145.10117	15.6
147.11700	15.6
149.09575	11.4
151.11143	5.9
155.08490	2.0
157.10124	3.0
159.11682	12.6
161.09651	3.1
161.13266	4.2
163.11140	8.7
163.16982	2.0
165.12704	4.5
173.13222	6.3
175.11177	3.4
177.12798	3.5
181.97491	1.9
183.11740	2.5
185.13284	5.0
187.10997	2.0
187.14801	2.9
197.13173	3.0
197.85866	2.2
205.15945	2.1
219.17433	3.2
225.73470	1.8
226.41524	1.9
229.19635	3.6
247.20598	4.2
257.19006	8.3
275.20041	66.1
293.21011	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.16481	2.6
53.03933	6.7
55.01865	8.1
55.05269	4.3
55.05507	55.6
57.03430	18.9
57.07056	4.4
59.04997	2.6
60.04689	2.8
60.68255	2.7
61.96395	2.8
67.05500	54.4
69.03419	6.4
69.07054	24.3
69.84233	6.7
69.84635	9.4
71.04983	5.4
79.05487	90.2
81.03384	4.2
81.07050	51.7
82.81745	3.4
83.04991	13.9
83.08594	17.9
84.43874	3.1
85.06554	3.6
90.39988	2.7
91.05470	47.1
93.06490	4.6
93.07038	70.4
95.04955	14.1
95.08606	33.0
97.06522	7.2
97.10166	15.3
98.95332	2.5
104.29090	2.4
105.07021	41.8
107.04935	26.6
107.08582	45.9
109.06492	5.3
109.10158	22.0
111.04411	5.0
111.08080	3.6
117.07008	10.1
119.08574	35.6
121.06528	7.1
121.10133	25.4
123.08039	10.0
125.09631	15.5
131.08528	21.1
133.10123	32.6
135.08000	7.7
135.11658	11.1
137.09622	4.8
143.08591	4.3
145.10063	13.0
147.11696	25.0
149.09622	33.0
149.13254	4.7
153.09122	3.4
159.11659	15.0
161.13258	6.8
173.11679	3.5
173.13191	8.1
177.12790	3.5
183.11700	5.3
189.11247	6.6
191.14198	3.2
197.13255	3.4
209.11639	6.0
215.14194	3.9
224.56253	2.8
229.19441	6.1
237.11159	6.0
237.18468	36.8
239.17813	3.3
257.18982	14.0
271.40698	2.8
275.20038	100.0
293.09918	3.7
293.21085	35.4
294.10208	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	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.32088	0.8
51.53819	0.7
53.03945	1.6
55.05503	8.7
57.07076	1.8
63.90190	0.7
65.03944	2.9
67.05499	89.7
68.05855	0.8
68.40324	0.7
69.07059	9.5
69.48735	4.4
69.49152	1.5
78.65270	0.7
79.05059	1.5
79.05482	12.3
81.07050	100.0
82.07374	0.8
83.04993	0.9
83.08617	5.2
85.06532	1.4
91.05490	5.4
93.07038	12.5
95.04962	0.8
95.08599	77.5
97.06517	1.4
97.10168	2.7
99.08105	0.8
105.07027	3.6
107.08579	7.6
109.06490	0.9
109.10148	47.3
111.08031	1.2
111.11736	0.9
114.73044	0.8
115.07577	0.8
117.07025	1.5
118.54589	0.7
119.08556	4.6
121.10139	7.8
121.28931	0.7
123.08074	1.6
123.11700	31.2
131.07719	0.7
131.08539	4.7
133.10130	4.0
135.11682	5.8
137.09621	2.2
137.13240	14.3
139.56093	0.7
145.10133	2.8
147.11685	3.0
149.09625	2.3
149.13257	4.7
151.11139	1.3
151.14771	3.5
153.12772	0.8
159.11659	3.4
161.13266	3.3
163.11169	2.1
163.14842	3.3
165.12743	1.7
173.13242	4.7
175.14883	1.0
177.12746	2.4
177.16405	2.1
179.14297	1.5
187.14813	3.2
191.14319	1.6
201.16400	1.3
205.15862	1.7
209.15472	0.8
217.19374	1.0
219.21031	1.3
223.16876	0.9
233.22725	0.8
237.18578	2.3
243.21063	5.8
248.39801	0.8
261.22156	8.9
293.21646	1.0
293.24719	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	10.9
55.05504	21.5
57.03419	3.0
60.66602	2.0
63.80886	1.9
65.03938	2.6
67.05182	2.8
67.05499	38.1
67.32797	2.1
69.03412	2.4
69.07059	16.1
70.46345	2.1
70.65093	4.0
70.65466	6.5
71.04990	4.3
75.62283	2.1
79.05482	41.9
81.03397	6.7
81.06592	4.7
81.07045	58.6
83.04979	5.5
83.08611	16.5
85.06523	3.6
91.05461	29.6
93.07036	28.2
95.04958	14.6
95.08596	23.8
97.06512	18.2
97.10152	8.2
105.07020	28.0
107.04960	11.1
107.08577	35.9
109.06516	15.7
109.10143	13.4
111.08034	4.4
117.07005	9.7
119.08565	23.4
121.06457	5.1
121.10126	15.7
123.08005	6.3
123.11702	4.1
125.09585	9.8
129.06992	3.3
131.08517	13.3
133.10103	18.0
135.08058	5.8
135.11653	7.5
137.09590	5.9
145.10115	13.5
147.11664	15.8
149.09598	15.0
149.13234	6.6
151.11150	7.9
159.11700	9.8
161.13199	4.3
163.11143	10.6
165.09103	3.9
165.12674	3.9
173.09596	2.8
173.13240	5.9
177.12721	2.9
179.14250	2.9
187.11133	2.6
189.11198	4.3
191.14281	3.2
201.12646	2.3
215.17892	2.5
222.69392	2.2
223.13368	2.9
229.19388	4.3
239.17935	7.3
247.20499	7.3
257.19025	10.5
275.20026	100.0
276.20355	5.5
293.10379	5.1
293.21115	27.5
293.66025	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.42104	0.9
53.03931	1.6
54.66642	1.1
55.01844	1.9
55.05505	6.5
57.03197	1.0
57.03429	14.5
57.07058	2.9
65.03939	1.4
67.05495	13.0
68.39671	1.0
69.07063	5.1
69.28388	5.5
69.28818	4.6
79.05480	13.3
81.03416	1.5
81.07050	20.8
83.04973	1.3
83.08585	4.1
85.06546	2.3
91.05467	17.8
93.07036	17.6
95.04943	3.2
95.08588	14.6
97.06500	1.6
97.10174	2.9
99.04446	2.0
104.10720	1.1
105.07013	14.4
107.04899	2.8
107.08597	9.9
109.06496	4.7
109.10138	5.8
111.08076	2.1
113.09322	1.0
117.07002	8.9
119.08561	10.4
121.06461	2.1
121.10127	7.7
123.08075	2.3
123.11655	1.7
129.06958	2.1
131.08557	11.1
133.10138	6.9
135.11639	4.0
137.09576	3.7
143.08574	1.4
145.10104	7.9
147.11620	2.3
149.09569	4.2
151.11237	1.7
159.11638	4.0
161.13213	2.3
163.07494	1.1
163.11241	1.5
173.13203	1.6
185.13202	3.4
201.16353	4.1
203.14247	3.7
215.11676	1.0
219.17418	100.0
220.17664	3.4
221.15378	2.4
227.56657	1.2
237.11165	1.5
257.19000	2.0
275.20013	14.6
278.59833	1.2
293.21164	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01857	9.9
55.05502	57.7
67.05497	37.3
67.46375	3.3
69.03400	2.8
69.07044	9.2
69.79838	19.8
71.04974	4.6
73.81965	3.4
77.28403	3.1
79.05478	85.9
81.07041	29.8
83.04965	14.8
83.08594	21.0
86.21564	3.0
91.05457	25.5
93.07025	34.7
93.75784	3.2
95.04955	9.2
95.08572	8.6
97.06516	9.5
97.10163	31.2
98.20818	3.8
105.07017	30.7
107.04931	37.1
107.08582	67.4
109.10143	22.1
117.06975	10.4
119.08553	17.5
121.06484	4.1
121.10151	18.6
123.11690	4.5
125.09607	34.5
131.08543	14.0
133.10129	21.7
135.08022	10.6
135.11635	3.9
145.10129	7.3
147.11702	13.2
149.09595	87.3
153.08997	5.4
159.11664	8.9
161.13292	5.1
169.12181	5.5
173.11647	4.0
173.13142	5.7
179.10536	3.3
187.13254	4.5
189.11212	27.9
201.64494	3.3
211.58827	2.9
218.96373	3.0
229.19545	11.4
247.20573	4.2
257.18933	23.3
275.20038	100.0
276.20212	4.6
293.21094	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03929	6.4
54.22820	1.6
55.01640	1.9
55.01869	27.2
55.05270	2.0
55.05505	25.5
57.03427	4.5
57.07055	2.0
58.34130	1.4
67.05502	40.0
69.03429	3.4
69.07057	25.2
70.18005	4.5
70.18401	2.4
71.04973	4.7
79.05489	47.1
81.03410	12.3
81.07048	38.3
82.07446	1.8
83.04959	7.5
83.08647	8.6
85.06504	1.9
91.05473	27.2
93.07037	32.9
95.04948	14.3
95.08599	22.5
97.06522	37.5
97.10156	9.8
98.16390	1.6
105.07020	31.7
107.04945	17.5
107.08585	67.0
107.09309	3.9
109.06509	12.7
109.10155	15.9
111.08054	4.5
113.40690	2.1
117.06977	10.1
119.08570	19.7
121.06471	10.0
121.10152	19.3
123.08042	8.5
123.11672	5.3
125.09627	12.4
129.07011	3.3
131.08551	15.9
133.06496	2.3
133.10101	18.5
135.08041	12.6
135.11684	10.0
137.09593	7.5
141.06979	3.5
143.08488	3.8
145.06482	2.3
145.10110	14.9
147.08023	3.9
147.11703	12.5
149.09601	24.2
149.13254	3.9
151.11186	12.9
157.10130	3.9
159.08067	3.2
159.11662	14.8
161.09589	3.1
161.13235	5.9
163.11185	9.7
163.14793	1.8
165.09128	10.1
165.12766	2.0
169.10071	4.7
171.11572	2.1
173.09555	3.2
173.13301	8.2
175.11165	6.6
177.12741	6.9
177.16414	1.7
183.11710	2.7
187.11150	6.5
187.14795	7.0
189.11212	6.2
197.13220	3.7
201.12712	1.8
201.16469	1.5
205.12309	3.5
205.15871	4.1
215.14279	5.6
215.17813	2.6
215.26045	1.7
229.19481	5.8
233.15356	11.6
239.17928	4.0
247.20601	9.3
251.16336	3.5
257.18991	12.3
275.20047	100.0
276.20328	3.8
293.17413	19.7
293.21011	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.67530	2.1
53.03936	5.9
55.01867	9.0
55.05502	25.7
56.45111	2.2
57.03434	2.9
57.07081	5.4
65.03928	3.3
65.18192	2.2
67.05499	57.0
69.03447	2.5
69.07056	16.8
69.92556	9.0
71.04996	3.9
75.43961	2.4
79.05487	50.4
81.03413	4.7
81.07049	100.0
83.04977	9.3
83.08617	15.9
85.06519	3.2
87.88713	2.6
91.05470	40.2
93.07035	38.4
95.04971	24.0
95.08605	41.6
97.06541	6.7
97.10150	3.0
105.07015	44.6
107.04949	9.2
107.08582	32.1
109.06506	24.1
109.10141	26.6
111.08047	5.5
113.06036	2.6
117.07011	11.8
117.82277	2.5
119.08582	37.3
121.06513	8.8
121.10139	18.5
123.08075	9.2
123.11707	8.8
125.09619	5.0
128.06226	2.4
129.07001	4.5
130.23579	2.5
131.08524	18.4
133.10110	33.7
135.08047	10.1
135.11696	6.9
137.09558	12.6
139.11188	2.4
143.08556	2.9
145.10095	18.8
147.08064	2.7
147.11674	18.0
149.09602	10.6
149.13269	4.2
151.11186	11.9
153.08984	3.0
157.10149	5.1
159.11690	10.4
161.09612	2.9
161.13188	2.6
163.11191	8.3
165.12740	5.2
169.10329	3.3
173.13264	8.5
175.11176	2.9
175.14565	2.9
177.12820	4.0
183.11639	2.8
187.14922	3.2
201.16193	2.6
205.15775	2.6
229.19527	3.6
232.14581	2.3
233.15369	6.0
239.18117	3.3
241.49132	2.3
247.20543	11.2
257.19070	7.7
275.17007	3.2
275.20038	61.9
275.23117	3.5
276.20493	3.3
293.21051	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.02522	0.2
53.03920	0.3
55.01853	1.0
55.05504	2.7
57.03422	0.4
57.06835	0.3
57.07072	3.5
62.66999	0.2
65.03888	0.5
67.05496	4.2
67.06021	0.3
69.03423	0.4
69.07058	2.5
71.04971	0.5
71.08633	2.0
71.52563	0.3
79.05486	4.4
81.03410	1.4
81.06602	0.3
81.07049	5.1
81.59096	0.2
83.04975	1.6
83.08611	1.4
85.02922	0.3
85.06519	0.6
91.05488	2.2
93.07040	2.7
93.72189	0.3
95.04955	7.9
95.08607	2.2
97.06538	0.6
97.10142	1.1
99.08066	0.9
105.07010	2.5
107.04948	3.5
107.08581	1.8
108.05711	1.9
108.26505	0.2
109.02792	0.3
109.06522	2.4
109.10132	1.0
111.04435	1.3
111.08120	0.6
117.07000	0.8
119.08563	1.7
121.06496	7.2
121.10139	1.5
123.08071	0.4
125.05957	0.9
125.09599	0.8
131.08609	1.3
132.25235	0.3
133.10123	1.2
135.04362	0.6
135.08037	1.2
135.11664	0.5
145.10068	0.8
147.11620	0.3
149.09567	1.3
151.11177	1.6
153.05434	0.9
157.10132	0.4
159.11667	0.5
163.03859	0.4
163.11115	1.3
164.11975	0.8
165.12738	4.5
167.10625	0.4
177.12671	1.5
181.04944	1.8
181.12123	0.3
191.10640	1.5
191.14360	0.4
195.10136	1.0
209.11711	3.4
215.14276	0.3
219.10028	0.5
223.13356	1.2
233.15321	0.3
236.14027	0.6
237.11162	5.3
237.14839	0.6
237.18500	0.5
252.65059	0.3
257.18973	0.3
265.17938	0.5
275.20117	1.8
293.21075	100.0
294.18478	0.4
294.21436	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01864	4.4
55.05503	14.1
57.03431	2.4
57.07081	3.0
65.24670	2.0
67.05501	31.9
69.07063	26.6
70.78049	2.6
70.78411	6.5
71.04988	4.0
79.05482	22.4
81.07047	38.7
83.04993	6.8
83.08617	6.4
91.05473	22.5
93.07044	29.2
95.04953	10.7
95.08598	24.9
97.06515	4.0
97.10175	2.0
103.65571	1.9
105.07018	27.5
107.04948	7.6
107.08580	17.2
109.06514	11.7
109.10142	14.1
111.08116	2.1
117.07015	6.4
119.08554	15.8
121.06505	8.3
121.10116	11.7
123.08072	7.1
123.11710	2.9
129.07013	3.0
131.08586	13.9
133.10104	19.0
135.08055	5.1
135.11653	5.0
137.09619	2.8
143.08600	3.2
145.10130	16.2
147.08044	3.2
147.11661	17.1
149.09615	6.8
149.13269	5.4
151.11163	8.1
155.08482	2.5
157.10095	4.1
159.08134	2.1
159.11687	11.1
161.09679	2.3
161.13206	4.2
163.11162	5.6
163.14775	2.1
167.55104	2.0
171.11703	2.2
173.09584	3.2
173.13257	7.3
173.73677	2.8
175.14944	2.4
175.73740	2.3
177.12672	2.5
183.11719	3.1
187.11145	4.4
187.14769	4.2
191.14294	3.7
201.12759	4.1
207.13783	5.1
208.53015	2.0
219.13795	5.5
239.17839	3.2
247.20819	3.7
257.18915	11.6
275.20050	100.0
276.20340	5.3
293.21109	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	293.1743
Annotation	Acetylvalerenolic acid
Peak:m/z	Relative Intensity
53.03936	1.5
55.01873	3.1
55.05505	7.7
57.03419	1.8
57.07070	1.6
65.03929	1.0
67.05497	13.6
69.03422	1.6
69.07063	9.1
69.95850	3.6
71.04986	1.7
71.08598	0.9
71.20760	0.8
76.21461	0.6
79.05019	0.7
79.05483	15.8
81.03406	1.7
81.07047	17.4
83.04965	2.2
83.08601	4.5
85.06544	1.4
91.05466	17.3
93.06483	1.3
93.07034	20.0
95.04965	9.5
95.08591	16.3
97.06541	4.3
97.10159	3.2
99.04456	0.7
105.07018	25.7
107.04949	3.2
107.08580	24.7
109.06502	4.6
109.10130	5.3
110.30650	0.7
111.08090	2.1
113.44888	0.7
113.59205	0.6
115.05419	1.1
117.06998	8.5
119.08573	19.9
120.30222	0.7
121.06496	2.4
121.10132	8.3
123.08047	3.1
123.11689	0.9
125.05952	1.0
125.09608	3.2
129.06975	2.4
130.07771	2.1
131.08551	18.2
133.10109	13.6
135.08018	3.5
135.11668	2.4
137.09628	1.7
139.07553	1.5
142.07790	0.9
143.08533	4.1
144.09306	1.2
145.06488	0.9
145.10107	34.3
145.17191	0.7
146.10429	0.8
147.08028	0.9
147.11690	8.1
149.05969	1.9
149.09624	5.7
149.13255	1.5
151.07539	1.4
151.11139	2.9
151.36554	0.6
153.09048	1.1
155.08568	0.9
157.10033	4.1
158.10916	1.8
159.08084	2.0
159.11676	16.8
161.09543	1.0
161.13243	3.0
163.03839	1.1
163.07527	3.0
163.11194	3.8
165.09079	1.0
171.11632	1.2
172.12479	2.9
172.33418	0.7
173.09624	1.9
173.13280	3.1
174.52742	0.6
175.07504	0.7
175.11177	0.9
175.14735	1.3
177.05515	4.6
177.09100	3.1
177.12767	0.8
178.06210	3.5
185.13266	1.1
187.11215	1.5
187.14807	26.0
189.11163	1.2
191.06960	1.3
191.10678	2.7
197.13213	0.9
197.21367	0.7
203.14288	0.8
205.12306	1.0
205.15837	1.6
215.14325	2.3
219.13670	0.7
219.17464	3.4
221.15356	1.0
233.11703	4.2
233.15305	4.7
235.07455	0.9
237.14816	1.5
239.17882	1.2
247.20589	1.5
257.18997	2.4
275.20035	17.8
293.17462	100.0
293.20950	12.2
294.17877	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01865	0.8
55.05510	3.8
57.07059	2.1
67.05502	6.4
69.07049	5.6
70.62393	1.3
70.62749	1.7
79.05492	6.9
81.03404	2.1
81.07050	37.0
83.04965	1.3
83.08578	2.1
85.06535	0.7
91.05467	14.0
93.07035	11.1
95.04948	2.7
95.08596	18.6
96.08974	0.7
97.06500	0.9
97.10175	1.0
105.07026	14.4
107.04937	2.3
107.08584	35.4
109.06493	5.7
109.10136	3.0
115.05446	1.5
116.06220	2.9
117.06995	11.0
119.04935	0.7
119.08577	10.5
121.02807	1.1
121.06487	4.5
121.10133	3.5
123.08067	2.2
123.11682	1.8
125.09628	1.0
128.06226	0.7
129.06958	3.7
130.07817	1.4
131.04898	1.7
131.08554	43.9
133.06488	1.9
133.10103	3.1
135.04369	0.9
135.08023	3.5
135.11618	1.0
141.06947	1.3
142.07764	1.1
143.08539	4.2
144.09363	1.1
145.06482	4.1
145.10112	19.8
147.08034	4.9
147.11613	0.9
149.09569	1.4
155.08539	3.2
156.09361	0.8
157.10071	3.3
158.07246	0.8
159.08043	39.1
159.11652	11.8
161.09550	1.7
161.13213	1.3
163.11201	1.3
167.08540	1.2
169.10121	2.0
171.11653	0.9
173.09598	9.0
173.13243	8.8
175.07527	1.1
175.11073	0.8
177.09160	0.7
182.10857	2.5
187.11165	17.2
187.14790	15.9
193.05080	0.9
197.13208	6.5
200.11923	0.9
204.07753	1.7
207.10164	2.1
215.14294	100.0
216.14680	1.5
223.09602	2.2
233.15332	1.3
235.09599	4.5
245.08038	1.4
271.37976	0.8
275.12772	3.0
275.16516	1.5
275.19800	3.7
293.10248	2.2
293.13861	1.9
293.17389	5.9
293.21097	2.7
294.50967	0.8
303.26523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18972	3.1
64.19011	3.1
66.25748	2.9
71.32337	2.9
91.45044	2.9
119.01795	3.4
153.22618	3.1
161.02939	8.5
161.51610	3.1
161.99510	18.2
171.05939	3.5
173.02907	4.1
189.48346	3.0
293.06293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1015
Annotation	trans-5-Methoxydecursidinol
Peak:m/z	Relative Intensity
59.14272	0.4
67.05486	0.8
68.27561	0.4
69.27904	4.3
69.28239	0.4
71.77081	0.4
84.62854	0.4
90.04677	0.6
91.05473	1.3
105.06980	0.5
107.26228	0.5
114.76474	0.5
118.04160	1.3
133.02765	0.5
145.02841	0.6
146.03615	6.9
147.04402	3.2
148.05150	0.5
149.05994	0.7
159.04414	0.5
161.02310	3.0
163.03908	0.8
166.85318	0.4
175.03932	2.7
176.03157	0.4
176.04698	8.3
177.05437	2.3
191.03424	1.1
204.04176	0.9
205.04955	2.1
207.02859	0.7
209.04468	1.4
214.06253	1.2
221.04428	28.0
229.08540	0.7
248.64366	0.4
257.08066	0.4
275.09021	3.9
282.79929	0.5
293.10159	100.0
294.10388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1743
Annotation	Acetylvalerenolic acid
Peak:m/z	Relative Intensity
52.03614	1.2
52.67915	1.2
53.03939	2.0
53.90804	1.2
55.01845	1.8
55.05508	6.6
56.91439	1.2
56.96566	1.5
57.03418	5.6
57.07058	1.7
65.03893	1.8
67.05494	22.1
69.03408	1.2
69.07051	6.6
71.04966	1.9
71.52436	2.1
71.52827	1.2
79.05061	2.0
79.05481	21.4
81.07046	52.3
83.04949	2.6
83.08587	3.0
85.06537	1.6
88.58973	1.2
91.05461	22.5
93.07033	25.0
95.04947	5.3
95.08592	28.3
97.06494	4.8
97.10132	2.6
105.07021	25.9
107.04932	4.2
107.08584	30.2
109.06519	7.0
109.10139	25.7
110.06908	1.4
111.04424	3.2
111.08070	2.0
115.05421	1.9
117.07013	19.2
119.08561	18.1
121.06470	2.7
121.10130	7.8
123.08053	3.2
123.11702	2.8
125.05984	8.8
129.07011	4.3
130.07813	1.5
131.08546	61.2
133.06422	2.8
133.10089	10.0
135.07980	1.8
135.11673	2.2
137.05939	3.0
137.09612	3.1
139.07518	3.1
143.08531	2.8
145.06488	1.8
145.10107	34.1
147.08037	2.6
147.11668	8.7
149.05963	3.4
149.09593	5.9
151.07518	5.2
153.09106	2.6
155.08569	2.3
156.09352	1.3
157.10052	3.2
159.08029	5.7
159.11684	37.0
161.09685	2.1
161.13245	3.1
163.07515	9.6
163.11177	2.9
169.10112	2.5
171.11661	2.9
173.09659	6.3
173.13213	3.0
175.11179	1.8
177.09085	26.7
179.10591	1.5
185.13232	2.7
187.11211	3.5
187.14801	58.2
189.16328	1.4
191.10599	5.3
197.13240	6.8
203.14293	1.7
205.12173	5.4
205.15884	4.6
215.14293	30.4
219.17389	5.8
221.15407	1.7
229.19395	1.5
233.15340	57.4
264.04257	1.3
275.16867	2.7
275.20004	12.5
284.97485	1.3
293.10306	4.3
293.17426	100.0
293.20840	7.0
293.27747	5.5
294.17722	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	293.0542
Annotation	1,6-Dinitropyrene
Peak:m/z	Relative Intensity
50.70702	0.6
56.05006	1.5
56.96559	75.4
57.03419	2.0
57.55202	0.6
61.02906	2.7
68.96532	1.1
69.03411	2.9
69.73819	4.8
70.98117	1.9
71.95244	2.8
73.02892	0.8
74.97600	1.6
80.48399	0.7
81.03407	0.8
84.04469	0.9
84.08141	1.0
84.96024	28.7
85.02907	5.0
86.02462	0.7
88.99129	1.5
97.02882	2.8
98.21487	1.0
98.97574	67.5
101.00864	0.7
102.97057	2.7
103.73248	0.7
110.07127	0.8
110.97559	63.5
112.99117	2.5
116.98612	36.3
119.01871	1.8
124.99100	2.5
126.97015	1.4
127.00668	7.4
127.03912	1.2
128.98595	88.8
129.98907	0.7
131.00183	3.5
131.01811	1.0
131.03479	1.0
131.53349	0.6
134.99640	13.3
139.04005	0.6
140.00076	1.2
140.02364	0.8
140.98576	37.3
143.00140	9.6
144.98074	3.9
145.01666	5.1
146.99634	57.3
149.01186	2.8
152.98567	11.3
153.00638	1.9
153.65865	0.7
155.00177	1.9
158.99640	47.1
161.01228	13.7
162.99124	3.4
163.02773	1.8
165.00703	9.7
170.01225	1.5
170.99637	43.0
173.01201	4.7
174.99155	1.7
177.00694	16.9
178.70567	0.7
179.02237	3.1
182.01227	1.1
182.99612	15.7
183.04137	2.4
189.00690	37.8
191.02264	3.8
191.03809	1.0
194.01245	1.3
195.01671	1.1
201.00685	91.8
202.01074	0.8
203.02213	1.3
207.01688	5.8
212.02304	1.0
213.00754	2.1
213.03316	0.9
219.01747	60.0
221.03268	1.0
224.02388	3.3
230.06635	1.6
231.01749	1.8
233.03154	3.3
237.02789	63.9
238.03165	1.5
242.03308	2.3
243.01778	2.1
251.04366	46.2
255.03835	5.0
260.04587	1.6
261.02786	16.7
269.05429	29.7
274.05942	1.7
279.03867	12.8
292.07007	0.9
293.05414	100.0
294.05838	1.4
311.06503	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	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03930	6.5
55.05510	19.1
57.07062	2.6
62.98358	1.6
67.05499	37.0
69.07057	17.0
70.65655	5.7
73.88586	1.8
77.95830	1.7
79.05486	80.7
81.07047	57.2
82.44103	1.6
83.04938	2.5
83.08620	13.2
85.06507	4.3
91.05479	31.6
93.07033	100.0
95.04941	6.6
95.08602	36.7
97.06529	3.3
97.10176	4.7
105.07029	17.0
107.08583	64.2
109.06519	3.1
109.10160	15.9
115.07511	2.3
117.06975	5.2
119.08582	15.6
121.10138	54.1
123.11684	4.3
129.06897	2.6
131.08542	5.0
133.10124	15.0
135.07991	2.0
135.11679	66.5
143.08537	2.5
143.61214	1.8
145.10095	5.2
147.11691	11.9
149.09561	5.6
149.13240	46.0
157.10152	2.6
159.11697	5.3
161.13257	11.0
163.11168	2.4
163.14848	10.9
166.42816	2.0
171.11647	4.4
173.13232	2.4
175.11159	2.2
175.14825	7.1
177.12785	3.7
177.16512	2.6
185.13199	3.3
199.14769	2.2
203.14268	2.0
206.62827	1.8
213.16391	2.3
230.43745	1.9
231.17397	2.4
235.16806	3.2
241.19519	7.4
250.22409	2.0
259.20493	9.2
291.23166	75.8
292.23584	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	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.40574	1.0
53.03920	3.4
53.91219	1.1
55.01863	1.8
55.05507	17.8
56.91084	1.1
57.07064	2.4
59.04988	1.9
63.12765	1.2
65.03918	1.6
67.05132	1.9
67.05498	36.6
69.07063	15.9
70.56701	2.9
70.57053	1.7
75.43671	1.2
79.05486	65.8
80.98647	1.2
81.07047	44.7
83.08621	8.0
85.06512	3.6
91.05470	27.4
93.07036	100.0
95.04985	5.5
95.08598	31.7
96.08844	1.3
97.06552	1.4
97.10164	3.4
98.21431	1.4
105.04474	2.3
105.07026	13.9
107.08583	50.6
107.09312	2.6
109.06502	2.5
109.10147	12.8
111.08056	1.4
111.11674	1.3
117.07025	4.0
119.08562	12.1
121.10133	41.9
123.08070	1.2
123.11680	2.3
127.07564	1.1
129.06963	2.8
131.08545	5.9
133.10118	12.9
134.86424	1.2
135.11679	46.8
137.09583	2.3
143.08522	3.0
145.10097	5.2
147.11694	8.9
149.09546	1.7
149.13243	28.9
157.10072	2.8
159.11668	5.3
161.13205	7.4
163.11140	3.1
163.14810	9.3
168.67795	1.2
171.11658	4.4
173.13315	3.5
175.11006	1.6
175.14790	4.6
177.12837	2.7
179.14326	1.4
185.13300	2.8
189.12743	2.3
195.13817	1.2
199.14819	3.3
203.14333	1.3
209.15311	1.6
213.16357	2.8
221.15385	1.7
235.16942	2.3
241.19510	3.9
259.20615	8.0
291.23157	45.4
292.23425	2.1
307.59439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20965	1.5
53.03932	4.1
55.05505	17.1
57.07062	2.7
67.05495	38.2
69.07063	19.6
70.87593	3.4
71.04974	1.6
79.05485	63.8
81.07045	47.2
83.04982	2.1
83.08587	8.5
85.06519	4.7
87.54574	1.5
91.05470	28.1
93.07034	100.0
95.04965	6.2
95.08593	31.5
97.06532	3.4
97.10166	4.4
103.43177	1.4
105.04521	1.7
105.07018	17.5
107.08581	57.2
107.09312	2.9
109.06512	2.5
109.10149	14.4
111.08013	1.3
112.89528	1.6
113.32059	1.4
117.06970	4.4
119.08570	18.7
121.06499	2.4
121.10130	47.7
123.04437	4.7
123.08088	1.9
123.11681	4.0
124.15534	1.7
129.06996	2.1
131.08580	8.4
133.10135	14.2
135.08063	2.8
135.11678	51.7
135.12715	2.5
137.09557	1.4
139.03893	5.4
143.08574	2.9
145.10109	6.2
147.11685	11.1
149.09576	4.6
149.13243	35.0
157.10074	3.4
159.11728	5.9
161.13242	7.1
163.11176	4.7
163.14827	8.6
165.12634	1.8
171.11661	4.2
173.13251	3.6
175.14819	5.3
177.12779	3.9
185.13324	3.1
189.12749	2.8
199.14792	2.8
203.14362	2.6
209.15332	2.1
213.16449	1.7
217.16063	1.9
217.19501	2.0
221.15436	1.9
231.17410	2.5
235.17075	2.0
241.19510	3.7
246.06953	1.7
249.18437	3.0
259.20578	7.7
291.08621	2.3
291.19617	10.6
291.23163	56.6
292.23288	1.7
307.85223	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03925	5.2
55.01868	1.6
55.05507	19.2
57.07050	2.6
63.10699	1.4
67.05495	39.9
69.07063	17.5
71.42117	3.1
73.06528	1.7
79.05486	75.4
81.07046	45.8
83.04961	2.7
83.08612	12.3
85.06533	3.9
91.05473	28.1
93.07037	100.0
95.04962	7.6
95.08600	36.5
97.10142	6.0
105.07018	18.2
107.07884	3.1
107.08586	58.4
109.06501	4.7
109.10139	15.7
111.08072	3.0
115.07426	1.8
117.07007	4.9
119.04887	1.9
119.08583	13.8
121.10132	42.9
123.04374	2.4
123.08041	3.2
123.11722	4.2
125.09528	1.9
129.06940	2.4
131.08534	6.6
133.10098	13.7
135.08044	2.9
135.11682	52.9
137.09631	3.3
139.03886	4.7
143.08553	2.2
145.10062	7.1
147.08052	1.8
147.11665	11.9
149.09630	2.4
149.13254	32.7
157.10158	3.5
159.11659	4.4
161.09560	1.9
161.13229	9.9
162.62067	1.6
163.11087	3.7
163.14816	9.0
171.11597	4.7
173.13281	1.8
175.11063	1.6
175.14763	4.3
177.12694	2.6
177.16423	2.5
185.13187	4.7
199.14830	2.0
203.14278	1.7
213.16359	2.1
217.19463	2.5
231.17360	1.8
241.19418	2.6
259.20581	8.4
291.08817	1.8
291.19522	13.0
291.23129	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	1.1
55.01868	2.5
55.05502	8.3
57.03440	1.3
57.07061	2.4
59.04999	2.2
61.84236	0.9
65.03926	1.3
67.05489	5.8
69.03428	2.2
69.07075	2.5
70.48866	3.0
71.04966	3.3
79.05485	9.2
79.97884	1.0
81.07053	7.0
83.04964	2.5
83.08604	9.4
85.02876	2.6
85.06544	2.5
88.05045	1.0
91.05477	9.1
93.07038	13.4
95.04973	6.3
95.08598	18.3
97.06506	4.6
105.07010	8.8
106.07357	1.2
107.04941	14.2
107.08567	8.1
109.06497	8.9
109.10138	3.1
111.08065	40.8
113.09595	1.7
117.06977	2.0
119.08560	8.8
121.06474	3.0
121.10126	6.7
122.07280	1.9
123.04430	3.2
123.08056	35.2
123.08947	1.9
123.11626	1.6
131.08575	5.7
133.06471	2.7
133.10133	7.9
135.08051	5.9
135.11644	3.1
137.09604	3.3
139.03867	5.8
141.59169	1.3
143.08499	2.5
145.10092	6.6
147.07994	3.3
147.11668	5.7
149.09583	7.2
149.13243	1.1
151.07524	100.0
155.10658	3.4
156.09352	1.4
157.10112	4.6
159.08029	2.3
161.09615	3.1
163.11165	4.5
165.05418	1.6
165.09027	1.4
171.11646	4.0
173.09610	3.1
173.13203	5.3
174.10411	1.3
175.11189	5.3
177.09067	2.6
179.10664	5.0
187.14845	1.3
189.12720	26.2
191.10654	1.6
191.14253	11.8
192.11427	4.6
197.11691	12.3
197.13235	2.0
205.12299	1.4
207.13777	56.6
213.16376	3.1
215.14308	3.2
217.12198	2.9
231.17438	2.2
233.15349	39.8
235.13269	2.6
247.16850	1.8
249.18570	1.8
255.17523	2.6
273.15927	1.4
273.18311	6.2
291.08759	1.7
291.19516	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	7.0
55.01865	9.5
55.05502	28.5
57.03421	7.4
57.07067	14.4
57.25211	3.8
59.69522	3.6
67.05500	36.6
68.99788	4.2
69.03419	11.6
69.07060	38.3
71.04980	7.9
71.52320	4.1
71.52764	4.7
79.05484	41.3
81.03402	10.8
81.07051	66.4
83.04969	10.8
83.08604	18.7
85.06541	7.3
91.05468	38.8
93.07032	61.3
95.04979	22.2
95.08603	64.1
97.06524	13.9
97.10146	10.7
97.47292	3.3
105.07036	42.9
107.04955	15.2
107.08577	53.3
109.06514	44.6
109.10160	31.5
111.04498	4.3
111.08072	12.1
111.11736	7.0
115.05455	6.7
117.06995	16.7
117.07735	4.5
119.04919	14.6
119.08575	29.4
121.06476	11.2
121.10135	52.0
123.04429	69.9
123.08054	16.6
123.11686	17.7
125.09605	14.1
129.06998	7.5
131.08536	17.3
133.10110	17.3
135.08049	27.4
135.11682	18.6
137.06038	5.7
137.09666	5.3
137.13235	6.8
139.03886	91.6
139.11145	7.0
142.07790	5.9
143.08569	9.9
145.06493	4.6
145.10106	17.2
147.04401	21.2
147.08043	12.9
147.11682	19.6
147.84023	4.0
149.09615	17.1
149.13240	12.9
151.07558	15.2
157.10121	13.2
159.07980	4.5
159.11674	10.7
161.05937	10.1
161.09680	6.6
161.13248	5.8
162.06480	4.1
163.03912	4.7
163.11166	9.1
163.14935	4.2
165.05470	12.5
167.10672	100.0
169.10138	3.9
171.11673	5.8
173.09633	8.0
173.13300	11.3
175.11159	11.8
175.14964	4.9
177.16272	3.8
179.07117	7.1
181.02116	4.3
185.13271	5.7
189.05481	5.1
189.12744	9.0
189.16348	5.7
191.10680	11.9
191.14249	9.1
197.13329	4.7
199.11150	5.0
207.06483	6.9
207.13739	7.0
213.12772	4.0
231.13806	4.9
231.17360	4.7
233.15411	20.7
247.90559	4.1
249.18629	4.9
255.17432	6.0
273.18521	28.6
273.25748	10.7
291.08545	18.8
291.15814	14.9
291.19525	73.0
291.26740	33.5
301.74057	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	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.69819	0.7
53.03947	1.4
55.01861	1.7
55.05501	6.4
57.03421	1.4
57.07059	2.3
59.04983	2.2
67.05496	6.1
69.03414	1.7
69.07060	2.4
69.87585	3.4
71.04974	2.8
79.05480	6.6
81.03391	1.0
81.07040	9.6
82.11189	0.6
83.04963	3.0
83.08597	4.4
85.06550	2.2
88.07624	1.0
91.05465	7.8
93.07037	11.8
95.04961	6.0
95.08595	15.0
97.02847	0.8
97.06518	3.7
105.07023	13.1
107.04928	6.3
107.08569	8.8
108.05692	1.0
109.06506	9.7
109.10162	3.4
111.08065	25.5
113.05946	1.3
113.09668	0.9
115.05425	1.4
117.07002	3.1
119.04871	1.2
119.08582	10.4
121.06503	2.8
121.10125	6.1
122.07261	2.5
122.09489	0.7
123.04430	5.3
123.08049	38.9
123.11668	1.1
125.09599	1.7
128.06190	2.8
129.06999	4.2
131.08540	6.2
133.06476	4.4
133.10117	8.2
135.08073	6.2
135.11708	3.6
137.09579	4.2
139.03889	6.6
139.07599	0.7
139.11189	1.0
141.05464	1.4
143.08531	2.8
144.09346	0.9
145.06473	1.4
145.10085	12.9
145.11157	1.1
147.07997	4.6
147.11674	7.2
148.08797	0.7
149.09605	7.5
151.07523	100.0
152.07901	1.0
155.08583	1.7
155.10614	1.0
156.09373	1.0
157.06464	2.5
157.10112	4.9
158.10876	0.9
159.08051	2.1
159.11646	3.5
161.09583	7.8
161.13242	2.0
163.11142	4.1
165.05415	1.0
171.11685	2.9
173.09622	1.6
173.13277	4.6
174.10391	2.9
175.11186	3.8
177.09103	1.9
179.10669	4.8
181.12209	1.0
185.05927	3.0
185.13228	2.0
187.11147	2.6
187.14868	1.2
189.12724	28.1
191.10631	1.3
191.14296	5.5
192.11417	5.0
197.11720	14.9
197.13264	1.3
202.05792	1.6
203.14310	2.0
205.12225	1.0
207.13776	70.8
208.14134	1.3
211.14766	1.1
213.05435	2.3
213.16327	2.1
215.14325	3.4
217.12213	3.1
224.18207	0.8
227.06889	0.9
229.23567	1.4
230.05681	1.1
231.13785	0.9
231.17418	2.1
233.15338	13.3
233.17548	1.1
235.13229	1.5
249.14720	1.1
255.17407	2.3
258.04724	1.3
259.05966	2.2
273.07477	2.3
273.18481	7.6
276.05872	2.1
291.08606	12.6
291.16205	2.1
291.19498	43.8
291.26987	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	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.27880	1.3
51.68093	1.3
53.03938	4.2
53.76679	1.4
55.01868	23.0
55.05506	18.3
57.03431	10.9
57.07036	1.8
62.29552	1.4
64.67015	1.3
65.03912	1.8
67.05500	22.4
69.03422	5.6
69.07069	8.8
69.40910	13.4
79.05487	48.4
79.66734	1.5
81.03391	2.3
81.06592	2.6
81.07047	35.6
83.04972	5.1
83.08616	7.2
85.06529	3.8
91.05472	35.7
93.06480	2.7
93.07034	31.0
95.04972	13.8
95.08595	19.1
97.06514	4.2
97.10164	3.4
97.95766	1.4
98.20799	2.7
100.80646	2.1
105.07027	25.1
107.04956	17.4
107.08578	33.3
109.06510	64.4
109.10130	5.8
111.08051	3.4
115.05429	3.4
117.07009	19.9
119.04926	2.6
119.06119	1.7
119.08572	21.3
121.06528	9.2
121.10105	10.2
123.03574	2.3
123.04422	27.0
123.08102	7.4
123.11685	2.7
125.09625	4.7
129.07007	10.5
131.08560	15.0
133.06477	4.2
133.10118	10.3
135.08043	100.0
135.11636	7.5
137.05972	1.7
137.09639	3.2
139.03896	32.9
142.07761	1.9
143.08580	8.8
145.06497	1.8
145.10107	13.0
147.04419	9.1
147.08028	10.1
147.11705	3.8
148.12044	1.7
149.09610	11.8
149.13298	3.1
151.03835	1.7
151.07410	1.6
151.11148	6.7
155.08554	1.6
157.10094	6.5
159.08008	4.0
159.11644	8.7
161.05977	3.2
161.09622	10.3
161.13295	1.9
163.11171	3.6
165.05455	5.9
171.11678	6.6
173.09676	1.8
173.13249	3.6
175.11215	3.8
177.12712	1.7
185.13184	2.8
185.35887	1.6
187.11197	1.8
189.12779	2.1
191.14317	4.6
195.11589	1.8
197.82413	1.6
199.14793	5.6
209.46664	1.6
217.15889	20.5
231.06630	1.4
231.13734	2.3
249.14862	3.3
255.17386	2.9
273.18491	28.9
273.21545	2.0
291.08640	4.4
291.19510	66.3
291.23114	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	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	0.9
55.01679	0.2
55.01870	2.3
55.05506	7.4
57.03418	0.4
59.04990	0.5
62.88858	0.2
65.03937	0.4
65.22004	0.2
67.05496	5.3
69.03406	1.2
69.07063	3.0
70.92233	0.3
71.04969	1.1
74.41752	0.2
76.98325	0.2
79.05485	6.6
79.05957	0.2
81.03403	0.9
81.07043	6.0
83.04955	1.1
83.08604	3.0
85.06565	0.3
91.05471	7.0
93.07034	5.9
94.04152	0.4
95.04948	2.9
95.08581	1.9
96.77396	0.3
97.06527	0.6
97.10165	3.0
105.03387	0.4
105.07028	6.8
107.04948	2.7
107.08588	3.1
108.05743	0.4
109.06506	0.7
109.10141	1.2
111.08026	0.6
115.05415	0.4
116.06219	0.4
117.07005	2.7
119.04942	1.9
119.08575	4.9
120.05703	0.8
121.06508	1.7
121.10106	1.5
123.04448	0.7
123.08029	1.0
123.11708	0.3
125.09592	1.2
128.06192	0.5
129.06958	2.0
130.07785	0.7
131.08554	2.5
132.05655	0.3
133.06477	3.1
133.10133	1.4
134.07246	1.0
135.08029	1.3
135.11690	0.6
137.09584	0.4
139.03868	1.0
141.06946	0.4
143.08543	1.4
145.10101	2.1
147.04413	0.3
147.08038	2.8
147.11630	0.7
149.09579	1.3
157.10126	1.0
159.08046	0.5
159.11665	0.6
161.09589	1.1
161.13301	0.3
162.10353	1.9
163.11203	0.7
165.09174	0.5
171.11624	0.7
175.11145	0.9
185.13203	0.4
203.14275	0.4
223.13268	0.8
229.53261	0.3
245.19022	0.4
249.14880	1.8
255.17516	0.3
261.14761	0.4
273.16046	0.3
273.18539	2.5
291.19510	100.0
292.19852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03927	0.9
54.97103	0.9
55.01859	3.7
55.05503	5.5
57.03431	13.2
57.07033	0.8
67.05486	9.9
69.03413	2.1
69.07055	3.8
71.04995	1.2
71.08642	1.5
71.52944	1.3
79.05482	12.9
81.07042	12.3
83.04966	2.1
83.08608	2.6
85.06509	2.9
91.05461	15.9
93.07042	11.8
95.04947	3.8
95.08604	9.1
97.06528	1.2
97.10149	1.2
99.08080	2.5
104.64222	0.9
105.07024	13.7
107.04923	3.2
107.08577	7.5
109.06510	14.2
109.10150	2.2
111.04362	1.2
115.05418	1.9
117.07010	6.8
119.04927	4.5
119.08565	7.1
119.71471	1.2
121.06495	3.4
121.10150	4.1
122.07246	1.6
123.04414	22.0
123.08070	6.2
123.11732	1.5
128.06215	0.9
129.06995	4.0
130.07831	1.0
131.08546	7.1
133.06482	4.3
133.10086	4.9
135.08035	13.3
135.11638	2.3
137.09624	1.2
139.03886	29.6
141.06960	1.2
143.08553	3.5
145.10114	3.5
147.04410	7.0
147.08029	5.3
147.11650	2.4
148.08835	1.8
149.09615	5.1
149.13202	1.1
151.07520	2.9
151.11215	1.4
157.10100	4.8
159.11681	2.8
161.05981	2.6
161.09575	4.0
162.10489	1.2
163.11171	2.1
165.05475	4.7
171.11682	2.4
173.13171	1.5
175.11121	2.7
175.14807	1.2
179.06966	1.5
189.12744	1.7
189.16255	0.9
193.12196	1.2
195.11774	0.9
199.14775	1.6
203.08522	0.9
207.06435	1.6
217.15851	5.1
231.13826	1.5
235.16913	3.5
255.17384	2.4
259.07574	1.2
260.08228	1.1
273.07593	1.2
273.18472	9.2
291.19516	100.0
292.19888	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.87413	0.9
52.69865	1.0
53.03931	2.2
55.01867	20.5
55.05506	10.0
56.05011	3.2
57.03431	18.1
57.07059	2.5
58.06567	1.5
65.03919	2.8
67.05498	22.4
68.27007	1.0
69.03407	1.5
69.07047	2.8
69.84711	5.1
71.04965	1.6
74.06056	2.5
79.05485	41.0
81.03403	1.2
81.07051	17.3
83.08594	3.8
83.67203	0.9
85.06525	3.8
88.07619	9.5
89.07950	1.7
91.05474	28.4
93.07030	15.6
95.04952	24.7
95.08594	9.8
97.06519	2.0
97.10124	1.3
105.07022	18.8
107.04935	12.3
107.08576	25.5
109.06503	62.6
109.10125	3.2
111.08070	1.9
115.05446	2.7
116.06223	1.9
117.07002	10.4
119.04901	1.8
119.06019	1.1
119.08554	6.2
121.06483	2.9
121.10149	4.7
122.08097	1.2
123.04411	1.2
123.08006	1.6
128.06264	1.1
129.06946	5.8
131.08563	14.2
133.06453	2.6
133.10121	7.2
135.08035	100.0
135.11655	4.5
141.06992	1.2
143.08537	7.0
145.10100	9.3
147.08037	4.0
149.09618	6.9
149.13235	1.3
155.08586	1.3
157.10109	5.5
159.08069	2.4
159.11647	4.2
161.09573	9.2
163.11147	1.9
171.11671	2.7
173.13239	2.3
175.11182	2.2
177.12724	2.5
183.11766	1.5
185.13214	1.9
187.11009	1.2
199.11142	1.2
199.14824	3.5
201.12720	1.3
217.15849	17.5
227.17949	1.8
243.25113	11.1
245.18811	2.6
251.61737	1.0
255.17511	2.1
273.18475	19.5
291.19525	36.2
291.27173	29.1
292.19864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	6.2
55.01871	15.9
55.05240	2.3
55.05505	37.3
57.03414	4.9
57.07060	3.3
59.11042	1.6
65.03918	2.6
67.05500	41.4
69.03426	9.4
69.07062	16.9
71.04975	6.3
71.41619	3.4
79.05486	69.5
80.10129	1.6
81.03401	3.6
81.07047	66.3
81.07533	3.2
83.04949	4.9
83.08611	17.9
85.02876	1.9
85.06514	4.5
91.05473	58.1
93.07034	49.9
95.04961	24.8
95.08595	29.4
97.06528	4.2
97.10171	13.0
99.08110	1.9
103.05438	4.1
105.03384	4.1
105.04485	2.0
105.06318	1.8
105.07022	41.1
107.04945	19.5
107.08587	31.3
109.06493	13.8
109.10165	8.9
111.08067	28.5
115.05431	6.7
116.06207	3.8
117.07002	45.5
119.04937	7.8
119.05906	1.4
119.08572	69.1
121.06488	25.7
121.10135	17.6
122.07243	2.2
123.04421	8.1
123.08067	19.8
123.11672	1.9
125.09608	13.1
128.06226	7.2
129.06979	17.0
130.07751	6.4
131.08562	38.5
132.05692	1.9
133.06482	9.7
133.10117	15.5
135.08029	15.3
135.11674	6.0
137.09613	3.4
139.03862	10.8
139.11154	2.8
141.06895	3.0
142.07674	2.3
143.08562	21.6
145.06473	3.1
145.10118	40.5
147.04399	3.5
147.08023	35.5
147.11656	6.3
149.09604	12.8
149.13193	1.9
151.07516	41.5
155.08530	2.5
157.10092	15.5
158.10489	1.5
159.08025	6.1
159.11694	11.1
161.09605	14.2
161.13197	2.8
163.11171	8.7
165.05397	2.4
169.10066	4.9
171.11633	7.6
173.09607	3.2
173.13234	5.2
174.10370	1.6
175.11143	5.5
178.87651	1.6
179.10559	2.4
181.10056	1.6
183.11566	2.6
185.09573	2.0
185.13220	7.0
189.11153	7.1
189.12735	13.5
192.11417	2.8
195.11662	5.2
197.11678	5.3
197.13295	1.7
199.11238	2.3
199.14758	1.7
201.12726	2.4
202.70985	1.5
203.14368	3.1
207.13776	24.9
211.14836	2.5
213.12723	4.2
213.16353	2.1
217.12198	1.8
217.15974	1.6
219.13795	1.6
223.13205	2.7
227.17953	4.9
231.13869	4.2
233.15378	3.3
237.16289	3.5
245.08015	1.6
245.18929	4.0
249.14850	17.5
254.12309	1.4
255.17429	9.6
273.18478	53.4
291.19495	100.0
292.19839	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.14301	3.9
53.03938	8.3
55.01873	23.2
55.05511	28.8
57.03437	20.5
58.21267	3.4
65.03915	6.1
67.05180	6.1
67.05501	74.7
67.98826	3.8
69.03394	10.4
69.07050	18.9
71.04950	6.2
78.87424	4.2
79.05489	65.2
81.03413	6.4
81.07047	66.9
83.04974	14.2
83.08624	10.1
91.05470	63.3
93.07027	50.3
95.04961	100.0
95.08604	27.2
97.06499	11.9
97.10150	9.1
98.21615	7.7
103.05489	4.1
105.07016	45.1
107.04931	37.5
107.08585	34.9
109.06506	90.7
109.10148	12.5
109.24792	4.5
111.08078	8.5
115.05429	6.7
117.07001	27.4
119.04919	10.3
119.08593	36.1
121.06502	11.7
121.10123	15.9
123.04411	62.3
123.08064	6.1
125.09566	6.0
129.06969	16.0
131.08542	37.9
133.06447	8.2
133.10103	13.3
135.08038	89.6
135.11690	8.9
137.05951	6.1
137.09668	4.3
139.03903	99.8
143.08534	16.5
145.10123	30.3
147.04443	19.3
147.08070	15.0
147.11703	11.5
149.09610	14.8
149.13243	4.9
151.07527	5.6
157.10112	12.4
159.07959	4.3
159.11690	11.2
161.05968	12.7
161.09613	10.8
161.13287	4.9
163.11185	7.4
165.05466	13.1
165.09087	6.5
173.09563	5.9
175.11139	6.5
179.14436	4.5
180.09615	4.5
185.13309	7.6
187.11246	4.7
189.11122	5.1
207.06606	5.6
217.15837	15.5
227.17783	7.2
245.19037	9.4
249.14705	6.8
255.17474	4.9
273.18512	50.6
273.21414	7.1
291.08652	12.7
291.12308	14.4
291.16132	6.3
291.19522	81.6
291.27155	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	291.1947
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	7.9
55.01867	18.1
55.05505	45.4
57.03419	4.2
67.05496	31.9
69.03411	9.3
69.07051	11.3
70.77837	5.1
71.04982	5.2
74.78406	2.4
79.05485	66.0
81.03406	4.3
81.06593	4.2
81.07046	62.2
82.07395	2.6
83.04964	9.1
83.08597	21.4
85.06530	2.7
91.05469	67.6
93.07038	28.0
95.04946	16.1
95.08601	16.4
97.06516	3.5
97.10166	31.5
105.03392	6.9
105.07006	31.4
107.04943	21.8
107.08562	28.3
109.06503	7.5
109.10140	15.3
111.08059	8.8
115.05444	4.6
117.06988	39.1
119.04890	4.3
119.08559	80.1
121.06483	18.0
121.10095	10.3
123.04412	6.3
123.08071	9.6
125.09618	27.6
128.06203	4.7
129.06981	9.6
131.08549	29.7
133.06456	6.1
133.10106	9.6
135.04449	3.5
135.08031	16.8
135.11693	3.7
139.03899	11.8
143.08557	18.5
145.06453	4.9
145.10095	34.1
147.08026	55.0
147.11690	4.7
149.09596	5.7
151.07544	11.6
153.09099	4.1
157.10141	11.5
159.08020	30.7
159.11656	10.8
161.09616	11.3
163.11162	7.5
169.10095	4.0
171.11688	5.9
173.09607	2.9
175.11177	6.8
175.14886	2.8
185.09361	3.6
185.13290	5.5
189.11163	9.1
189.12733	7.5
199.11197	4.8
203.14293	2.7
207.13780	10.0
219.10152	8.1
223.13335	3.2
227.17986	7.0
231.13771	3.4
245.19002	5.6
249.14850	8.6
255.17453	9.4
273.18463	100.0
291.16132	5.2
291.19467	79.5
291.27002	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	291.097
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
55.05498	1.7
63.02472	1.2
64.96700	1.1
67.05480	1.3
67.95355	1.2
69.03445	1.3
69.07060	1.9
69.52609	9.4
70.06582	2.7
70.81921	1.3
71.08630	1.2
72.08149	1.3
78.23066	1.3
80.08765	1.1
81.03413	1.4
81.07030	2.4
83.04990	1.6
84.04512	2.2
84.08118	1.8
85.02909	1.7
86.09669	2.4
87.00832	2.1
88.03989	2.3
91.05492	4.1
93.07050	1.3
95.04975	1.3
97.06552	1.4
98.98431	1.5
99.08112	2.3
99.15439	1.2
100.02195	2.8
105.07025	2.1
109.02929	1.8
109.06508	1.4
111.04443	2.6
113.04890	1.3
115.05463	7.1
117.05753	1.6
117.07035	1.9
118.06525	13.1
119.04947	4.6
120.08082	1.5
121.10104	1.4
123.04422	25.4
128.06180	1.7
129.06978	4.1
130.06516	100.0
132.08073	38.5
132.09021	2.9
135.04384	2.7
135.88167	1.3
137.05983	1.7
139.02803	2.0
139.03889	40.3
142.06505	12.2
143.07343	2.3
144.08067	7.1
146.06010	18.9
147.04407	7.0
151.03900	2.1
153.12791	1.5
156.08058	4.5
157.07507	6.3
158.05936	2.4
158.08397	5.7
159.09164	88.5
160.06442	1.5
160.07565	8.2
160.09535	1.4
161.05977	3.0
163.03886	1.9
165.05432	6.6
167.06065	2.8
170.05992	35.7
172.07558	2.5
175.03896	1.6
178.02628	1.5
179.03455	3.1
181.07625	2.2
183.09186	6.2
184.07550	17.8
185.07103	46.8
186.07431	1.7
187.08685	4.5
188.07047	41.9
200.07031	9.4
201.10257	12.2
206.02129	1.4
207.02899	3.2
207.06520	3.8
209.07076	2.4
213.05434	1.6
217.01295	2.2
217.67841	1.4
223.02390	2.3
227.08151	47.0
227.10423	2.7
228.08534	1.4
229.09807	4.1
231.07738	2.6
233.04514	4.6
234.01721	1.6
237.03993	2.2
245.09210	79.8
246.09515	2.2
255.07684	3.4
259.06006	3.8
267.53970	1.3
273.08841	6.2
277.07080	4.1
291.08829	12.1
291.19699	2.3
309.09653	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	291.1701
Annotation	CL 22T
Peak:m/z	Relative Intensity
55.01852	2.0
55.05491	2.4
59.14087	0.5
59.31252	0.5
62.88802	0.5
67.05487	1.2
69.03415	0.7
69.92377	0.5
70.06590	1.0
70.32111	2.2
72.04508	25.6
79.05473	0.9
81.07031	1.5
82.06532	0.9
83.04949	0.7
83.08595	0.8
84.04526	0.7
85.02877	0.6
88.03969	1.1
91.05464	2.0
93.07035	1.3
95.04941	1.4
95.08585	1.1
99.00780	1.2
100.11237	2.5
105.07035	1.6
107.04958	0.7
107.07294	0.6
107.08587	1.1
108.45647	0.7
109.02893	0.8
109.06497	1.0
109.10153	0.9
110.06017	1.3
111.04430	1.8
114.48357	0.6
118.06525	15.0
119.04913	1.8
119.08549	0.8
121.10155	0.6
123.04421	17.5
123.05324	0.8
124.04697	0.7
125.46929	0.6
127.03905	1.1
128.07048	0.8
129.06960	1.0
131.08542	1.0
132.08080	5.5
133.08870	1.8
133.10162	0.6
134.09641	1.1
135.08034	0.7
139.03889	23.5
140.04184	1.0
141.11494	1.8
143.04918	0.8
143.08476	0.7
144.08044	5.9
145.08858	0.6
146.09636	5.2
147.04396	6.7
151.03867	0.8
157.10056	0.6
158.09630	2.4
159.10475	0.8
160.11224	1.2
161.05974	2.1
163.03922	1.0
165.05498	2.7
171.09235	0.9
172.11243	1.8
174.12837	0.7
176.14326	100.0
177.05524	0.7
177.14563	1.4
179.07040	0.9
182.15392	1.8
187.08669	1.4
189.10179	1.8
202.15887	40.3
203.11815	1.7
203.16208	0.8
204.66492	2.3
207.06441	1.6
210.14842	1.6
217.08325	0.6
217.13280	0.7
218.66148	1.5
229.16965	6.1
229.92537	0.7
245.16458	14.4
246.14885	2.5
247.18030	33.6
248.18436	0.7
273.15973	9.3
274.14340	37.2
275.14597	0.8
291.08493	4.2
291.17001	95.8
292.17261	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02367	0.4
53.00290	0.4
53.03936	0.5
55.01865	1.9
55.05486	0.4
56.96547	0.9
57.85798	0.4
65.03925	1.3
67.05487	1.7
68.99786	2.5
69.03410	0.6
69.07064	0.4
69.17872	4.6
70.06564	0.8
79.05459	0.9
79.23619	0.4
81.03400	1.1
81.07053	1.0
83.04971	1.9
85.02893	0.9
86.09701	0.6
91.05462	1.9
93.03377	0.9
93.07012	0.4
95.04969	3.7
97.02863	0.8
98.06062	0.6
98.20774	0.6
99.00830	0.5
99.04440	0.6
105.03381	0.9
105.07027	1.2
107.04948	1.2
107.08576	0.4
109.02861	0.5
109.06534	0.4
111.00720	0.4
111.04438	4.4
115.05453	1.7
115.14733	0.3
117.07010	0.4
119.04932	6.5
119.08565	0.7
120.08125	0.8
121.10122	0.4
123.04414	69.6
124.04777	1.3
125.02309	0.4
127.03918	2.1
129.07019	0.6
130.06535	1.6
131.04930	0.7
131.08583	0.4
131.16679	0.3
133.06494	1.3
133.36630	0.4
135.04393	1.9
135.11736	0.4
136.04692	0.4
137.02322	1.5
137.05000	1.1
137.05965	1.0
137.87025	0.4
139.03885	100.0
140.04251	1.9
143.04906	3.1
147.04388	22.3
149.05965	0.8
151.03886	2.7
151.07530	0.8
153.05466	0.5
159.04413	0.7
159.09204	1.5
161.05962	8.3
163.03922	2.4
163.10983	0.4
165.05469	14.3
166.08662	0.4
169.04945	1.4
170.05957	0.6
171.04428	0.4
177.02260	0.4
177.05408	0.8
179.06967	3.0
181.05005	1.2
188.07080	0.7
189.05470	2.0
195.03238	0.6
207.06514	6.7
227.08093	0.5
228.10231	0.7
231.06398	0.7
245.09258	1.6
245.12785	0.5
249.07535	1.3
255.17416	0.5
273.07523	1.8
273.12228	0.8
291.08566	6.6
291.13083	2.5
291.16055	0.5
314.92325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
55.01853	1.9
65.03930	1.2
67.05500	1.5
68.99782	2.0
70.57978	0.4
70.58308	1.0
73.61565	0.4
77.03925	0.5
79.08310	0.4
83.04971	2.0
91.05468	1.3
93.03391	1.3
95.04965	2.8
99.88483	0.4
105.03368	0.8
111.04439	3.2
115.05417	1.6
119.04928	7.1
123.04417	68.6
124.04768	1.2
127.03925	1.4
131.04875	0.4
133.06436	0.9
135.04369	0.8
137.02327	0.9
139.03886	100.0
140.04204	1.4
143.04913	2.9
147.04396	21.6
148.04723	0.5
151.03883	2.2
153.05431	0.8
161.05983	7.6
163.03900	1.8
165.05466	16.5
169.04945	1.4
177.05507	0.9
179.07050	2.4
181.04947	1.2
189.05440	1.8
201.73003	0.4
202.37692	0.4
207.06517	6.7
249.07446	1.3
272.15512	0.4
273.07440	0.9
291.08591	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05503	0.3
65.03934	0.8
67.05500	1.9
68.99772	2.3
69.03412	0.4
77.03929	0.6
83.04954	1.7
85.02879	0.6
88.28425	0.3
91.05478	1.6
93.03397	1.5
95.04961	3.8
97.02853	0.6
99.00851	0.4
105.03381	1.0
105.06995	0.7
107.04961	0.7
110.98042	0.3
111.00887	0.4
111.04425	3.3
113.08067	0.3
115.05459	1.5
118.81591	0.3
119.04942	7.1
119.05784	0.4
121.02882	0.3
123.04418	67.6
124.04791	1.0
125.05946	0.3
127.03885	1.2
131.04877	0.4
133.06448	1.3
135.04416	0.6
137.02335	1.0
137.05975	1.0
139.03888	100.0
140.04227	1.2
143.04907	3.1
147.04398	22.8
148.04755	0.4
151.03850	1.9
151.07552	0.6
153.05476	0.8
161.05966	8.8
163.03868	1.7
164.04597	0.3
165.05461	13.7
169.04956	1.3
177.05516	1.5
178.11754	0.3
179.07024	3.4
181.04903	0.6
189.05435	2.5
205.08618	0.4
207.06509	6.6
249.07648	1.0
261.68591	0.4
268.40530	0.3
273.07614	1.7
291.08600	4.6
291.13568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.09189	0.5
55.01866	1.7
59.16712	0.5
65.03931	0.7
67.05486	1.3
68.99771	1.9
69.20703	6.6
78.84496	0.5
79.41183	0.6
82.03000	0.6
83.05002	1.1
84.39067	0.5
91.05470	1.8
93.03379	1.2
93.91527	0.6
95.04968	3.2
105.03345	0.6
105.06984	0.6
107.74366	0.5
111.04440	3.4
115.05483	1.3
119.04928	6.9
123.04419	66.4
124.04845	0.7
127.03880	0.8
133.06494	1.4
135.04396	0.6
137.02325	0.9
137.05948	0.7
139.03893	100.0
140.04221	1.6
143.04915	2.3
147.04398	20.1
151.03914	1.9
151.07509	0.7
159.04346	0.6
161.05968	9.0
163.03903	2.1
165.05469	13.3
169.04936	1.8
177.05444	1.3
179.06993	3.3
181.04878	1.0
189.05423	2.0
207.06502	7.1
249.07549	1.5
254.72600	0.7
273.07541	1.5
291.08636	4.6
309.07663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01859	1.0
61.38401	0.6
65.03928	0.6
67.05519	1.2
68.99764	1.0
70.98400	0.6
70.98734	1.6
89.19521	0.5
91.05485	1.6
93.03401	1.1
93.48914	0.7
95.04956	2.5
97.02819	0.8
105.03388	0.8
111.04430	3.0
115.05434	0.7
119.04932	4.8
123.04417	63.4
124.04771	0.7
127.03913	1.8
130.48621	0.6
133.06398	0.7
135.04453	0.9
137.02296	1.2
137.05981	0.7
139.03888	100.0
140.04257	1.4
143.04915	1.3
147.04398	20.7
151.03873	3.0
153.05481	1.3
161.05974	7.9
163.03915	2.0
165.05467	14.2
167.03362	0.6
169.04922	1.4
177.05562	1.3
179.07013	2.5
179.13147	0.6
181.04866	0.9
189.05438	1.4
207.06499	6.8
243.01219	0.6
249.07703	1.0
273.07547	1.2
291.08539	4.9
309.12836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Catechin
Peak:m/z	Relative Intensity
51.02381	0.9
53.03938	0.8
55.01866	2.1
55.05498	1.4
57.03442	0.6
65.03931	1.3
67.05499	2.6
68.99784	3.0
69.03416	1.2
69.07064	0.9
70.06574	0.6
70.71597	1.5
71.08643	2.7
71.10725	0.4
73.02865	0.4
73.66232	0.5
77.03915	0.5
79.05481	1.1
81.03400	1.1
81.07043	1.2
83.04977	3.5
83.08614	0.6
85.02888	0.7
91.05461	3.8
93.03388	0.9
93.07032	1.6
95.04966	3.2
95.08613	1.1
97.02880	1.0
97.06553	0.5
98.98429	0.5
99.00798	0.8
99.04426	0.7
99.08086	3.6
105.03400	0.8
105.07014	1.6
107.04977	0.8
107.08547	0.6
109.02895	0.6
109.06512	0.8
109.10082	0.9
111.04444	4.0
112.62479	0.4
115.05447	1.9
119.04921	6.4
119.08515	1.0
121.06425	0.6
123.04414	69.1
124.04758	0.9
127.03893	1.5
128.06223	0.5
130.06505	0.9
133.06494	1.0
133.10139	0.8
135.04414	1.2
135.11705	0.6
136.04695	0.5
137.02293	0.5
137.05927	1.0
139.03886	100.0
140.04248	1.7
143.04916	3.1
143.08511	0.5
145.06517	0.5
145.10097	0.8
147.04390	23.8
147.08081	0.5
149.09639	0.6
151.03880	3.2
151.07503	0.9
153.05438	0.7
153.12712	2.3
157.06563	0.8
161.05957	9.6
163.03873	2.6
165.05460	14.7
169.04965	1.5
169.12209	0.5
170.05971	0.6
171.08109	0.6
175.03876	0.5
177.05429	0.8
179.06989	3.5
181.04967	0.6
187.06207	0.7
188.07037	0.6
189.05440	2.1
190.08633	0.7
200.04689	0.9
203.06876	0.7
207.06499	7.4
207.08374	0.5
215.06964	2.1
217.04961	0.5
221.04480	0.6
227.07175	0.6
231.06502	1.9
234.82932	0.4
245.08121	1.8
246.11246	1.8
249.07523	1.4
273.07553	2.9
273.18497	0.5
291.08582	15.1
291.12271	0.8
291.15683	4.2
291.19489	1.2
292.09070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68123	2.3
51.15925	1.9
55.01849	3.8
56.05029	3.4
56.96558	100.0
57.03419	2.4
58.58704	2.3
67.05469	3.2
69.03409	8.0
70.06596	12.0
70.08130	7.3
71.95258	4.7
73.02906	2.9
74.06077	2.0
74.93166	2.5
74.97588	4.9
79.05479	3.4
81.03409	4.8
82.06480	2.1
83.06117	2.1
84.04476	6.1
84.08120	8.2
84.96013	20.9
85.02908	11.2
86.09685	7.6
87.04462	2.0
87.10029	2.7
87.19569	1.9
91.05444	3.8
95.04955	3.0
96.04436	2.6
97.02879	12.7
98.96937	4.9
98.97572	77.0
102.05566	2.5
102.97035	4.5
107.04913	3.9
110.07148	4.0
110.97551	6.0
111.04449	2.3
112.99061	2.1
114.05465	2.8
116.07078	2.9
116.97836	3.7
116.98611	66.3
117.01199	2.0
119.00202	2.5
119.01954	3.0
119.04919	4.7
120.08081	2.9
121.01640	2.3
121.42106	2.0
123.04417	30.2
124.99110	5.5
127.03905	3.9
128.97783	2.0
128.98578	12.0
129.05466	8.0
131.00128	4.0
133.01717	4.1
134.99635	51.0
136.06177	9.1
137.06000	3.1
139.03889	55.7
142.04941	4.5
143.00151	23.1
144.98140	3.1
145.01663	3.6
146.99646	14.9
147.03337	2.5
147.04349	10.3
149.01184	4.6
153.00690	6.6
158.13705	3.7
158.99632	21.0
161.01216	56.1
161.02644	4.1
161.04793	2.2
161.05972	3.6
162.99126	7.6
163.03882	3.7
165.00726	5.1
165.05476	7.3
170.99632	6.7
172.95303	2.5
175.02704	2.0
177.00693	42.5
179.02335	11.0
181.00189	2.6
185.01105	5.6
186.99110	4.6
187.02675	4.3
189.00670	10.7
189.04279	10.5
190.95319	4.8
193.00171	4.9
195.01686	5.2
200.02275	4.0
203.02194	5.8
205.00151	10.3
205.03668	2.7
208.96468	2.5
213.00688	3.7
218.10339	2.2
219.01743	7.0
223.01224	20.8
223.04684	3.9
231.01619	5.3
237.02715	20.2
241.02353	3.1
247.01230	2.7
248.99040	3.8
249.02815	5.7
267.00177	10.2
267.03894	6.1
268.00626	6.2
273.48401	2.2
285.05121	2.5
286.01227	2.3
290.96945	3.4
291.00586	1.9
291.03995	6.9
291.08267	22.8
291.19202	2.4
308.97971	3.8
309.04874	8.4
309.08539	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	290.2112
Annotation	Dyclonine
Peak:m/z	Relative Intensity
50.15012	0.3
55.01867	0.4
55.05500	2.2
57.03424	0.8
57.07064	0.6
58.04877	0.3
59.04987	0.8
65.03892	0.5
67.05472	1.2
68.99776	0.5
69.07059	5.6
70.06573	0.5
71.11428	0.9
73.06560	2.8
78.82001	0.4
79.05475	1.5
81.03430	0.7
81.07053	2.5
83.08598	0.6
84.04501	6.7
85.02900	1.0
91.05457	1.1
93.07040	1.6
95.04994	0.6
95.08601	2.3
103.03933	1.0
105.07005	1.4
107.04897	0.4
107.08566	1.6
108.78960	0.4
109.02823	0.5
109.10136	1.1
117.07001	0.5
118.06530	16.4
119.07334	0.6
119.08614	0.9
120.08119	0.8
121.10132	0.6
123.04429	2.6
123.08051	0.4
123.11729	0.8
126.05508	1.1
131.08571	0.5
132.08090	5.5
133.08844	2.9
133.09879	0.7
134.09610	1.2
135.04419	0.6
135.08002	0.6
135.11685	0.6
136.04723	0.6
137.28026	0.4
139.03883	3.3
145.10104	0.6
146.09605	4.9
147.02872	0.6
147.04373	1.2
147.07947	0.5
147.10429	0.7
147.11591	0.6
149.13237	1.1
153.01762	0.4
159.11618	0.6
160.11160	0.7
161.05931	0.4
161.09605	0.4
161.13272	0.5
165.05428	0.4
167.81406	0.3
168.06447	0.4
171.11768	0.4
176.14333	78.7
177.14716	2.1
210.09059	0.4
231.13727	0.4
246.14799	0.5
273.25809	0.4
290.21121	100.0
291.08673	0.6
291.15659	0.8
291.21841	3.8
291.26825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01854	0.5
55.05499	1.6
55.47643	0.5
56.05025	2.5
57.03428	2.0
60.04513	1.7
61.02922	4.4
67.77120	0.4
68.05028	0.5
68.99787	4.2
69.03410	2.0
69.07064	0.9
70.06570	1.2
70.78252	0.7
70.78590	0.8
72.04514	0.7
73.02906	3.4
80.04993	0.6
81.03396	2.8
81.07050	0.8
82.07381	0.4
83.08641	0.5
84.04496	100.0
85.02895	15.1
85.03376	0.9
85.04798	0.7
86.89619	0.5
87.00822	7.2
93.07052	1.3
94.07392	0.5
95.08587	0.5
96.04477	1.2
97.02897	2.9
98.06037	2.2
98.20982	0.5
99.04454	1.3
100.03968	0.7
100.11228	0.6
103.03932	17.6
105.01873	2.0
107.08587	0.6
108.04472	2.0
109.02867	3.8
110.06078	0.7
111.04421	0.7
114.05505	0.6
123.04424	1.5
123.11755	0.5
124.12049	0.5
126.05506	23.8
127.03889	2.9
127.05887	0.6
129.01823	5.3
135.04398	0.9
136.04788	0.7
139.03894	1.8
144.06551	1.0
147.02884	4.1
148.11958	0.5
153.01797	0.6
156.06573	1.5
168.06528	7.2
171.02875	1.3
171.78065	0.5
186.07663	2.9
189.03906	5.2
195.02959	0.5
201.05278	0.6
204.08687	2.8
228.08623	1.2
231.04968	0.5
272.07614	3.2
290.08698	12.1
290.11591	0.9
290.25653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1744
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05495	1.7
56.05024	3.2
56.96550	1.1
57.07077	2.7
58.06580	1.5
62.44526	0.4
65.03927	1.7
67.05492	8.3
68.05828	0.5
69.07063	4.3
71.08619	0.9
71.52924	0.7
74.06070	3.0
79.05480	2.1
80.04980	0.4
81.07046	2.3
82.06580	2.3
83.04976	1.0
85.10178	0.9
86.06033	0.4
88.07616	10.2
91.05473	0.9
91.82581	0.4
93.03392	1.5
93.07037	3.8
95.08585	1.7
97.02913	0.4
97.06521	2.0
105.07024	0.7
107.04917	0.4
107.08587	3.8
109.06553	0.7
109.10155	0.7
110.06026	26.9
111.04431	11.0
111.08041	0.6
117.06966	0.7
118.08641	1.8
119.08554	0.7
120.58691	0.4
121.06503	0.5
122.08164	1.2
123.04406	2.8
129.07027	0.6
131.08522	0.6
133.10092	0.7
135.04494	0.5
135.07971	0.8
135.11670	3.7
137.05946	1.7
138.05482	100.0
139.03864	0.8
139.05806	1.6
141.07080	0.4
145.06441	1.3
153.12726	0.7
163.07529	2.6
177.09068	0.9
182.94476	0.4
226.11107	2.0
228.23251	0.9
242.24768	10.9
244.12117	1.3
272.25552	0.7
273.14828	0.8
280.49548	0.5
290.17612	5.2
290.26849	27.6
291.19632	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88911	1.7
53.03930	1.7
55.01850	2.6
55.05486	2.4
56.05024	7.0
56.96560	100.0
57.03424	3.7
60.04512	4.7
60.05631	3.4
61.02916	2.5
69.03413	5.4
69.07054	2.9
69.89796	4.9
69.90208	3.9
70.06588	15.4
72.08153	20.3
72.93792	1.8
73.02904	1.6
73.16953	1.4
74.06071	16.5
74.97598	12.6
81.03388	4.0
84.04505	10.1
84.08141	15.9
84.96043	8.4
85.02883	10.0
86.06080	1.8
86.09699	66.9
86.97581	3.3
87.04442	2.8
88.03974	1.9
91.05478	1.8
92.98592	2.0
95.04979	2.1
97.02888	7.3
98.97577	80.3
100.99139	3.2
101.07130	3.6
102.97028	2.6
104.07098	3.4
104.57747	1.9
110.07125	2.3
110.97572	4.0
112.08691	3.3
114.97005	2.1
116.00234	2.9
116.07120	3.0
116.98609	65.4
119.01889	4.0
120.02023	4.4
123.04430	6.0
124.99149	3.2
127.03925	5.5
128.10687	4.7
128.98611	8.7
129.10219	4.2
132.98073	7.3
133.90443	1.8
134.01280	2.5
134.99643	38.9
135.00662	2.1
135.04379	4.2
136.04724	2.3
137.05974	2.1
138.02931	2.1
139.03914	12.4
140.04230	6.3
140.07098	2.5
143.00128	19.2
143.11777	3.3
144.06540	2.2
144.98079	2.9
145.01711	1.8
146.99692	12.5
147.04346	2.9
149.01082	2.0
150.99133	30.8
153.00711	6.3
156.98087	4.6
157.13353	30.2
158.99670	13.3
159.07733	3.7
161.01196	33.1
161.02673	2.7
162.02983	2.4
162.99156	6.4
163.02696	2.0
163.03928	4.0
165.00702	3.1
168.01787	1.9
169.00220	16.2
170.99567	2.2
173.12862	16.4
174.00764	3.6
174.99130	29.4
175.11853	2.1
177.00687	25.6
177.08705	3.5
177.53046	1.6
178.03857	2.5
179.02209	4.0
185.12811	10.5
187.02699	2.4
187.04362	2.3
187.14369	5.4
188.04411	2.4
189.00690	5.3
190.95297	2.1
190.98589	2.8
191.02281	2.2
191.03934	2.0
192.01692	2.3
193.00188	50.7
201.00670	2.4
201.12344	3.7
203.02124	4.3
205.00174	4.7
206.98131	7.6
208.01248	2.9
208.96536	2.0
208.99635	3.6
211.01186	7.3
215.13841	2.4
219.01701	2.4
220.51123	1.8
220.99582	4.2
223.01329	4.9
224.99107	5.2
230.98073	2.9
237.02843	4.6
239.00699	4.1
247.01260	5.3
248.99161	22.0
249.02736	2.9
250.97430	2.9
265.02222	2.2
267.00211	79.2
272.00742	4.8
272.16086	2.7
273.03040	2.1
285.01260	38.4
285.04260	2.9
290.01807	6.8
290.14584	3.7
290.18121	3.9
290.21075	1.9
291.03818	3.3
308.98276	1.8
309.04922	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.59937	1.2
53.03934	3.6
53.67414	1.4
55.05505	16.0
58.46931	1.6
59.04972	2.0
65.03927	1.9
67.05186	1.6
67.05499	20.3
69.07059	14.5
70.36324	1.6
70.61231	1.4
71.27219	2.2
73.06509	1.9
73.17595	1.4
75.04840	1.3
79.05484	18.9
81.03407	1.8
81.06606	1.6
81.07052	24.3
83.08617	8.1
85.06520	5.5
91.05470	47.3
93.07034	21.2
95.04945	3.7
95.08597	19.2
103.05444	3.3
105.07020	71.4
107.08588	14.5
109.06484	1.8
109.10121	7.5
111.04415	2.1
111.08067	1.7
117.07008	15.7
119.08569	56.7
121.06508	1.5
121.10102	8.0
123.04419	4.5
123.11659	2.3
127.03908	2.9
128.06174	2.2
129.06976	5.0
131.08539	22.7
133.03468	1.7
133.06517	2.3
133.10115	42.3
135.04388	9.6
135.08089	2.2
135.11667	4.9
139.03871	2.4
141.06976	2.9
143.08553	6.8
145.10103	21.7
147.07959	1.4
147.11653	26.2
149.09541	2.5
149.13155	3.1
155.08496	2.9
157.10132	9.3
159.08043	1.7
159.11676	20.4
161.03065	1.7
161.13235	13.3
163.03937	1.3
169.10088	4.6
171.11641	4.8
173.13280	11.7
175.11198	2.1
175.14847	1.8
183.11623	9.6
185.13225	1.9
187.11160	3.1
187.14786	2.9
193.12128	1.4
197.13257	3.4
201.12784	2.8
211.14853	2.4
213.16382	2.5
215.17842	3.3
229.12254	2.8
229.19550	1.6
239.17892	6.4
243.17374	1.8
257.18979	12.3
271.20743	1.6
289.06961	2.6
289.18362	3.7
289.21588	100.0
289.24850	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	289.2158
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03922	3.7
54.60176	1.4
55.01860	2.9
55.05502	16.3
59.04971	1.5
62.00275	1.4
67.05500	20.7
69.07065	15.4
71.52571	1.5
79.05487	16.5
81.07046	24.3
83.08592	5.9
85.06509	4.1
87.08064	1.5
91.04898	2.5
91.05470	49.4
93.07029	17.1
93.72438	1.4
95.04964	3.0
95.08601	21.7
97.06508	2.0
97.10139	3.6
103.05456	2.9
105.07016	63.0
106.70449	1.3
107.04952	2.2
107.08574	13.1
109.06523	2.9
109.10134	8.5
111.04439	3.1
111.08035	1.5
115.05447	2.1
117.06998	14.6
119.08564	56.7
121.06493	2.1
121.10115	9.6
123.04404	4.5
123.08128	1.6
123.11697	1.7
127.03867	5.3
129.06998	3.8
131.08530	19.5
133.10110	37.8
135.04434	8.3
135.11694	5.2
139.03888	3.6
141.06897	1.5
142.07837	2.8
143.08601	3.5
145.10100	21.8
147.07993	1.7
147.11674	28.8
149.09593	3.5
149.13263	1.6
151.03908	1.7
155.08569	2.4
157.10097	7.2
159.11673	14.8
161.13239	11.2
163.11194	1.6
164.60573	1.4
168.09248	2.1
169.10089	4.0
171.11661	5.3
173.13240	10.9
175.11169	2.6
175.14742	2.3
183.11702	8.7
185.13139	1.7
187.11278	2.4
187.14766	2.5
197.13295	2.4
201.12703	4.3
211.11113	1.7
215.17967	3.8
219.13750	2.7
229.12177	4.3
229.15761	1.7
229.19397	3.9
239.17949	8.5
257.19043	13.9
289.18427	3.6
289.21576	100.0
290.21933	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1544
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03940	0.6
55.01866	0.5
55.05502	1.1
65.03923	1.4
66.87879	0.4
67.05489	1.5
68.99773	0.5
69.07053	1.0
69.81767	1.2
69.82196	1.3
70.99181	0.4
71.04980	0.5
73.07112	0.4
73.07505	0.5
79.05482	2.3
80.04996	0.6
81.03386	0.9
81.05788	0.9
81.07047	2.5
83.04955	0.6
83.08604	0.6
84.08157	0.4
89.03901	1.3
91.05466	5.8
93.03384	0.8
93.07033	2.2
94.06535	1.0
95.04945	1.7
95.08585	1.3
96.08113	2.5
97.06525	0.7
103.05504	0.5
104.04968	0.8
105.07015	1.7
106.06502	2.3
107.04934	1.7
107.08574	1.2
108.08102	1.1
109.06515	0.9
109.10134	0.8
110.07895	0.4
111.04430	3.9
116.04975	0.7
117.05726	1.4
117.07004	0.9
118.06521	5.6
119.07307	0.5
119.08578	1.2
120.08095	13.3
121.02893	0.4
121.06472	1.2
121.10120	1.3
122.09663	0.9
123.04427	7.3
124.07575	10.3
126.05475	0.5
126.09120	1.4
127.03920	3.3
129.07005	0.5
131.04909	0.7
131.08553	1.2
132.05750	0.4
133.06467	0.6
133.10127	0.7
134.05981	5.4
135.04402	16.6
135.08006	0.5
135.11575	0.5
136.04756	0.6
136.07558	6.8
137.05905	0.4
138.05484	2.2
138.09171	0.6
139.03888	6.5
143.08540	1.0
145.06441	0.5
145.10075	1.4
146.05968	4.7
146.07056	0.7
147.04428	0.5
147.06755	2.1
147.07936	0.8
147.11644	0.6
148.07565	11.9
149.02325	0.9
150.09097	0.9
151.03868	3.0
152.07053	1.3
153.01823	1.8
157.10147	1.0
159.04366	0.6
159.08037	1.0
161.05960	0.4
161.09650	0.5
163.03899	3.5
164.07048	100.0
165.07344	2.4
166.08607	2.5
171.11557	0.6
173.09496	0.7
183.11682	1.1
200.10605	0.6
201.05585	0.4
201.12631	0.5
213.05492	0.7
214.11021	1.1
215.07002	0.7
215.15454	1.7
216.10143	2.9
218.11803	0.6
220.40814	0.5
226.12343	0.6
228.10213	0.5
229.08476	0.5
229.12219	0.5
229.13327	0.5
231.06448	0.6
243.06508	0.5
243.14925	4.0
245.16516	2.1
253.13362	1.6
254.11784	0.6
259.06015	1.0
261.07556	1.2
271.06036	0.7
271.14374	20.5
271.16821	1.0
271.24045	0.5
272.14761	0.8
289.06439	6.1
289.15424	69.8
290.15674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
55.01860	0.8
65.03936	5.7
67.01837	0.7
67.05482	1.6
68.99799	3.4
69.78028	1.1
69.78436	3.5
70.06587	0.7
72.08141	2.3
73.51862	0.6
79.05483	2.0
81.03402	1.8
81.07034	0.7
85.02937	0.6
86.09682	2.1
87.09958	0.8
89.03896	3.5
91.51704	0.7
93.03403	6.4
95.04960	2.8
95.61809	0.6
103.05479	1.8
107.04951	7.0
109.02888	1.7
111.00773	1.4
111.04433	23.8
117.03372	4.1
119.04911	0.7
121.02852	1.3
123.04416	46.8
124.04737	0.7
127.03904	46.0
128.44069	0.6
129.10228	1.5
130.06514	0.7
131.04915	3.5
131.08549	0.8
135.04401	100.0
136.04727	1.0
137.02319	3.8
139.03882	36.4
141.06952	1.3
149.02336	6.7
149.05978	3.7
150.03123	0.7
151.03886	16.9
153.01831	1.3
157.06471	0.9
159.04405	2.8
161.05930	2.0
163.03885	26.9
167.03436	1.1
169.06427	1.8
173.05934	2.3
175.07518	1.0
177.05429	3.1
179.03398	2.8
183.04309	0.9
185.05997	1.2
187.03868	3.1
188.06950	0.7
191.50047	0.6
197.05971	2.3
201.05473	2.6
203.07025	1.1
205.04887	1.8
213.05476	2.1
215.07025	2.7
219.06604	0.7
225.05403	1.1
227.03326	0.6
229.04912	1.8
229.12196	0.8
231.06502	4.6
241.04869	1.4
243.06543	3.8
247.06001	1.1
259.06021	6.0
261.07550	7.0
271.05969	10.7
289.07068	19.8
289.10666	2.0
292.54492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
52.61517	1.1
53.83092	1.3
55.01873	1.4
55.42520	1.0
62.72046	0.9
65.03928	7.7
67.01873	1.2
67.05504	1.8
68.99786	5.5
71.86576	1.2
77.45383	1.4
79.05479	1.9
81.03380	1.4
83.12370	1.2
87.46039	1.1
89.03909	3.8
91.05481	2.9
93.03403	8.6
95.04960	3.6
103.05468	1.8
107.04959	15.1
109.02849	1.7
111.04430	27.4
117.03373	3.3
119.04909	1.8
121.02859	4.4
123.04420	41.8
127.03912	26.3
131.04906	4.0
135.04404	100.0
135.55457	1.1
137.02338	2.3
139.03886	36.0
141.07008	2.8
147.04417	2.5
149.02321	35.8
149.05978	2.5
151.03882	17.9
153.01817	15.0
157.79245	1.2
159.04448	4.2
163.03894	22.5
167.03439	1.8
169.06461	4.9
173.06007	2.7
177.05516	2.1
179.03450	1.9
185.06050	1.3
187.03860	1.7
195.03160	1.1
195.04999	1.3
197.05975	6.0
201.05496	1.8
203.06953	1.3
205.04964	1.8
215.06998	40.4
225.05424	2.2
229.05051	1.3
231.06404	3.8
243.06511	50.9
259.06009	5.2
261.07602	6.1
271.05984	24.5
289.06970	16.0
289.10666	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	289.0704
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02352	0.6
53.03923	0.9
54.58009	0.5
55.01870	0.9
58.40825	0.5
65.03937	6.2
67.01862	0.8
67.05486	1.6
68.99792	4.1
69.03397	0.5
70.12154	2.6
79.05481	1.8
81.03405	2.1
81.07042	0.9
83.04971	1.3
86.09684	0.6
89.03902	3.8
91.05463	1.1
93.03387	6.0
95.04945	2.1
95.08570	0.7
103.05441	1.4
105.04400	0.7
107.04935	6.5
109.02880	1.2
109.10040	0.6
111.00794	0.7
111.04436	24.3
117.03374	4.8
120.07957	0.6
121.02847	1.5
123.04416	44.2
127.03907	37.8
129.06952	0.6
131.04924	4.4
131.08549	0.6
133.94957	0.5
135.04401	100.0
136.04814	0.9
137.02354	3.7
139.03891	34.8
141.06946	1.2
145.02829	1.4
149.02322	7.1
149.05963	2.3
150.03152	1.4
151.02756	1.1
151.03902	17.1
151.05118	0.8
153.01816	8.2
155.04948	0.7
157.06433	1.2
159.04407	2.1
161.05917	1.5
163.03891	27.7
171.02884	1.4
173.05984	1.2
175.07597	1.0
177.05443	2.1
179.03410	2.7
183.11703	0.7
185.05933	1.1
187.03828	3.0
187.07529	0.9
197.05980	2.4
201.05505	2.7
203.07062	1.0
205.04922	1.3
213.05457	2.2
215.07048	2.4
225.05426	1.6
229.04942	1.0
229.12320	0.7
231.06453	4.7
241.05014	0.9
243.06462	3.1
247.05937	0.9
259.05988	6.2
261.07544	7.2
271.06009	8.7
289.06723	20.5
289.10773	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.1
55.01863	0.1
63.02373	0.1
67.01859	1.8
68.99781	1.7
70.65222	0.2
70.65593	0.1
79.05491	0.4
81.03411	0.3
89.03899	1.0
92.17072	0.1
97.02903	0.2
107.04945	0.5
108.10706	0.1
109.02840	0.1
111.00798	0.3
111.04439	0.3
115.05415	0.2
117.03370	1.0
119.01318	0.1
121.02869	0.2
125.02315	0.1
127.03858	0.1
129.01810	0.4
129.06999	0.2
131.05000	0.1
135.00720	0.1
135.04396	5.1
135.08064	0.1
136.04704	0.2
137.02330	1.5
137.03313	0.1
137.05952	0.1
139.05415	0.2
141.01401	0.1
141.36008	0.1
145.06459	0.1
147.04337	0.3
149.05925	0.1
153.01813	12.9
154.02173	0.2
157.06468	0.3
161.00999	0.1
161.02321	1.5
163.07513	0.1
165.01823	0.1
167.04851	0.1
167.08545	0.2
171.02879	1.3
171.04408	0.2
173.05902	0.1
175.04086	0.1
179.03410	0.7
185.05949	0.5
189.05328	0.1
195.08008	0.1
199.03879	0.2
199.39595	0.1
203.03407	0.2
213.05441	0.8
217.04898	0.1
218.05798	0.1
219.06476	0.2
223.03992	0.1
227.10564	0.2
231.06548	0.3
241.04919	1.7
241.52077	0.1
245.04469	0.3
255.10063	0.2
258.05203	0.2
259.05981	0.3
263.05594	0.1
269.04410	1.0
269.12622	0.1
270.04947	0.1
287.05460	100.0
288.05811	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01852	1.4
68.99768	1.4
70.97061	0.7
79.05479	0.3
89.03902	0.6
94.54569	0.3
97.45214	0.3
107.04958	0.3
117.03355	0.7
129.01891	0.5
135.04390	4.4
137.02332	1.1
139.05487	0.4
146.98315	0.2
153.01816	12.4
161.02310	1.5
171.02876	1.3
179.03407	0.7
185.06026	0.4
203.03397	0.4
213.05502	0.8
241.04930	1.5
269.04303	0.7
287.05478	100.0
288.05771	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0536
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.52772	0.1
67.01537	0.2
67.01859	1.9
68.99780	1.6
70.21180	0.3
70.21600	0.4
78.27258	0.1
79.05463	0.3
89.03886	0.9
107.01306	0.1
107.04936	0.4
111.00813	0.2
111.04440	0.2
115.05448	0.2
117.03372	1.1
120.99533	0.2
124.93240	0.1
125.02261	0.1
129.01831	0.3
135.04402	5.0
135.05432	0.3
136.04689	0.2
137.02324	1.6
137.03296	0.2
153.01807	12.9
154.02080	0.3
157.06470	0.2
161.02322	1.2
171.02864	1.2
171.04266	0.3
179.03365	0.5
185.05942	0.3
189.05399	0.2
213.05424	0.5
217.05046	0.2
231.06396	0.2
241.04935	1.8
245.04395	0.2
258.05072	0.2
259.06088	0.3
263.05225	0.2
265.61276	0.1
269.04382	0.9
279.57303	0.2
287.05457	100.0
288.05798	3.6
288.08838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2028
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.05497	2.0
56.05009	1.4
56.96559	33.4
57.03413	2.7
60.05370	1.5
60.05645	20.8
61.02901	3.6
62.63626	1.0
65.22498	1.0
68.14795	1.0
69.03417	5.5
69.07059	3.0
70.06586	84.9
70.34460	3.5
70.98120	1.3
71.04990	2.1
72.08154	15.0
73.02895	3.2
74.06059	2.3
81.03392	2.0
83.04982	1.0
83.98134	1.0
84.04487	2.3
84.08146	7.5
84.96011	1.8
85.02902	9.0
86.09699	46.4
87.04466	1.4
95.34138	1.0
97.02856	4.5
97.07629	2.0
98.06033	3.1
98.97569	10.1
99.04408	1.9
99.41149	1.0
101.00858	7.8
106.02910	1.2
107.04932	2.4
109.02847	1.7
110.07114	2.3
110.97554	6.4
111.04442	1.4
112.08723	9.3
112.99126	2.1
114.10282	2.4
115.02409	3.9
115.08674	4.6
116.07084	17.9
116.98607	8.2
119.01060	1.6
119.01908	28.5
122.47980	0.9
123.04459	2.0
126.05550	1.4
126.15052	1.0
127.03876	4.5
127.08649	1.1
128.98586	9.2
129.03934	1.1
129.10245	2.0
130.08749	1.9
130.09738	5.2
130.93257	2.8
131.00145	2.4
131.01921	3.3
131.99632	1.2
133.03476	9.2
134.01242	1.6
134.99605	3.4
135.04381	4.6
136.06201	5.0
137.02957	7.2
139.03918	5.2
142.03384	1.1
143.01950	1.9
144.99794	1.2
145.03513	1.4
145.04889	1.4
145.09689	1.1
146.99615	7.1
147.05011	2.5
148.94310	1.3
149.01190	1.8
149.02922	1.7
156.11328	6.2
156.98035	2.8
157.03497	1.4
157.10794	2.5
158.09238	10.9
158.99654	2.5
160.06433	2.0
161.01608	1.5
161.02934	13.5
163.03947	3.3
165.00706	2.4
168.99823	1.5
171.01422	2.1
172.10800	3.0
172.94374	1.6
173.02969	2.9
174.00764	3.0
174.97731	1.4
174.99150	17.8
175.00708	1.7
175.02626	1.3
175.11890	40.8
177.00703	2.6
177.02361	1.6
178.04907	8.9
179.02374	1.4
183.14871	1.4
185.10356	1.3
186.12299	1.5
187.00835	4.5
187.04434	1.3
188.05989	2.8
188.97052	1.7
189.00792	1.8
189.02403	3.8
190.95348	5.0
191.03979	4.0
192.01729	1.5
193.00186	26.5
199.00885	2.0
201.02368	1.4
205.01826	2.0
206.06998	3.0
207.03511	1.7
207.05313	1.8
208.96530	2.0
211.01221	4.5
211.52271	1.3
215.00328	6.7
217.01956	8.9
219.01576	1.4
219.03447	4.0
224.08075	4.6
228.17000	1.7
229.01842	1.4
229.15506	6.7
232.96478	2.1
247.03018	3.6
248.08035	1.2
253.16515	1.8
261.02832	1.8
265.03979	2.0
270.06488	1.9
270.19153	1.5
271.17603	11.8
288.07596	11.8
288.20267	100.0
289.06982	2.2
289.20599	2.9
306.08566	4.7
307.04874	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.054
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03934	0.1
55.53564	0.1
55.69774	0.1
67.01858	1.9
68.99777	2.0
70.06576	0.3
70.57121	0.2
71.51871	0.3
79.05477	0.4
81.03387	0.3
84.08092	0.2
85.06525	0.2
89.03891	0.6
107.04975	0.2
109.02857	0.2
111.00792	0.4
111.04421	0.4
117.03357	0.9
125.02338	0.2
127.03857	0.2
128.06224	0.1
129.01831	0.5
135.04408	4.1
135.05423	0.3
137.02341	1.6
139.05351	0.2
146.22871	0.1
147.04350	0.4
149.02367	0.2
153.01813	11.6
154.02190	0.2
157.06433	0.2
157.90602	0.1
161.00989	0.2
161.02327	2.5
171.02879	2.2
171.04294	0.2
175.03947	0.4
177.05396	0.3
179.03366	0.9
185.05885	0.4
189.05447	0.2
193.04979	0.5
201.05490	0.3
203.03348	0.7
205.61481	0.1
213.05437	0.7
217.05075	0.3
219.06555	0.5
231.06592	0.3
241.04939	2.0
241.09587	0.2
245.04332	0.7
259.06049	0.4
269.04388	1.0
287.05466	100.0
288.05792	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	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
56.05029	0.9
56.96554	1.9
57.03420	1.3
59.04990	2.1
61.02925	4.4
64.14318	0.5
64.34031	0.5
68.05009	1.4
69.03421	0.8
69.55952	4.0
70.06585	4.3
71.04988	5.4
72.08137	1.3
74.55783	0.6
79.05486	2.3
81.04542	0.9
81.07049	10.5
82.05322	1.8
83.05638	0.9
83.06097	10.7
84.08150	0.6
86.09658	0.6
87.08105	1.2
93.04523	7.0
95.06081	15.1
98.97566	1.9
107.06054	1.7
109.59562	0.6
110.07153	100.0
111.05556	2.1
111.07505	0.8
112.07581	2.0
112.08717	2.3
116.07093	0.9
116.98619	1.1
119.06033	0.8
121.03962	0.8
121.07603	2.7
124.03934	2.5
126.07681	0.7
136.06120	0.6
137.04532	0.7
138.06671	0.7
140.06989	0.9
154.07222	1.1
156.07671	13.1
163.12288	55.6
164.12631	0.6
166.06123	1.9
186.04329	0.7
187.04376	0.6
190.13379	8.8
204.05272	1.4
208.14436	11.4
210.16151	0.8
212.15218	0.6
219.11179	2.0
236.13895	7.9
240.17035	8.4
241.15337	0.8
254.14986	22.4
268.16330	0.7
286.17575	68.3
287.17828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.01379	0.2
53.03913	0.4
58.52035	0.2
67.01838	0.8
68.99494	0.2
68.99792	2.4
69.03406	0.2
70.97048	0.6
70.97408	0.3
79.05473	0.6
81.03401	0.2
89.03892	1.3
95.01302	0.3
97.02901	0.3
102.70873	0.3
103.05447	0.3
105.03374	2.3
107.04929	1.0
109.02881	0.3
111.00770	0.7
115.05441	0.5
117.03371	0.6
117.06997	0.3
121.02861	0.6
123.00787	0.3
123.04404	0.4
128.06131	0.3
129.06956	0.8
131.04915	0.5
135.04420	2.3
135.08047	0.4
137.02312	0.9
139.05304	0.3
141.06956	0.4
143.04871	0.2
145.06468	0.7
147.04358	0.6
149.02330	3.9
151.03911	0.3
153.01820	24.3
157.02888	0.4
157.06499	2.0
160.05209	0.3
161.02335	2.6
161.05984	0.7
163.03864	0.4
165.01834	0.6
169.06491	0.7
171.02904	0.6
171.04349	0.4
175.03873	1.0
175.07541	0.6
185.05975	1.9
189.05470	0.8
191.03365	0.8
197.06024	0.9
199.03889	0.7
203.03392	0.7
203.07030	1.7
213.05447	4.7
216.04163	0.8
217.04932	1.5
229.04968	0.3
231.06503	7.2
240.04295	0.3
241.04941	12.0
242.05251	0.5
259.06000	1.9
263.77975	0.3
269.04446	3.9
287.05478	100.0
288.05835	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03937	0.3
55.01870	0.2
65.03908	0.4
67.01854	0.5
67.05476	0.2
68.99790	1.9
69.03403	0.3
69.07060	0.3
70.71633	0.5
72.08146	0.2
74.70255	0.2
79.05476	0.7
81.03394	0.4
81.07023	0.5
86.09669	0.3
89.03902	0.2
91.05478	0.3
93.07024	0.4
95.04946	0.5
95.08591	0.2
103.05486	0.2
105.03379	1.0
105.07012	0.5
107.04950	1.7
107.08604	0.3
109.02863	1.0
109.06480	0.3
109.10155	0.2
111.00793	1.0
111.04373	0.3
115.05401	0.3
119.08562	0.4
121.02858	5.4
121.03863	0.3
121.10135	0.3
123.04395	0.2
127.03932	0.4
127.92901	0.2
129.06982	0.8
133.02850	0.5
134.03474	0.2
135.04384	0.7
135.08011	0.2
137.02321	2.0
141.06979	0.2
145.06490	0.6
145.10063	0.2
147.04413	1.4
149.02350	0.5
153.01816	11.5
154.02151	0.2
157.06468	1.2
159.11626	0.2
161.02373	0.4
161.05928	0.6
163.03740	0.2
165.01816	2.6
171.02948	0.3
171.04419	0.6
175.03891	0.2
175.07578	0.4
181.06433	0.2
183.02896	1.6
185.05966	1.1
189.05453	0.2
197.05954	0.4
203.03363	0.3
203.07011	0.5
213.05450	3.4
216.04105	0.3
217.05064	0.3
227.07162	0.2
229.04985	0.5
231.06485	1.9
241.04950	2.2
257.04498	0.2
258.05234	2.0
259.05969	1.2
269.04410	0.6
287.05475	100.0
288.05777	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01868	4.7
55.05513	21.0
57.03437	27.9
57.07073	3.9
59.04995	2.2
63.00037	2.1
67.05501	45.5
68.99812	2.6
69.03416	10.1
69.07070	18.1
69.84180	3.7
69.84595	8.1
70.06591	3.1
71.05000	10.7
79.05489	32.2
81.03415	100.0
81.07051	70.3
81.07533	4.2
83.04970	10.2
83.08614	29.9
85.02898	31.6
85.06542	7.3
87.04450	4.0
91.05470	35.8
93.07040	27.7
93.34983	1.8
95.04955	33.9
95.08597	33.2
97.02875	2.8
97.06520	8.5
97.10192	4.4
99.04472	2.7
99.08076	4.8
101.06024	2.3
103.05470	3.0
105.07017	33.4
107.04962	10.8
107.08592	16.4
109.06530	5.5
109.10141	17.7
111.04423	3.7
111.08061	14.8
113.05985	4.0
115.03867	4.2
117.07006	3.6
119.04929	7.2
119.08572	25.8
121.02856	4.7
121.06545	3.8
121.10143	19.7
123.08062	4.6
123.11696	13.8
125.09600	3.1
127.07487	2.2
128.06194	2.2
129.06999	13.9
131.04922	3.5
131.08559	12.5
133.06488	3.9
133.10136	17.5
134.52164	2.2
135.08084	2.5
135.11713	3.2
137.02377	2.9
138.78497	2.1
139.11148	2.2
142.07806	4.3
145.10144	4.4
147.08072	4.3
147.11679	33.9
149.09645	5.2
149.13228	2.0
156.52878	2.0
157.10120	15.0
161.06015	4.1
161.13182	2.4
165.01859	4.6
165.07048	6.5
165.12724	12.1
167.03444	10.0
168.08174	3.4
173.13229	2.4
175.11177	19.9
177.16281	2.2
178.04982	4.7
181.04944	8.0
183.02898	4.6
193.06602	3.5
193.12241	66.8
197.05867	2.0
203.17911	5.4
207.13933	2.0
210.06789	4.9
211.03825	2.3
211.13268	31.2
212.14365	3.0
215.03340	5.3
221.05946	4.4
222.96857	2.6
225.09143	5.6
229.04945	6.0
229.14270	3.2
239.20045	4.7
253.08629	14.2
257.04468	8.5
267.08691	2.8
267.11307	4.5
267.15927	7.8
267.19342	2.4
270.05057	4.6
276.30664	2.1
285.03946	66.6
285.07565	92.6
285.11346	7.3
285.16846	26.9
285.21835	3.2
285.30042	2.2
286.04446	3.7
286.07864	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35819	2.3
53.03937	6.3
54.81010	2.4
55.01854	2.7
55.05510	24.9
56.96562	3.7
57.03197	3.2
57.03437	41.4
63.00012	3.3
67.05499	35.6
69.03413	5.1
69.07059	15.5
71.04990	13.2
71.52369	3.9
79.05489	31.4
81.03411	100.0
81.07047	57.4
83.04968	14.4
83.08612	33.5
85.02899	67.3
91.05464	44.1
93.07030	25.9
95.04954	39.0
95.08588	19.3
97.02857	5.2
97.06518	8.2
97.10141	4.7
98.98450	4.1
99.08108	3.0
105.07016	36.8
107.04945	6.7
107.08576	12.9
109.02785	2.6
109.06498	10.6
109.10188	4.7
111.04421	3.9
111.08077	17.2
112.48896	2.3
113.05972	4.9
117.07008	3.2
119.08572	28.3
121.10123	21.5
122.33701	2.5
123.08032	3.8
123.11694	8.7
129.07010	13.0
131.08594	13.7
133.06480	4.9
133.10114	10.3
142.07759	3.6
145.10120	3.0
147.08025	4.5
147.11671	37.3
149.09569	9.9
157.10101	21.0
161.05960	7.2
165.06984	10.0
165.12778	12.0
175.11209	25.4
181.04895	6.4
181.06314	3.2
181.69644	2.5
193.06462	5.0
193.10442	5.6
193.12222	92.8
210.06645	5.6
211.07559	2.6
211.13261	69.3
221.05972	7.4
222.96849	2.8
225.09041	11.8
229.14346	5.7
239.17871	3.2
253.08607	28.5
257.04242	3.4
265.00250	2.9
267.15704	7.5
280.02350	4.1
285.03918	13.4
285.07553	14.7
285.11191	21.7
285.16766	59.6
285.21588	4.1
293.05341	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01860	2.4
55.05503	7.3
57.03430	7.9
57.07073	1.2
63.00039	5.4
65.03939	1.2
67.05499	13.7
69.03418	2.5
69.07062	4.1
71.04983	3.1
71.53032	0.8
79.05067	1.2
79.05488	12.7
81.03410	100.0
81.07047	14.3
83.04970	5.3
83.08611	19.9
85.02908	7.1
85.06507	0.8
91.05470	16.7
93.07033	8.3
95.04962	26.8
95.08604	5.2
97.02890	3.1
97.06531	1.9
97.10155	1.0
98.98462	3.8
98.99076	0.7
103.05485	1.2
105.07027	12.3
107.04952	6.5
107.08572	3.9
109.06510	3.7
109.10162	1.6
111.04427	1.0
111.08083	9.0
111.16146	0.8
115.05440	1.2
117.07002	1.7
119.08573	12.2
119.09377	1.2
119.62974	0.7
121.06522	2.0
121.10125	6.1
123.08061	1.0
123.11690	1.4
124.99978	0.8
128.06180	0.9
129.06998	9.9
130.61063	0.9
131.04965	1.3
131.08562	7.4
133.06502	3.1
133.10106	4.1
137.09613	1.4
142.07800	2.8
145.10101	1.6
147.04375	0.7
147.08061	2.5
147.11685	7.7
149.09634	4.0
155.08527	1.2
157.10121	8.9
160.97693	0.9
161.05991	2.1
165.01828	1.1
165.06900	1.5
165.12802	2.2
165.35304	0.7
167.03415	1.2
171.11713	0.7
175.11174	12.1
181.04982	2.1
183.02940	1.5
183.24121	0.7
187.03882	0.7
193.06491	1.5
193.12230	41.2
194.12546	0.9
210.06813	1.4
211.13235	7.5
221.05981	2.0
222.96863	1.3
225.09142	2.1
229.04999	1.4
229.08597	1.5
238.06458	1.1
253.08572	5.8
267.15802	8.7
270.05212	1.5
281.09210	0.8
285.03979	14.0
285.07596	12.0
285.11200	3.6
285.16876	5.3
285.21954	1.4
285.25330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
53.03924	0.3
55.01866	5.3
55.05492	0.4
57.03426	0.5
57.07054	0.4
58.52677	0.3
59.04987	1.2
59.38873	0.2
63.58847	0.3
65.03933	0.6
67.01861	0.4
67.05486	1.3
68.99775	3.5
69.03405	1.4
69.07055	0.5
79.01839	1.9
79.05495	0.9
81.03414	3.7
81.07035	1.5
83.04982	0.4
83.08614	0.3
91.05456	1.2
92.99760	2.2
93.07030	0.9
95.04955	0.8
95.08594	1.2
97.02883	1.7
97.06524	0.3
98.20738	0.6
99.00809	2.1
100.86681	0.3
105.07021	1.2
107.04947	2.2
107.08611	0.5
109.02840	0.9
109.06487	0.3
109.10168	0.3
115.16894	0.2
115.24819	0.2
117.01811	0.4
119.08598	0.4
121.02860	0.4
121.06498	2.9
121.10117	0.4
123.00774	0.3
129.07098	0.3
131.08582	0.6
133.10086	0.9
135.04494	0.3
137.02330	3.6
139.16130	0.2
141.00749	0.5
141.01813	8.6
147.00847	0.4
147.11719	0.3
155.03360	1.0
159.11691	0.3
161.05975	0.5
162.42706	0.3
163.03749	0.3
165.01817	73.3
166.02165	1.0
175.11208	0.3
175.14867	0.3
177.44148	0.3
179.03279	1.4
183.02869	100.0
184.03227	1.3
191.03358	4.1
193.06430	0.4
193.12198	0.6
203.70821	0.3
206.04414	0.4
210.06743	0.4
211.13307	0.4
221.05968	0.8
222.92711	0.3
225.09064	0.7
226.00539	0.2
243.06483	0.9
253.08487	1.8
269.17328	0.3
284.29404	0.7
285.04025	1.5
285.07526	18.5
285.10980	1.0
285.16412	0.5
285.21887	0.8
285.29788	0.5
286.07928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
53.03922	0.2
55.01852	0.2
55.05487	0.3
56.96545	0.4
57.03413	0.6
60.06386	0.2
63.00008	0.3
65.03940	0.2
67.01842	0.8
67.05499	1.2
68.99790	0.4
69.07056	0.4
70.17776	0.2
70.92055	0.5
75.39985	0.2
76.95267	0.2
79.05479	0.9
81.03407	1.2
81.07046	1.5
83.01317	0.5
83.04950	0.4
83.08604	0.4
85.02887	0.8
91.05460	1.9
93.07016	0.7
95.04940	0.5
95.08578	0.7
97.02875	0.3
97.06489	0.3
98.98457	0.3
105.06985	1.0
107.04927	0.4
107.08561	0.6
109.10178	0.3
118.84613	0.2
119.04932	3.8
119.08549	0.9
121.02846	2.0
121.10116	0.3
121.13607	0.2
123.08025	0.2
123.11649	0.3
131.04845	0.3
131.08511	0.3
133.10141	0.3
138.24033	0.2
139.03886	0.2
141.01811	0.3
143.08444	0.3
145.02829	1.2
145.06433	0.4
147.11646	0.7
149.02354	0.3
153.07004	0.3
155.19189	0.2
157.10124	0.3
159.08162	0.2
159.11586	0.2
160.14876	0.2
161.05936	0.2
163.03824	0.6
165.01836	1.8
165.06984	0.8
165.12842	0.2
167.03381	8.0
169.06453	0.3
171.11548	0.2
173.09572	0.2
175.11046	0.4
181.04860	0.5
182.07283	0.2
183.02904	1.0
186.59543	0.2
187.03902	0.4
193.06427	0.3
193.12202	0.6
197.05965	0.7
210.06757	0.4
211.04091	0.3
211.07414	0.5
211.13217	0.7
221.06082	0.4
222.96797	0.2
225.09064	0.8
229.04991	0.3
235.87253	0.2
239.02034	0.2
239.06923	0.4
243.06404	0.3
247.05981	0.6
253.08479	2.1
257.03342	0.4
257.08096	0.7
267.06491	0.3
270.05130	0.4
270.08636	0.2
283.05975	3.1
284.06516	0.2
285.07523	100.0
286.07904	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	284.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	12.4
57.03438	2.6
57.07053	2.5
59.04983	2.1
66.33614	2.0
69.03418	6.6
69.07047	2.0
70.06588	37.7
71.01362	4.2
71.51928	1.9
71.52312	2.8
72.08141	4.1
73.02897	4.1
75.64521	1.8
84.04482	3.1
84.08128	1.9
85.02886	7.2
86.09676	3.1
91.05486	2.8
94.01620	2.0
95.06085	3.2
97.02903	3.6
97.06506	2.0
98.97574	3.8
107.04925	2.5
108.04452	2.0
109.02858	2.4
109.05099	3.0
110.03520	3.9
110.07155	6.5
112.04042	1.8
112.07585	17.2
116.07125	2.3
116.98587	3.8
120.08115	2.4
121.02845	2.9
121.06495	7.4
125.04595	3.0
126.05440	2.6
126.07751	3.7
127.03922	2.7
127.06186	6.5
129.10260	2.3
134.99699	3.2
135.03012	3.0
135.06772	4.1
136.06168	100.0
137.04579	8.7
137.71892	1.7
140.07059	3.2
141.10188	4.1
149.06039	2.0
150.07780	1.8
151.06181	2.1
152.05659	82.5
154.07224	7.1
164.05603	2.5
175.06261	4.5
178.07288	2.0
204.10168	24.9
213.12320	3.1
219.01855	2.9
225.16026	2.3
237.02855	2.4
248.12840	3.0
284.09756	18.6
284.16068	5.1
284.29449	10.3
286.00653	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	284.0989
Annotation	38819-10-2
Peak:m/z	Relative Intensity
50.23664	0.2
56.96556	1.5
57.03429	0.3
69.03417	0.4
70.06579	0.6
70.22984	0.6
70.23395	0.4
70.70573	0.2
73.02903	0.2
76.05392	0.2
85.02890	0.6
91.53261	0.2
98.97549	0.5
109.05105	0.6
110.03523	2.5
110.07172	0.5
116.98603	0.6
128.04564	1.2
133.51733	0.2
135.03012	4.7
136.06161	0.4
152.05659	100.0
153.04063	8.0
153.05945	0.4
167.06209	0.2
204.10226	0.3
261.03128	0.6
280.17987	0.2
284.09732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
54.36798	3.1
55.01869	5.7
55.05509	11.1
57.03428	7.6
57.07069	8.0
64.79012	3.1
67.05508	25.1
69.03424	9.7
69.07063	13.2
71.04990	8.0
71.52531	4.8
79.05488	23.1
81.03374	3.9
81.07047	38.6
83.04970	9.8
83.08608	6.8
89.65923	3.4
91.05467	28.4
93.07030	43.2
95.04956	20.1
95.08587	32.3
97.06537	3.9
97.10122	6.0
105.07021	61.2
105.40150	2.9
107.08573	40.7
109.06506	15.9
109.10133	24.0
117.07001	11.5
119.08565	39.5
121.06498	6.5
121.10131	94.4
123.08074	9.0
123.11676	10.1
128.06227	5.6
129.07011	5.6
130.07753	5.0
131.08560	42.9
133.07625	3.5
133.10118	25.8
135.08051	10.0
135.11670	11.6
142.07729	4.6
143.08495	21.9
145.06487	3.9
145.10110	37.8
146.07094	3.4
147.11668	7.6
149.13319	4.1
153.12767	10.0
155.08446	5.5
156.09328	3.6
157.10103	22.8
158.10953	6.8
159.08105	3.6
159.11658	15.8
161.09605	28.1
161.13289	4.1
163.11169	12.8
167.08643	5.2
169.10089	7.4
171.11693	11.6
173.09557	8.0
173.13245	61.8
175.14861	6.8
179.08525	5.3
181.10191	8.9
181.12248	4.9
183.11711	10.1
185.13234	9.8
187.11130	4.7
187.14801	8.6
191.14334	6.3
193.10172	4.7
194.10921	4.9
195.11623	7.1
197.13235	5.8
199.14815	9.3
201.16446	3.9
208.12430	4.6
209.13243	9.7
213.12657	3.7
213.16148	3.2
215.14346	3.6
223.14775	5.1
225.16328	4.9
226.17059	3.8
227.12495	4.9
227.14490	4.9
255.21153	5.2
265.19547	25.6
277.45880	3.3
283.05975	17.0
283.09546	8.4
283.15594	6.4
283.20523	100.0
284.20770	4.3
284.29587	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01857	3.7
55.05269	1.2
55.05508	14.1
57.03204	0.9
57.03432	11.9
57.07059	1.5
65.03929	2.8
67.05500	19.5
69.03406	1.9
69.07056	8.3
70.02545	5.4
70.06561	2.0
71.04970	2.6
73.02908	1.7
77.68432	0.9
79.05482	28.5
81.03395	3.9
81.07047	21.8
83.04973	5.2
83.08608	9.7
85.02907	1.4
86.14375	0.8
91.05468	9.8
93.03383	1.0
93.07030	36.3
95.04961	7.6
95.08598	42.0
97.02895	6.0
97.06532	4.6
97.10155	1.2
99.04491	4.9
105.07022	8.8
107.04946	13.0
107.08585	26.8
107.85640	0.9
109.06509	3.9
109.10133	2.4
111.04443	2.4
112.07529	0.9
117.07013	10.7
119.08569	10.9
121.02850	11.5
121.06474	6.3
121.10143	15.0
125.05946	3.5
128.06186	1.0
128.07077	1.0
130.07741	2.5
131.08563	1.7
133.10112	3.9
135.08047	2.1
135.11678	48.8
139.03918	1.0
139.07512	2.5
145.06445	1.4
145.10101	30.2
146.10468	1.4
151.03870	1.5
159.10048	0.9
161.05974	1.2
163.11166	72.1
173.09579	1.9
181.12201	15.4
193.04979	6.0
209.11612	1.3
211.05974	6.2
221.08250	1.1
227.12756	100.0
228.13083	2.3
237.11188	1.6
265.10822	1.9
268.21298	0.9
278.11810	1.0
283.06064	2.3
283.11826	3.4
283.15317	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	283.2052
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
51.16735	1.8
53.03929	3.5
55.01846	1.9
55.05509	12.2
57.03428	2.8
57.07057	6.6
67.05177	2.7
67.05498	31.1
69.03413	7.1
69.07062	16.6
71.04975	5.5
71.25661	3.4
71.26002	2.0
79.05486	28.4
81.03410	2.9
81.06596	3.0
81.07047	50.1
83.04945	6.4
83.08627	8.5
85.06544	2.4
91.05460	35.2
93.07035	49.9
95.04951	12.5
95.08588	33.7
97.06520	6.5
97.10121	2.4
105.07013	48.6
107.04901	2.1
107.08581	45.2
109.06505	12.1
109.10146	16.9
111.04425	3.3
111.08059	3.4
115.05437	2.4
117.07017	12.9
119.04939	1.7
119.08572	40.8
121.06476	13.9
121.10131	66.6
122.10513	1.7
123.08060	7.6
123.11710	8.5
125.09601	2.1
128.06183	4.9
129.06999	6.3
130.07784	4.9
131.08549	40.2
132.05736	1.8
133.10104	24.1
135.08006	12.7
135.11632	10.0
137.09570	2.2
137.13225	1.7
140.21039	1.8
141.06978	3.4
142.07764	5.4
143.08545	20.2
144.09259	2.5
145.06445	3.8
145.10104	38.7
146.07214	2.4
147.08049	4.3
147.11655	13.3
149.13245	3.8
155.08568	4.9
156.09300	3.6
157.10133	20.7
158.10860	6.7
159.08005	3.7
159.11671	16.2
161.09604	21.8
161.13252	6.6
163.11203	4.3
163.14728	4.6
165.07036	3.8
167.08554	5.2
168.09236	3.4
169.10106	6.5
170.10915	5.5
171.07994	2.8
171.11679	11.1
173.09657	4.8
173.13246	76.6
174.13486	4.2
175.11127	5.3
175.14877	8.9
179.08540	5.6
181.10080	5.5
181.12277	2.3
182.10799	1.6
183.11653	8.1
184.12332	1.9
185.09535	3.9
185.13274	10.2
187.11206	2.1
187.14767	9.8
191.14310	10.9
193.10110	4.5
194.10884	7.8
195.11655	9.9
197.13167	4.5
199.11124	5.0
199.14743	8.8
201.12799	2.7
201.16382	4.0
207.11626	3.0
208.12402	2.9
209.13242	20.0
211.14714	2.2
213.12688	4.9
213.16280	2.8
221.13266	2.1
223.14781	9.5
225.16339	5.1
227.14458	10.2
235.14841	3.7
237.16417	3.2
255.21046	7.5
261.06927	2.0
265.19604	28.5
283.06354	3.6
283.09656	7.3
283.15570	5.0
283.20532	100.0
283.28018	4.1
284.20786	3.9
284.29434	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01866	9.1
55.05269	1.5
55.05505	15.2
57.03431	13.8
57.07082	1.9
61.95810	1.2
65.03928	1.8
67.05496	28.1
67.95679	1.0
68.99774	1.4
69.03411	2.7
69.07062	11.0
69.92542	2.3
69.92962	3.3
70.06576	3.3
71.04977	4.7
79.05482	39.1
81.03413	6.7
81.06589	2.0
81.07045	29.6
83.04967	7.2
83.08616	10.1
85.02888	1.8
85.06543	1.8
91.05466	16.5
93.07030	50.0
95.04953	11.6
95.08593	49.4
97.02879	6.9
97.06525	7.0
97.10151	1.8
99.04440	6.5
103.05453	2.0
105.07017	12.8
107.04939	18.6
107.08574	38.2
109.02869	1.6
109.06495	4.3
109.10130	4.1
111.04440	4.1
111.08077	2.0
112.07595	2.1
113.05999	1.6
115.05440	2.5
116.06276	1.8
117.06999	13.2
119.04899	2.2
119.08572	13.7
121.02867	14.5
121.06478	9.5
121.10144	17.1
123.04483	1.3
125.05999	6.0
125.09612	1.3
125.97325	1.1
127.03928	1.6
127.07568	2.1
129.07001	2.5
130.07745	2.8
131.04918	2.0
131.08543	3.2
133.10135	5.4
135.04416	3.6
135.08029	4.3
135.11668	54.2
137.05942	3.7
139.03833	2.3
139.07533	3.0
141.01855	1.5
143.08508	2.1
145.06485	3.1
145.10100	38.1
147.04349	1.9
149.05992	2.1
149.09625	2.6
151.03900	3.9
153.05482	7.6
153.12660	1.9
154.71683	1.4
155.08492	1.4
159.08067	1.8
161.05991	3.0
163.11160	82.7
164.11490	1.8
165.01813	4.0
165.05457	40.6
165.09036	1.3
166.05949	1.1
167.07077	1.3
169.06493	1.2
173.05954	3.2
173.09610	3.4
173.13191	1.4
177.05489	3.7
177.09123	4.8
179.07014	2.7
179.10603	1.4
181.04915	2.1
181.12207	20.1
183.02870	3.0
186.70284	1.2
189.05455	1.5
189.09138	1.3
191.10666	3.4
192.04245	1.1
193.04977	5.7
201.09071	1.9
205.08577	2.3
207.06549	3.8
207.10144	5.0
209.11734	2.8
211.06026	3.5
215.07051	1.2
219.10114	14.4
225.11119	2.8
227.12738	100.0
228.13074	2.5
237.11169	24.5
247.09616	4.6
255.06604	1.4
265.10687	23.6
265.13705	1.6
265.19342	1.1
269.12256	1.3
283.06161	15.7
283.11777	11.5
283.15332	29.7
283.20428	2.7
284.11917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01863	5.7
55.05500	12.2
56.96550	1.4
57.03424	11.0
57.07059	2.4
65.03922	1.8
67.05498	24.3
69.03420	1.9
69.07053	8.9
71.04964	2.4
73.02909	1.3
78.62234	1.0
79.05482	33.4
81.03411	3.3
81.07043	23.1
83.04952	6.0
83.08614	8.7
89.06033	1.2
91.05469	12.4
93.07034	42.7
93.83727	1.2
95.04961	9.6
95.08598	43.0
97.02899	5.0
97.06520	4.8
97.10133	1.5
99.04455	4.1
99.05077	1.1
105.07011	10.7
106.14169	1.3
107.04941	12.4
107.08579	31.3
107.09298	1.6
109.06523	2.6
109.10130	2.8
111.04432	3.2
111.08070	1.5
117.06997	11.5
119.08556	12.0
121.06498	7.3
121.10134	13.1
125.05978	3.3
126.89649	1.0
129.07013	1.3
130.07764	2.4
131.08539	2.0
133.10101	3.7
135.08069	2.5
135.11678	54.0
139.07503	2.1
145.10104	33.0
147.23676	1.1
149.09677	1.9
163.11165	75.3
169.86104	1.1
173.09592	1.4
181.12222	19.0
190.46048	1.4
191.10655	1.3
209.11658	2.7
209.31795	1.1
227.12747	100.0
228.13152	2.5
283.15320	23.0
283.20667	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01862	5.5
55.05507	13.1
57.03426	12.0
57.07061	1.5
60.77756	1.0
61.02880	1.1
67.05499	20.7
69.03413	2.8
69.07060	8.3
70.12314	4.7
71.04981	2.8
73.02913	2.0
79.05482	28.9
81.03406	3.7
81.07052	22.0
82.23116	0.9
83.04955	4.9
83.08596	9.3
85.02897	1.0
85.06512	1.0
91.05473	11.4
93.07034	39.7
95.04954	9.8
95.08599	41.1
96.08961	1.1
97.02869	4.4
97.06523	5.1
97.10125	1.5
97.21722	1.0
99.04466	4.7
103.05447	5.4
104.05797	1.6
105.07023	9.0
107.04942	11.9
107.08579	33.0
108.05264	1.1
109.02842	1.0
109.06512	3.3
109.10140	2.9
111.04414	2.9
111.08063	1.1
117.06996	12.1
119.08585	10.9
121.02850	5.7
121.06467	6.0
121.10119	14.6
125.05993	3.2
127.07597	1.2
129.06938	1.6
130.07767	1.6
131.04915	2.8
131.08501	1.2
133.10117	2.4
134.09645	2.6
135.04413	2.4
135.08043	3.3
135.09998	2.6
135.11678	53.1
136.12061	1.0
139.07523	1.7
143.08633	1.0
145.06517	1.7
145.10109	28.3
149.09604	1.1
153.05441	2.7
153.12585	1.2
155.08499	1.5
163.03882	1.0
163.11156	68.1
164.11476	1.5
165.05443	1.7
173.09631	1.8
177.05473	1.9
181.04956	2.1
181.12241	19.6
191.10699	1.6
193.04948	17.1
201.49232	1.0
207.06442	1.4
209.11700	2.1
223.07751	1.2
227.12756	100.0
228.13091	2.0
247.09525	1.2
265.10773	1.8
273.65475	2.0
283.06210	2.2
283.09720	2.0
283.15320	27.9
283.20435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01854	4.3
55.05507	15.8
57.03160	1.2
57.03432	14.1
57.07077	2.8
65.03917	1.1
67.05497	25.0
68.30660	1.0
69.03422	1.4
69.07059	11.2
71.04988	4.3
73.02905	2.2
79.05488	31.9
79.63553	1.0
81.03397	2.9
81.07049	22.6
83.04968	6.1
83.08611	9.2
83.59016	1.0
89.06038	2.4
91.05464	10.5
93.07035	47.9
95.04967	9.8
95.08599	42.0
97.02876	5.2
97.06539	4.9
98.20743	2.5
99.04439	6.6
105.07024	13.3
107.04947	11.8
107.08582	31.1
109.06520	3.1
109.10151	3.1
111.04438	3.9
113.05955	1.2
115.66459	0.9
117.07007	12.8
118.01584	1.1
119.08571	12.1
121.06501	6.1
121.10124	15.3
125.05979	4.1
127.07565	0.9
129.07030	1.1
130.07764	3.0
131.08531	2.2
133.08597	1.6
133.10155	3.0
135.08055	2.9
135.11678	55.3
139.07547	2.1
143.08563	1.9
145.10106	31.7
146.10425	1.3
147.11757	1.1
153.12798	1.8
155.08527	1.1
157.10091	1.1
163.11160	80.3
164.11549	1.3
173.09583	2.4
181.12209	16.7
209.11665	2.4
214.28668	1.0
227.12749	100.0
228.13147	2.7
252.23169	1.0
255.15900	1.7
271.67761	1.0
278.80991	1.0
283.06168	1.9
283.10056	1.2
283.15372	25.0
283.20572	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65446	0.8
53.03929	1.8
55.01873	4.8
55.05268	1.2
55.05505	11.3
57.03430	12.1
57.07063	1.7
65.03931	1.1
67.05496	17.9
69.03406	0.9
69.07056	7.3
69.84304	2.4
69.84715	1.8
71.04960	2.4
73.02901	0.8
79.05484	29.1
81.03388	4.1
81.06590	1.4
81.07043	22.5
81.09471	0.8
83.04971	4.3
83.08607	7.4
85.06528	0.8
89.06021	0.9
90.89524	0.8
91.05466	10.9
93.07030	40.2
95.04969	6.6
95.08596	39.5
96.91689	0.7
97.02879	5.6
97.06521	3.5
97.10139	1.3
99.04443	4.3
103.05476	1.2
105.07022	7.6
107.04942	9.8
107.08582	31.3
109.06498	2.0
109.10131	2.6
111.04435	1.7
113.05990	0.9
117.07005	9.6
119.08569	11.1
121.06496	6.5
121.10129	12.2
125.05976	3.8
129.06984	1.0
130.07750	2.9
133.10088	2.4
135.08060	1.6
135.11678	50.1
136.11990	1.5
139.07445	1.1
143.08557	1.1
145.06445	1.3
145.10104	26.4
153.12711	1.5
155.08536	1.3
163.11160	71.0
164.11436	1.2
173.09583	1.4
181.12228	17.2
209.11597	1.6
212.16762	0.8
223.27205	0.8
227.12749	100.0
228.13069	2.1
283.15356	17.8
283.20313	1.5
304.60220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58970	0.9
53.03945	2.9
55.01868	6.1
55.05504	14.3
57.03433	16.6
57.07069	2.2
65.03931	1.3
67.05497	24.6
69.03419	1.5
69.07061	9.4
71.04971	2.8
73.02899	1.9
78.98247	1.1
79.05485	34.8
81.03397	3.4
81.07047	26.0
83.04977	6.3
83.08607	10.5
84.04667	1.0
84.42588	0.9
85.06525	1.1
91.05470	17.6
93.07036	48.0
95.04961	12.1
95.08598	48.7
97.02884	6.4
97.06515	5.3
98.21473	2.2
99.04436	5.7
103.05437	2.0
105.07024	10.8
107.04949	15.2
107.08582	35.2
109.06520	3.2
109.10126	4.3
111.04424	2.5
115.05444	1.1
117.07014	15.1
119.08588	13.7
121.06491	7.3
121.10126	15.0
123.11653	1.7
125.05978	3.7
129.06982	2.4
130.07774	1.5
131.08551	5.5
133.06490	1.0
133.10126	7.3
135.08032	3.0
135.11674	57.0
143.08603	2.4
145.10107	34.7
147.08102	1.2
149.09572	2.0
151.11235	1.2
153.64859	1.1
155.08597	2.2
163.11166	78.2
164.11525	2.0
173.09575	3.1
181.12212	17.7
191.10678	4.0
209.09959	1.1
209.11775	4.1
227.12756	100.0
228.13173	1.7
283.15295	29.4
283.20502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01863	6.5
55.05507	14.7
56.25747	1.1
57.03434	11.9
57.07056	2.2
61.83180	1.0
65.03936	1.6
67.05499	27.1
69.03404	2.7
69.07063	10.3
71.04980	3.5
71.42613	1.0
71.53627	1.6
73.02885	1.7
79.05480	31.9
81.03397	3.6
81.07047	24.8
83.04963	6.1
83.08611	11.3
85.06535	1.4
85.10194	1.2
91.05471	12.4
93.03399	1.4
93.07034	53.2
95.04954	9.4
95.08598	41.6
97.02867	4.4
97.06516	3.5
97.10185	1.4
99.04429	6.3
103.05434	1.4
105.06989	10.0
107.04970	10.3
107.08583	31.5
109.06491	3.0
109.10143	2.7
111.04417	3.3
117.06995	13.2
119.08566	11.8
121.06468	6.6
121.10136	14.4
123.11662	1.7
125.05936	2.3
129.06992	1.4
130.07779	2.2
131.08540	5.2
133.10098	4.8
135.08047	4.1
135.11678	53.9
139.07527	2.7
145.06491	1.6
145.10100	35.4
147.08003	1.3
163.11163	75.1
164.11501	1.2
173.09595	3.3
181.12193	14.2
191.10687	1.4
207.20865	1.3
209.11702	2.3
218.90912	1.1
227.12753	100.0
228.13097	2.3
283.15347	27.8
283.20395	2.7
283.26276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03912	1.4
55.01835	2.4
55.05488	1.1
57.03396	1.7
57.07043	0.7
59.15208	0.5
59.99446	0.5
65.03893	0.6
67.05497	3.0
68.99751	1.8
69.03373	1.6
69.07027	2.0
70.06545	2.3
71.04975	1.2
71.52543	0.8
72.62032	0.5
75.04430	0.8
75.12938	0.5
77.03880	0.6
79.05492	6.3
79.30328	0.5
81.03411	3.5
81.07064	3.3
83.04919	2.3
83.08575	0.5
84.08105	0.6
85.02901	0.8
86.09686	1.0
91.05477	4.2
93.07024	2.8
95.04958	3.9
95.08570	1.2
97.02875	4.0
97.06492	1.9
99.04397	1.6
103.05406	2.1
105.03295	0.6
105.07019	11.5
105.63776	0.6
107.04951	4.7
107.08552	1.7
109.02835	0.9
109.06464	1.8
111.04404	1.3
112.07549	1.6
115.05411	2.2
117.07006	1.6
119.04893	1.6
119.08560	0.9
120.08054	0.6
121.02836	4.6
121.06495	3.7
121.10084	0.8
123.04384	2.4
125.05939	1.0
128.06183	0.9
129.06963	1.2
130.53215	0.5
131.04883	1.6
131.08504	2.3
133.02821	0.8
133.06485	13.2
133.10025	0.9
135.04375	2.7
135.08029	1.1
135.11635	1.0
137.05930	1.6
139.03868	0.9
141.05432	0.8
141.06984	0.7
142.07742	0.6
143.04895	1.9
145.06427	2.3
145.10092	1.7
147.04382	1.4
147.08020	1.1
149.05975	6.5
149.09535	0.8
151.03888	4.8
153.05414	2.5
153.06958	0.7
155.08492	2.4
158.07181	1.5
159.04362	1.4
159.07999	2.0
161.05963	36.7
161.09625	0.9
163.03871	2.0
163.07562	1.0
163.11166	1.6
164.04532	1.2
165.05519	5.3
167.07007	0.7
171.04356	1.2
171.07971	0.7
173.05930	2.2
173.09631	4.1
174.21574	0.5
175.07526	1.2
177.05458	18.2
177.09039	0.9
179.07021	9.3
181.04961	0.5
183.06543	0.7
183.07976	1.2
185.06053	0.7
186.06683	1.5
187.07539	1.7
189.05449	30.1
189.09023	1.3
191.06998	1.9
191.10675	0.9
193.04944	15.9
193.06728	0.8
195.06509	31.4
199.07521	1.3
201.05486	3.7
201.09082	7.3
203.07010	1.5
205.04912	1.4
205.08578	2.3
207.06508	100.0
208.06894	1.6
209.06161	0.7
209.08098	1.8
209.11717	1.3
211.05893	5.4
213.05409	0.7
214.06194	1.9
215.06924	1.0
216.07733	2.9
217.08578	1.5
219.06638	0.6
219.10185	3.8
221.08086	1.3
223.09695	0.8
225.11137	0.8
229.08583	17.2
232.07211	1.7
235.09654	1.8
237.11244	5.3
247.09624	40.6
252.09357	2.9
255.06566	0.9
265.10684	36.1
266.11096	1.0
283.06049	2.0
283.11758	24.1
283.15338	2.1
284.11945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1173
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
52.76061	0.7
54.87993	0.6
55.01850	2.2
55.05492	1.3
57.03415	1.6
58.57609	0.6
59.04986	2.1
60.66126	0.7
63.10233	0.6
65.03939	1.1
67.05496	4.3
68.91548	0.6
68.99783	2.4
69.03413	2.2
69.07053	2.0
70.06581	1.0
70.13656	0.6
71.04979	1.6
71.13593	1.3
71.13918	0.9
79.05483	6.3
81.03393	2.1
81.07034	4.5
83.04964	2.5
83.08611	1.5
85.02895	1.1
85.06512	2.4
89.06059	0.7
91.05465	5.3
93.07039	5.3
95.04945	3.1
95.08588	2.9
97.02885	1.5
97.06503	1.8
99.04441	1.0
103.05461	1.8
105.07030	3.5
107.04286	1.2
107.04944	10.5
107.08568	2.1
109.02891	1.5
109.06510	2.6
109.10126	2.0
111.04400	2.2
111.08094	0.9
116.61763	0.7
117.07040	1.6
119.04932	2.0
119.08551	3.7
121.02849	9.7
121.06497	2.4
121.10102	2.1
123.04428	1.7
123.08053	1.3
125.05996	0.8
128.06180	1.5
131.04918	0.9
131.08546	3.1
133.02843	1.4
133.06433	1.0
133.10146	0.8
134.09579	0.8
135.04402	12.7
135.08029	1.6
135.11674	1.9
137.05956	7.5
139.03929	0.9
139.07535	0.8
141.01790	1.1
141.05447	1.3
143.08556	1.5
145.06435	2.6
145.10092	2.0
147.04378	2.3
147.08011	2.2
148.05151	0.6
149.05937	2.3
149.09619	1.5
150.03166	0.9
151.03891	5.8
151.07573	0.8
152.04634	2.2
153.05447	16.8
153.12737	0.8
157.10121	0.8
159.08061	1.2
159.11613	0.7
161.05977	2.1
161.09586	1.0
163.03825	0.8
163.07452	1.0
163.11134	3.2
165.01805	3.0
165.05458	100.0
166.05786	1.2
167.07051	4.1
171.08047	2.0
173.05965	2.2
173.09601	1.3
174.06763	1.0
177.05453	11.3
177.09058	10.0
179.06987	2.1
179.10614	2.9
181.04843	1.1
181.12196	1.0
183.02859	2.8
187.07518	2.1
189.05508	1.4
189.09076	1.0
191.07024	1.7
191.10681	3.4
192.04118	1.0
192.07753	0.9
193.04948	9.1
201.09079	3.1
205.04845	1.1
205.08594	2.9
207.06531	2.4
207.10138	10.3
209.11673	0.7
210.08826	1.0
211.09233	0.7
215.07030	0.8
217.04933	1.6
219.10138	30.6
221.08156	1.1
225.11133	5.2
227.12842	1.9
232.07285	1.0
237.11189	56.8
247.09651	8.7
265.10678	53.3
266.10867	0.8
268.97571	0.8
269.12469	0.9
274.30499	0.8
283.06070	12.2
283.08813	1.5
283.11749	29.0
283.15186	8.0
283.20352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1175
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
51.62743	0.8
53.03939	1.9
55.01857	4.3
55.05510	8.0
56.96569	0.8
57.03434	5.9
57.07069	1.0
59.04988	1.9
65.03909	1.2
67.05496	12.4
69.03429	2.1
69.07056	4.8
70.58254	2.0
70.58660	1.6
71.04984	3.1
72.08104	0.9
73.02906	1.0
79.05486	16.9
81.03410	3.0
81.07046	13.9
83.01336	2.0
83.04975	3.7
83.08615	4.6
85.06538	1.4
91.05470	11.1
93.03416	1.9
93.06475	1.7
93.07033	20.3
94.04189	1.1
95.04967	6.5
95.08595	18.0
97.02873	3.1
97.06519	2.2
99.04441	3.4
105.03380	1.8
105.07028	6.5
107.04939	8.9
107.08584	15.0
109.02874	1.3
109.06509	7.2
109.10149	1.8
111.04424	2.3
114.88793	0.8
117.06994	5.6
119.04924	4.6
119.08566	5.9
121.02860	5.9
121.06484	4.6
121.10125	6.8
123.04433	1.9
125.05996	1.8
128.50964	0.8
129.06950	0.9
130.07776	1.5
131.08600	1.7
133.10094	2.3
135.04428	1.6
135.08055	2.4
135.11684	27.3
136.42201	0.8
137.05992	5.2
139.03889	2.2
145.10094	15.3
147.04399	4.1
149.06017	1.1
150.03128	3.1
151.03914	3.6
153.05533	1.9
159.08054	1.0
159.11591	0.8
161.05994	1.8
163.03882	4.1
163.11171	36.3
165.05527	4.5
166.02657	1.0
169.05008	5.1
175.03915	1.3
177.05519	1.8
178.02562	5.3
179.03336	1.9
179.07082	0.9
181.04985	2.9
181.12204	7.4
187.07552	1.3
191.07040	2.6
191.10876	0.8
193.04944	59.7
195.02864	0.9
195.06480	1.4
196.03679	5.4
197.04466	3.6
197.06029	1.1
205.04959	1.5
205.08568	2.3
207.06526	2.1
208.03709	3.0
209.04341	1.3
210.05261	1.8
211.05991	77.5
217.04977	3.8
219.10164	1.4
221.04355	0.9
221.08122	1.0
222.08846	1.6
223.06044	4.2
223.09628	1.7
225.07579	2.0
227.12764	50.3
228.13025	0.9
229.08678	1.1
235.05972	14.9
247.09566	6.4
250.08350	4.1
260.40253	0.8
265.10703	25.1
268.09369	1.3
283.06464	2.3
283.11795	100.0
283.15332	11.5
284.12079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0597
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
55.01627	0.4
55.01866	3.7
55.05497	0.5
57.07058	0.4
59.04982	0.4
62.04003	0.3
65.03928	0.3
67.05489	0.8
68.99774	1.6
69.03411	0.4
69.07054	0.8
71.52625	0.3
79.01833	0.8
79.05484	0.7
79.29973	0.2
81.03422	1.0
81.07052	1.0
83.04991	0.3
83.08598	0.3
89.06004	0.2
91.05453	0.7
92.99758	0.6
93.07039	1.0
95.04974	0.4
95.08590	0.7
97.02876	1.0
97.06557	0.3
99.00803	0.7
105.07020	0.4
106.99662	0.2
107.08569	0.7
109.02861	0.4
111.04464	0.5
119.04936	3.4
119.54654	0.2
121.02852	9.2
121.10118	0.4
123.00830	0.5
135.11684	0.3
137.02318	2.4
141.01814	9.4
141.02908	0.5
145.10104	0.5
153.06960	0.3
155.03392	0.4
158.14430	0.2
163.11133	0.6
165.01819	33.8
166.02242	0.4
178.86627	0.2
180.85788	0.2
181.12292	0.2
183.02872	28.6
184.03220	0.3
227.12700	0.7
255.06377	0.5
264.26923	0.3
282.27869	1.8
283.05972	100.0
283.28168	0.7
284.06219	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2471
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05503	50.6
57.07066	50.2
67.05492	57.3
69.07063	100.0
69.82548	12.7
69.82965	23.3
71.04993	7.0
71.08607	24.7
79.05483	19.2
81.07051	80.9
83.08610	80.9
85.06507	8.8
85.10176	9.7
91.05469	29.9
93.07033	45.2
95.08597	83.4
97.06504	10.5
97.10171	55.6
105.07001	22.7
107.08565	31.5
109.10147	53.6
111.11685	24.5
113.59906	5.9
119.08522	27.4
121.10118	28.6
123.11674	22.5
125.13268	14.6
127.32823	6.9
133.10098	32.5
135.11674	13.2
137.13206	11.2
147.11652	22.8
149.13226	25.9
151.11002	6.3
161.13188	17.9
163.14734	13.1
165.12837	8.3
175.14781	15.6
189.16316	8.6
197.13287	10.5
221.22585	16.3
245.22658	59.3
263.23709	30.6
281.09384	7.4
281.16077	9.0
281.18893	39.5
282.27927	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	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.4
53.03949	10.1
55.01852	6.1
55.05507	38.3
56.82358	1.9
57.03430	29.6
57.07066	3.6
65.03924	5.9
67.05499	88.5
67.47601	1.6
68.60844	1.9
69.03429	3.7
69.07064	21.6
70.06589	1.6
71.04979	4.8
73.06546	2.1
79.05488	100.0
81.03408	14.6
81.07050	71.1
81.07535	3.7
81.49237	1.8
82.66427	1.6
83.04971	32.0
83.08607	10.3
85.02918	3.0
85.06509	3.5
91.05471	71.8
91.37919	1.5
93.07031	73.8
95.04955	31.3
95.08599	45.2
97.02882	3.4
97.06525	7.7
97.10164	5.2
98.21495	4.7
99.08117	1.8
103.05466	3.4
105.04510	3.8
105.07019	54.1
105.07694	3.5
107.04948	39.6
107.08572	27.0
109.06503	9.9
109.10111	8.3
111.08107	2.5
111.78993	1.6
115.05446	3.0
117.07018	12.3
119.04931	3.9
119.08571	38.1
121.06517	4.8
121.10143	10.3
123.08038	10.1
128.06226	4.9
129.06993	22.8
131.04980	1.8
131.08557	5.7
133.06459	3.6
133.10124	17.4
135.04411	1.7
135.08073	3.6
135.11662	3.4
137.05971	2.5
137.09634	2.7
141.09016	2.4
142.07799	2.0
143.08563	9.8
145.06509	2.1
145.09087	1.6
145.10110	11.6
147.08020	5.4
147.11671	38.0
151.11324	1.6
157.06439	3.3
159.11673	2.2
161.05956	2.2
161.09624	5.8
161.13235	18.9
171.11681	28.7
175.07507	3.7
185.05969	2.9
185.13239	1.6
189.12700	9.9
191.07040	2.1
193.04927	3.7
193.08524	2.6
195.11861	1.9
203.07066	4.8
205.04959	2.9
207.13733	11.1
209.04523	3.8
213.05489	5.7
217.08578	1.8
223.09642	4.9
231.06561	4.3
233.04420	16.2
235.09702	10.0
248.06808	4.2
263.09113	37.0
281.17398	35.4
283.03082	2.5
299.06046	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	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.7
55.01854	6.9
55.05508	29.4
57.03432	22.3
57.07087	3.7
65.03937	5.0
66.75913	2.6
66.98474	2.7
67.05499	78.7
67.12219	2.7
68.99790	3.7
69.03420	6.7
69.07056	17.0
70.77062	6.3
70.77400	2.8
71.04983	5.3
79.05483	100.0
81.03416	13.2
81.07045	68.7
83.04974	29.8
83.08607	10.1
85.02927	3.0
85.06523	4.8
91.05466	75.5
93.07032	69.0
95.04970	26.6
95.08001	3.1
95.08597	48.5
97.02835	3.2
97.06536	5.2
97.10156	4.9
105.07021	63.3
106.07346	3.9
107.04950	47.5
107.05643	5.2
107.08584	23.2
107.55310	2.6
109.06530	10.0
109.10143	10.5
111.08053	3.7
111.92699	2.9
115.05448	5.1
117.07005	15.8
119.04942	6.1
119.08570	38.0
120.94031	3.1
121.02835	4.9
121.06501	11.8
121.10126	8.0
123.08095	10.0
128.06223	13.6
129.06992	34.9
131.08563	6.9
132.05768	3.6
133.06448	4.6
133.10117	21.2
135.08035	5.8
135.11626	3.8
137.05951	3.8
137.09616	3.2
143.08511	13.1
144.05815	3.3
145.06459	7.8
145.10127	14.0
146.07256	4.5
147.08008	15.8
147.11670	32.6
149.02429	3.4
149.09572	3.3
153.05525	3.4
157.06418	17.4
159.08020	3.1
159.11629	3.6
161.05910	4.8
161.09589	8.9
161.13257	12.6
169.10152	3.0
171.11696	23.7
173.05914	3.1
175.07523	16.8
177.05411	3.7
178.02631	3.1
181.04996	4.6
185.05943	25.8
189.09135	2.9
189.12709	16.2
191.07007	5.6
193.04980	16.0
193.08582	6.6
199.14844	2.8
203.03481	3.4
203.06984	35.8
205.04910	11.3
207.13759	13.2
209.04437	14.9
213.05432	56.0
217.08615	8.9
220.07288	9.2
223.09613	26.1
231.06438	13.6
233.04453	12.3
235.09624	24.5
245.08109	15.2
263.09106	85.7
264.09521	4.9
281.10107	18.4
281.17542	28.3
281.20703	5.6
299.06290	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	281.1745
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
53.03939	8.4
55.01863	5.2
55.05506	37.6
57.03434	34.1
57.07079	2.3
63.84451	1.9
65.03931	5.3
67.05501	99.2
69.03414	3.8
69.07058	17.1
70.58688	5.8
71.04982	2.6
73.06563	2.0
79.05489	100.0
80.59414	1.8
81.03397	12.5
81.07050	58.5
83.04977	35.7
83.08606	11.0
85.06536	4.8
91.05474	65.8
91.06026	4.0
93.07035	75.3
95.04968	34.4
95.07992	2.2
95.08601	43.1
97.06530	6.9
97.10181	4.7
105.07021	46.0
107.04964	17.5
107.08588	17.6
109.06520	8.4
109.10163	7.4
111.08105	2.3
111.72167	1.8
117.07014	10.1
119.08567	34.2
121.06490	4.9
121.10149	5.5
123.08047	9.0
123.11651	2.3
127.07498	3.2
128.06163	3.0
129.06990	17.2
131.08589	2.7
133.06494	3.5
133.10132	13.4
135.11702	3.2
143.08517	11.1
145.10124	12.8
147.04501	2.2
147.08051	5.1
147.11667	40.0
161.09598	6.0
161.13249	15.1
165.05399	2.2
171.11670	32.9
177.09138	8.8
177.42451	1.9
179.03389	3.2
189.12759	10.4
193.08542	5.3
196.13890	1.9
205.08586	31.2
207.13803	13.2
212.22609	2.0
215.07111	2.9
225.03903	2.1
245.11691	9.6
263.12827	5.2
266.34344	2.0
271.30484	2.2
281.14151	2.6
281.17426	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03944	1.2
57.07058	0.2
70.14876	1.0
77.03941	0.3
79.05482	8.5
88.58567	0.2
95.04957	1.6
95.08568	0.2
103.04800	0.4
103.05455	5.7
105.07014	100.0
106.07358	0.9
118.06511	1.0
132.08101	0.3
133.08859	0.2
137.04214	0.2
146.09558	0.4
149.02315	0.7
150.02670	0.7
158.86507	0.2
160.11153	0.3
176.14323	5.2
213.05405	0.3
236.14377	0.3
237.15204	0.2
263.09131	0.6
280.20560	87.1
281.20834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06136	1.7
52.23295	2.0
53.03931	5.3
53.67691	2.1
55.01849	8.1
55.05489	8.5
56.96557	22.7
57.03426	17.0
59.58102	1.9
60.04508	2.0
61.02913	8.8
65.03937	2.0
66.06875	1.7
67.05480	1.9
69.03419	32.1
69.07065	3.1
70.06564	6.3
71.04984	4.8
71.45917	3.8
72.08147	32.8
73.02912	16.1
74.06046	2.1
74.97591	2.5
79.05482	4.3
80.84175	2.4
81.03401	32.1
81.07029	2.2
83.04984	11.2
84.04485	4.4
84.08127	9.3
84.96003	3.7
85.02888	38.1
86.09665	3.0
87.04465	3.9
91.05412	22.0
93.07045	4.2
95.04952	4.2
95.08610	3.8
97.02885	20.5
98.06057	3.3
98.97559	26.2
99.04404	4.5
103.05469	9.1
105.07021	10.4
107.04939	100.0
108.01607	2.4
109.02840	3.6
109.06492	2.6
110.92080	2.0
110.97566	5.2
111.04443	9.7
112.07597	4.4
113.01667	1.9
115.05450	3.4
116.98607	25.1
117.07002	3.2
119.01806	5.6
119.04919	18.8
119.08514	2.5
120.08086	78.2
121.02847	7.2
121.06471	10.2
121.08405	8.0
123.04391	2.4
127.03891	15.5
128.98592	8.5
129.05492	11.9
129.10210	4.1
130.08627	3.0
131.00099	2.8
131.04884	5.3
133.06485	25.5
134.99644	11.9
135.08041	3.2
136.06200	10.1
136.07544	59.6
137.05952	9.5
139.03839	2.7
145.04951	5.3
145.06403	9.9
146.99628	8.4
147.04381	6.9
147.08041	5.2
149.01170	3.4
149.05951	34.4
151.07460	2.2
152.05721	3.0
155.02811	4.9
157.06444	5.0
158.06564	10.7
158.99620	9.2
159.08032	2.7
161.01276	4.6
161.02766	3.1
161.05934	11.0
162.99101	3.7
163.03857	3.4
163.07469	2.0
165.00755	2.3
165.05522	3.0
170.03345	2.4
170.99635	5.2
171.08020	5.5
173.05952	7.0
174.04329	3.5
175.07491	6.4
176.07660	17.0
177.00691	11.6
177.05484	6.3
178.03789	3.4
179.06970	2.7
182.03299	3.6
182.08061	3.8
186.04285	3.1
187.04343	6.0
188.07713	2.4
189.00688	8.6
191.03879	10.4
191.06969	6.4
197.01143	2.2
197.05708	2.0
199.07489	5.3
200.04309	5.8
201.00795	3.1
203.07053	6.3
204.05522	3.7
211.02826	2.7
217.08537	3.2
219.01775	5.1
223.05016	2.0
225.10847	3.8
227.02077	2.3
237.02892	6.5
243.11887	5.7
245.08083	5.1
249.02606	2.1
251.12344	21.0
261.02545	1.8
262.05862	2.4
263.09119	25.7
263.12341	9.0
266.99863	8.5
269.13409	18.2
281.04666	1.9
281.10208	14.4
281.13480	23.7
283.02942	7.2
299.06174	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	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92105	2.3
53.03940	9.9
55.01865	5.9
55.05507	37.8
56.96555	3.9
57.03432	37.7
57.07058	5.8
65.03924	7.1
67.05502	100.0
69.03416	7.0
69.07064	22.4
71.04976	11.1
71.53152	4.3
71.54129	2.8
72.08139	6.9
79.05487	93.2
81.03407	11.4
81.07050	77.3
82.15597	2.7
83.04973	35.0
83.08604	11.3
84.08142	3.2
85.02912	4.3
91.05466	75.7
93.07037	75.8
95.04954	34.8
95.08601	50.1
96.72527	2.4
97.06515	12.3
97.10174	8.6
98.97562	5.7
103.05473	3.1
103.84315	2.3
105.07019	56.4
107.04914	7.8
107.08581	28.6
109.02879	4.1
109.06487	13.2
109.10136	10.8
111.08039	3.1
115.05406	3.4
116.98611	5.1
117.07005	11.0
119.04947	3.8
119.08553	35.0
121.06494	5.8
121.10134	9.7
123.08083	13.4
123.11640	2.8
127.07529	3.0
128.06242	4.2
129.06960	18.7
131.08601	4.8
133.06441	4.0
133.10133	15.7
134.76170	2.7
135.08064	4.3
135.11742	2.8
142.91727	2.5
143.08574	8.4
145.10120	13.6
147.08014	4.5
147.11679	44.2
150.02600	2.8
151.02745	2.3
153.05554	3.6
161.09523	6.2
161.13243	15.1
163.03856	6.8
163.11130	3.2
170.38245	3.1
171.11700	28.6
179.14287	3.1
181.05000	4.6
189.12698	10.8
193.04935	44.9
194.05273	2.7
197.04512	3.1
200.12453	3.6
203.06833	3.0
207.13820	9.4
209.04384	15.3
209.13133	3.3
235.11038	3.4
244.11444	13.7
257.14102	3.5
263.09238	8.0
266.99863	4.9
272.14453	8.9
272.64771	3.6
281.10458	4.0
281.14850	3.9
281.17368	30.3
281.22214	5.9
283.03046	3.3
299.06137	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03933	1.1
55.05504	6.6
57.07068	2.3
65.03938	2.6
66.04722	0.6
67.05497	97.8
69.07059	8.2
69.49825	4.1
71.04983	1.1
76.83544	0.5
79.05481	10.4
81.07047	100.0
82.07381	0.8
83.04967	1.1
83.08620	4.6
84.23643	0.5
85.06522	1.1
91.05455	2.7
93.07034	7.3
95.04948	0.6
95.08595	73.1
96.08923	1.0
97.06507	1.2
97.10162	2.1
99.08068	0.6
105.07021	2.5
107.08574	6.0
109.06509	1.4
109.10143	46.8
110.10477	0.6
111.08041	0.9
111.11708	0.9
117.06997	0.6
119.08579	2.2
121.10130	5.2
123.08093	1.2
123.11692	29.1
131.08548	2.8
133.10114	2.2
135.07999	0.5
135.11668	4.1
137.09612	1.2
137.13237	11.0
138.01184	0.5
145.10117	2.2
147.11679	2.0
149.02347	3.0
149.09615	1.5
149.13243	2.4
151.11118	0.9
151.14813	2.5
153.09122	0.9
159.11681	1.6
161.13197	1.8
163.11139	1.5
163.14780	1.4
173.13228	2.5
177.12709	1.5
181.12164	0.9
187.03609	0.5
187.14801	1.9
191.14334	0.7
195.13788	1.1
205.15891	0.9
209.15329	1.8
223.16895	2.1
237.18478	1.5
243.20990	1.6
261.22113	2.8
279.23157	32.1
280.23398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.87780	0.5
53.03945	1.0
55.01862	0.6
55.05503	9.5
57.03430	1.1
57.07069	3.3
65.03930	3.0
67.05498	97.6
68.05831	1.1
69.07058	10.2
70.62273	1.4
71.04979	1.6
79.05014	0.7
79.05487	14.1
81.07047	100.0
83.04973	1.8
83.08611	5.9
85.06534	1.5
91.05466	4.9
93.07034	14.4
95.04951	1.1
95.08598	88.0
96.08931	1.1
97.06525	2.2
97.10155	4.3
99.08080	0.9
105.07033	3.7
107.08584	10.8
109.06516	0.7
109.10145	50.1
110.10488	0.8
111.08083	0.8
111.11705	1.6
117.07013	1.6
118.90168	0.5
119.08590	3.8
121.02862	0.6
121.10123	8.7
123.08056	1.3
123.11693	27.2
125.09616	1.0
127.07531	0.5
131.08545	4.5
132.98764	0.5
133.10097	2.8
135.08066	1.3
135.11676	6.0
137.09608	1.7
137.12210	0.7
137.13243	10.6
145.10109	3.4
147.11641	3.2
149.02330	11.8
149.09546	1.4
149.13252	3.0
151.11198	0.6
151.14850	2.5
159.11658	3.0
161.13254	2.0
163.11176	1.7
163.14850	2.0
165.12737	1.0
165.16331	0.7
167.10541	0.5
173.13193	4.2
177.12718	2.0
177.16418	1.1
179.14275	1.7
181.12262	1.7
187.14798	3.5
191.14207	1.2
195.13828	3.0
205.15855	1.2
209.15327	4.1
219.21077	1.5
223.16838	2.9
237.18503	1.3
243.21077	4.2
261.22116	5.2
279.19717	2.4
279.23160	43.6
280.23453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03940	0.9
55.05502	9.3
57.03426	1.1
57.07071	6.9
61.75416	0.8
64.84147	0.6
65.03928	2.1
67.05497	100.0
68.05827	0.8
69.07058	10.9
71.04987	1.3
71.05603	1.3
71.05935	0.7
71.08589	0.8
75.15459	0.6
79.05480	15.0
81.07047	90.6
82.07368	1.3
83.04973	1.7
83.08609	5.5
84.83196	0.6
85.06530	1.7
91.05465	5.6
93.07031	12.2
95.04993	0.8
95.08595	80.9
96.08988	0.6
97.06519	1.4
97.10157	3.2
99.08058	0.9
105.07042	4.5
107.08572	9.1
109.06477	0.8
109.10144	46.0
111.08082	1.2
113.04749	0.6
117.06975	0.9
119.08559	3.4
121.02841	0.9
121.06551	0.7
121.10133	8.1
123.08074	1.9
123.11691	23.8
125.09637	0.7
127.25738	0.6
127.93589	0.6
131.08507	4.1
133.10118	3.0
135.08069	1.0
135.11691	4.8
137.09602	1.7
137.13240	10.0
139.07553	0.9
145.10130	4.0
147.11665	2.5
149.02319	32.1
149.09576	2.1
149.13208	3.9
150.02620	1.1
151.11182	1.6
151.14853	3.3
159.11656	2.2
161.13261	1.9
163.11142	2.0
163.14780	2.6
165.12720	1.2
167.03368	1.3
167.10718	1.0
173.13234	3.5
177.12700	1.3
177.16377	1.0
181.12193	0.7
187.14790	2.6
189.19675	0.6
191.14301	1.8
195.13736	2.2
201.16403	1.2
205.15817	1.5
209.15314	2.1
219.21059	1.5
223.16933	3.2
233.22665	0.7
237.18483	1.2
243.21051	2.6
261.22092	4.2
279.09158	0.9
279.19571	2.4
279.23135	30.0
280.23465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03931	1.2
55.05502	10.2
57.03426	0.6
57.07059	3.8
57.53798	0.5
62.60526	0.6
65.03922	2.4
67.05495	99.9
68.05845	1.0
69.07055	10.5
69.96436	3.1
71.04990	2.0
79.05479	15.4
79.05920	1.2
81.07043	100.0
82.07367	1.3
83.04980	1.1
83.08608	5.3
85.06533	1.7
91.05448	4.6
93.07031	13.5
93.07561	0.5
95.08594	84.1
96.08918	1.0
97.06502	1.6
97.10159	2.9
98.39664	0.5
99.08048	0.7
101.06034	0.6
105.07005	3.8
107.08567	9.9
108.08787	0.5
109.06484	1.3
109.10139	44.9
110.10466	0.8
111.08061	0.8
111.11684	1.2
117.06962	0.7
119.08576	3.5
121.10107	6.9
123.08058	1.3
123.11688	23.7
125.09607	1.2
131.08536	4.2
133.10097	2.7
135.08034	0.7
135.11664	6.0
137.09538	1.5
137.13239	10.3
145.10081	3.0
145.96463	0.6
147.11649	2.3
149.02327	8.2
149.09601	2.4
149.13268	2.8
151.11075	0.8
151.14764	2.5
159.11674	1.9
161.13229	2.2
163.11188	1.6
163.14798	2.1
165.12724	1.6
165.16357	1.6
167.10663	1.1
173.13249	3.5
175.14873	0.8
177.12708	2.1
177.16434	1.0
181.12199	2.0
183.29337	0.6
187.14796	3.1
191.14284	1.3
195.13760	3.6
204.28828	0.6
205.15842	0.9
209.15266	3.1
219.21138	0.8
223.16925	3.0
237.18456	0.7
243.21164	3.0
261.22150	4.5
262.85101	0.6
267.61844	0.5
279.19891	2.1
279.23141	36.8
280.23410	2.1
291.62375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.17
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07061	2.4
62.48658	0.4
63.38457	0.5
70.65422	1.6
77.07488	0.5
86.09700	100.0
87.10022	0.9
87.30086	0.5
91.05493	1.0
93.07039	0.8
99.49606	0.5
99.50239	0.5
103.05461	2.8
120.08098	64.8
121.02908	0.9
121.08468	0.8
127.26670	0.6
132.10187	1.0
149.02330	14.4
164.04692	0.6
166.08626	9.7
166.09930	0.7
207.06621	0.6
213.82562	0.5
220.11148	0.5
233.16502	1.2
279.17062	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	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.02403	0.4
55.05513	0.4
57.07072	2.4
65.03931	0.5
67.05499	1.1
69.03419	0.3
69.07059	0.8
70.06580	0.7
71.04982	0.4
71.52138	0.3
71.52488	0.3
72.08138	0.4
79.05481	0.4
81.03412	0.4
81.07047	1.2
84.08125	0.4
86.09700	8.7
91.05454	1.4
93.07038	1.8
95.04948	0.6
95.08611	0.7
97.02910	0.3
98.97603	0.6
103.05463	6.3
105.03402	0.4
105.07076	0.6
107.01315	0.5
107.04932	0.6
107.08573	0.3
109.10152	0.5
115.05408	0.3
119.08617	0.3
120.01173	0.5
120.08093	100.0
121.02829	0.9
121.06509	0.3
121.08439	1.1
124.20639	0.3
131.04875	0.4
131.08575	0.4
132.10201	2.8
133.02802	0.5
135.00784	2.4
136.07578	0.5
145.02696	0.3
145.06491	0.4
147.08000	0.5
149.02332	19.6
150.02565	0.4
157.72035	0.3
159.08028	0.3
161.02350	1.1
162.03188	1.5
163.03900	0.5
167.03412	0.4
175.07578	0.4
177.05479	0.6
189.01779	0.5
189.05417	0.3
191.03369	0.4
195.03017	0.4
207.02907	5.9
208.03276	0.3
215.06999	0.4
219.02800	0.3
233.16557	2.4
261.07486	1.3
279.08594	23.0
279.16940	2.7
280.09021	1.3
301.79276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Paralemnolin D
Peak:m/z	Relative Intensity
50.23018	2.2
55.05503	11.7
57.07074	20.8
59.04994	2.6
65.87573	3.4
67.05499	50.0
69.07063	21.0
69.23252	7.0
69.23654	16.9
71.08631	3.9
73.09911	2.5
79.05492	17.3
81.07045	54.3
83.04973	6.5
83.08653	6.5
83.28364	2.1
83.49073	2.0
90.38931	1.9
91.05476	26.3
93.07029	37.8
95.04944	5.4
95.08592	50.6
97.06499	5.0
97.10186	2.2
97.27864	2.3
98.20768	4.3
99.08071	2.8
99.92575	2.2
105.07011	30.2
107.08576	31.8
109.06500	4.3
109.10145	32.0
111.08084	5.9
112.51289	2.1
115.05392	2.3
117.07045	15.9
118.17847	2.2
119.08556	23.5
121.02866	3.4
121.06499	2.6
121.10143	19.9
121.30234	2.3
123.08043	4.9
123.11710	8.7
130.07802	3.3
131.08525	21.6
133.10114	17.9
135.11694	14.9
137.09593	5.8
137.13200	4.7
144.41972	2.5
145.10095	47.9
147.11644	8.2
149.02325	100.0
149.03513	5.2
149.09622	3.5
149.13203	5.4
151.11212	3.4
153.71661	2.3
159.11646	28.6
161.13234	10.7
163.11180	6.4
167.03439	3.6
173.13290	9.2
181.78183	2.2
201.16357	37.6
219.17361	22.7
237.18520	4.6
279.09198	5.5
279.19540	20.7
279.23175	11.0
280.26294	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	279.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
56.05016	0.5
57.07070	1.9
67.05503	0.3
69.07063	11.8
69.63397	1.0
69.63832	1.1
81.07018	0.4
86.09700	100.0
87.10033	0.5
88.47914	0.3
91.05466	0.6
103.05478	0.6
107.04937	0.5
111.04459	0.3
120.08099	12.1
121.02865	0.5
131.08517	0.5
136.07535	0.5
147.08113	0.3
149.02332	13.0
149.45381	0.3
159.08093	0.8
161.09607	0.3
163.03894	0.4
166.08635	4.9
169.06459	0.3
187.07558	0.9
200.04642	0.3
205.08594	0.6
215.07085	0.8
233.08095	2.6
233.16470	0.4
279.08655	1.4
279.17007	2.2
283.81030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1224
Annotation	Populene G
Peak:m/z	Relative Intensity
53.03920	1.8
55.01863	1.7
55.05492	2.8
57.03418	1.4
57.06836	0.8
57.07064	11.1
60.80540	0.8
60.89227	0.8
60.98977	0.8
65.03918	2.7
67.05491	5.9
68.99776	1.3
69.03405	2.8
69.07068	6.2
70.06544	0.9
70.74711	1.5
70.75036	1.0
71.04973	1.2
71.08605	1.4
79.05467	4.7
80.04971	0.7
81.03415	4.7
81.07037	8.0
83.04948	2.1
83.08596	2.2
85.06509	1.0
91.05466	10.6
93.07030	4.4
94.78498	0.8
95.04938	3.0
95.08589	7.2
97.06492	1.7
97.10123	1.1
99.04445	1.0
99.08022	0.9
103.05444	2.2
105.03307	1.1
105.07006	6.0
107.04926	3.2
107.08578	4.0
109.02847	3.4
109.06480	2.8
109.10125	3.8
111.04401	1.3
115.05394	2.7
116.06192	2.2
116.98597	1.0
117.06998	3.7
119.04909	5.2
119.08572	2.1
120.08089	1.7
121.02851	6.4
121.06491	3.4
121.10102	2.7
123.04411	1.4
123.08058	1.0
123.11698	2.4
125.02370	0.8
128.04677	1.3
128.06172	3.5
129.07001	4.5
130.07765	1.2
131.04895	2.4
131.08528	6.7
132.05647	1.0
133.02751	0.9
133.06473	2.7
133.10088	1.6
134.09665	1.2
135.04384	1.9
135.08008	2.1
135.11668	1.8
137.02304	1.8
137.05972	1.7
137.13246	0.9
139.03825	1.0
141.06958	1.9
142.07727	0.8
143.08540	4.5
144.05653	2.5
145.06442	6.3
145.10077	4.8
145.89413	0.8
146.99593	1.0
147.04396	9.5
147.08000	2.2
149.02316	78.1
149.05959	3.3
149.09514	1.3
149.13232	1.4
153.05464	1.6
153.06949	1.2
155.08539	4.8
157.06456	2.0
158.07246	2.6
159.04404	2.0
159.08052	7.9
161.05949	3.7
161.09560	1.9
162.06714	0.9
163.03891	3.4
163.07458	2.5
165.01788	10.5
165.05432	3.1
167.03342	2.6
167.07042	0.9
168.27470	0.8
169.06456	1.5
171.08023	3.3
171.84242	1.0
173.05962	2.6
173.09576	9.1
173.13246	1.1
175.03894	3.6
175.07573	4.6
176.04659	2.3
177.05449	4.8
177.08965	1.9
178.06206	2.6
179.07008	2.0
181.04965	2.1
183.08043	2.6
184.05080	0.9
185.04410	1.7
185.05923	1.4
186.06761	1.2
187.03906	4.8
187.07521	9.5
188.08351	0.8
189.05403	3.7
189.09050	4.3
190.06194	1.3
191.03426	1.2
191.07108	5.0
191.10585	1.2
192.04131	1.0
193.04901	1.5
195.06470	1.7
196.07307	1.6
199.07593	4.3
199.09164	1.0
201.05435	3.4
201.09062	10.8
203.03471	1.5
203.07011	4.7
204.04205	1.6
205.04910	5.4
205.06926	1.0
205.08493	4.7
207.06433	2.3
209.07977	3.9
211.02362	6.8
211.07523	1.4
213.05478	0.9
214.06236	4.0
215.07036	10.0
215.10559	1.7
217.05136	1.1
217.06601	1.1
217.08577	18.8
218.05653	1.7
218.09264	1.7
219.06541	6.9
219.10078	6.1
219.13692	1.0
221.04388	1.1
221.07944	0.9
223.09579	1.5
225.07547	2.6
229.08589	9.7
230.09129	0.9
231.06468	5.7
233.08054	7.1
233.11653	9.0
235.09598	1.3
236.06805	1.6
237.07544	6.2
243.10104	2.9
246.08839	3.0
247.09584	7.1
248.10320	2.9
249.07553	10.2
251.09128	3.8
251.12761	8.8
261.07596	4.2
261.11176	16.4
261.13965	0.8
261.25528	1.3
264.09863	1.2
279.08817	9.3
279.12222	100.0
279.23248	1.6
279.26706	3.1
280.12454	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	279.1226
Annotation	11,13-dihydrolactucin
Peak:m/z	Relative Intensity
51.39862	1.3
53.03935	1.8
55.01862	1.6
55.05499	3.5
57.07064	13.9
59.05001	1.2
59.79502	1.2
65.03937	4.3
67.05511	7.4
68.28889	1.3
68.99781	3.7
69.03419	12.0
69.07062	3.3
69.33888	9.5
70.06593	2.1
70.19828	1.1
71.04994	1.7
79.05483	18.2
79.42109	1.2
81.07051	10.5
82.04187	5.4
83.04971	5.3
83.08616	2.0
83.82835	1.4
85.02888	3.4
91.05485	10.9
93.03388	1.4
93.07015	4.4
95.04955	5.8
95.08591	7.0
97.06524	3.8
98.97583	2.6
103.05449	2.3
105.07017	15.2
107.04948	28.3
107.08575	2.3
109.02859	2.5
109.06526	6.3
109.10139	4.5
110.03658	14.6
111.04419	3.1
115.05472	6.1
117.07033	7.1
119.04941	10.2
119.08574	5.0
121.02878	8.0
121.06519	1.9
121.10153	2.1
123.04433	4.8
123.08084	3.1
123.11679	1.9
125.05972	5.7
128.06224	5.5
129.06981	4.7
130.07755	6.7
131.04919	5.2
131.08563	6.0
132.05721	1.5
133.02773	1.7
133.06474	2.1
133.10117	3.4
135.04384	3.0
135.08099	2.7
139.03888	4.0
141.05383	1.4
141.06966	1.8
142.07762	2.9
143.08546	5.1
144.05702	3.5
145.06427	7.9
145.10104	15.8
147.04323	1.5
147.08044	3.0
149.02328	100.0
151.07466	1.4
153.05458	27.1
153.06796	2.8
155.07080	3.4
155.08548	8.3
156.04015	1.6
157.10077	1.5
158.07234	5.6
159.04414	3.0
159.08032	8.1
160.05173	3.0
161.06000	4.3
161.09641	2.1
163.03946	1.5
163.07628	1.4
167.03418	2.3
171.08060	3.1
173.05925	6.2
173.09598	27.4
175.07597	2.5
175.11234	1.4
177.05412	3.0
179.03413	2.6
179.07047	1.2
181.04922	11.4
183.08038	3.7
185.05978	2.4
186.06793	2.4
187.07530	10.3
187.11125	2.2
189.05389	2.4
189.09103	2.1
191.07014	1.9
193.04968	2.1
199.07549	3.1
201.09085	30.6
202.09869	7.2
203.07034	3.6
205.04889	1.6
205.08627	2.3
205.12183	1.5
211.05875	1.7
211.07654	2.6
214.06151	1.5
215.07092	3.0
215.10765	2.0
219.06406	1.8
219.10156	2.3
229.08574	45.1
230.09317	6.1
231.06583	3.4
232.06938	1.3
233.11687	15.7
245.08145	1.8
246.08923	3.4
247.09669	2.0
249.11244	2.1
261.11197	64.2
279.09253	2.2
279.12289	35.5
279.23068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1225
Annotation	Populene G
Peak:m/z	Relative Intensity
52.20950	0.4
53.03934	1.4
55.01862	1.9
55.05500	1.1
56.18461	0.5
56.91639	0.4
57.03416	0.4
57.07059	2.0
64.23438	0.4
65.03918	0.9
67.05499	2.5
68.99794	0.9
69.03423	1.3
71.04967	0.5
71.77834	0.5
74.72795	0.5
78.04695	0.6
79.05494	4.1
81.03413	2.2
81.07050	2.8
83.04952	0.7
87.58079	0.5
91.05475	5.3
93.03410	0.7
93.07029	2.0
95.04946	1.5
95.08603	0.7
97.02859	0.7
98.21483	0.9
99.04432	0.8
103.05458	1.9
105.07026	5.4
107.04961	2.9
107.08595	0.8
109.02888	2.7
109.06519	2.2
111.04404	1.0
115.05453	2.6
116.06182	1.0
117.07014	3.8
119.04932	5.1
119.08550	1.4
121.02826	2.3
121.06486	2.5
123.04391	0.7
123.08043	0.6
125.02319	0.8
125.05933	0.7
127.03858	0.7
128.06206	4.2
129.07004	4.5
130.07756	1.9
131.04935	2.3
131.08553	3.6
132.05736	0.7
133.02907	0.6
133.06456	1.7
133.10135	0.9
135.04407	2.1
135.08058	2.2
137.05978	0.9
139.03860	1.2
141.05409	0.5
141.06958	1.6
142.07739	1.4
143.08553	4.2
144.05704	1.9
145.06476	6.2
145.10095	4.0
145.65639	0.6
147.04396	11.5
147.08044	2.7
149.02321	11.8
149.05969	2.5
149.09621	0.7
151.07445	0.7
153.05449	2.4
153.06966	1.4
154.07750	0.7
155.06007	1.0
155.08521	6.5
157.06476	1.7
157.10091	0.9
158.07285	3.6
159.04466	2.4
159.08060	4.1
161.05969	3.5
161.09622	2.6
163.03883	3.7
163.07536	1.7
164.04607	0.7
165.05511	3.5
165.06808	0.8
167.03409	0.6
168.05731	0.7
169.06462	0.9
171.08008	3.3
172.08841	1.1
173.02316	0.7
173.05988	2.3
173.09612	10.1
174.06750	0.8
175.03894	5.3
175.07515	3.3
176.04662	1.8
177.05446	4.4
177.09082	1.3
178.06207	2.8
179.06976	1.9
181.04924	2.6
183.06630	0.9
183.08063	3.6
184.05168	0.9
185.04425	1.3
185.05968	2.0
186.06740	2.1
187.03923	5.0
187.05446	0.7
187.05974	0.6
187.07486	3.9
188.04572	0.7
188.08095	0.7
189.05487	3.5
189.09099	6.5
190.06276	0.9
190.09843	0.5
191.03340	0.9
191.06982	5.5
191.10602	1.0
192.04156	0.8
192.07663	0.7
193.04970	1.7
193.08580	1.1
195.06425	0.9
196.07286	1.5
199.07507	5.6
200.04842	0.7
200.08185	0.7
201.05457	3.2
201.09087	10.4
202.06166	1.2
202.09930	0.6
203.03325	1.9
203.07033	3.9
203.10606	0.6
204.04156	0.8
204.07712	0.7
205.04953	5.2
205.08545	2.1
205.12158	1.0
206.05583	0.7
207.06479	2.4
207.10153	1.4
209.08061	3.3
211.07579	2.3
212.08360	0.8
214.06204	3.5
215.07033	2.4
215.10571	0.6
216.07718	1.0
217.05222	1.0
217.08566	19.7
218.05731	1.9
218.09239	1.9
219.06496	5.5
219.10075	6.0
220.07271	1.3
221.04254	0.5
221.08167	0.6
225.07483	3.0
228.07768	1.4
229.08586	9.5
230.09317	0.8
231.06526	6.9
231.10112	0.8
233.08086	6.2
233.11679	8.5
235.06171	0.7
235.09615	1.8
236.06656	2.7
237.07550	5.3
243.10153	2.5
246.08875	2.2
247.09612	9.1
248.10216	4.6
249.07576	12.5
250.08186	0.6
251.09085	3.9
251.12766	8.8
261.11200	15.6
264.09665	1.9
279.12241	100.0
280.12549	3.0
299.89731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1226
Annotation	Populene G
Peak:m/z	Relative Intensity
53.03929	1.5
53.24561	1.0
55.01849	2.2
55.05493	3.2
57.07065	11.4
59.37743	0.9
62.16675	1.0
65.03929	2.0
67.05489	5.5
67.56383	0.9
69.03410	4.2
69.07068	1.3
70.00478	5.0
70.06593	1.4
79.05491	6.5
81.03405	4.3
81.07050	6.3
83.04943	1.5
85.02906	2.7
91.05463	7.2
93.03373	1.5
93.07021	2.5
93.88991	1.0
95.04982	4.6
95.05487	0.9
95.08592	3.2
97.02865	1.6
97.06514	1.1
98.21473	1.1
98.97541	1.4
103.05455	2.4
105.07014	7.9
107.04937	4.8
107.08572	2.9
109.02840	4.2
109.06518	3.2
109.10144	2.0
110.97570	1.1
111.04436	1.4
113.33455	1.1
115.05447	4.1
116.98680	1.5
117.06969	5.9
119.04907	4.9
119.08543	3.8
120.08054	1.2
121.02851	6.1
121.06541	2.5
125.06002	1.2
128.06175	3.2
129.07034	4.8
131.04929	2.9
131.08549	5.4
133.02802	1.2
133.06453	2.4
133.10129	1.6
135.04404	3.8
135.08026	2.9
137.02368	1.4
137.05951	3.6
139.03830	1.2
141.06906	1.5
142.07799	1.2
143.08511	3.7
144.05721	2.3
145.06490	6.5
145.10081	5.1
146.99667	1.1
147.04395	9.9
147.08008	2.9
149.02325	85.6
149.05956	3.1
149.09561	1.3
151.03902	5.0
151.07509	1.9
153.05539	1.3
153.06944	2.1
155.08519	6.0
158.07262	3.8
159.04390	1.8
159.08095	6.2
161.05968	3.2
161.09564	2.5
163.03908	5.0
163.07616	1.9
165.01823	7.1
165.05533	6.4
165.06700	1.1
167.03394	5.4
169.06461	1.0
170.16014	1.0
171.08008	4.2
173.05969	3.0
173.09583	10.3
174.06685	1.5
175.03877	3.8
175.07538	3.7
176.04729	1.2
177.00665	1.8
177.05440	5.7
177.09082	3.9
178.06207	2.7
179.03435	2.2
179.07066	1.3
181.04930	4.1
183.08047	3.5
186.06784	1.6
187.03903	3.2
187.07558	4.6
187.11110	1.1
189.05460	3.9
189.09059	5.1
191.03336	9.1
191.07008	6.2
191.10606	1.7
193.04955	5.7
195.06331	1.0
196.07309	1.4
199.07521	4.7
201.05432	4.2
201.09081	9.7
203.03389	2.1
203.07024	3.9
205.04979	4.6
205.06804	1.1
205.08540	5.1
207.06516	3.0
207.10133	2.0
209.08067	4.0
211.02307	3.1
211.07471	2.1
213.05530	1.5
214.06233	2.8
215.07072	5.6
215.10680	1.0
217.05223	1.2
217.08572	18.7
218.05635	1.8
218.09198	1.6
219.06488	6.4
219.09996	8.2
220.07153	1.3
225.07559	2.9
229.08575	10.4
230.09181	1.3
231.06517	5.9
232.07320	1.8
233.04471	2.1
233.08069	17.7
233.11671	8.5
235.09523	1.8
236.06799	2.0
237.07541	4.7
243.10201	2.2
246.08844	2.4
247.09583	11.4
248.10239	4.6
249.07573	11.9
251.09007	9.6
251.12764	9.1
261.07651	2.8
261.11212	17.0
264.09741	1.5
279.09125	3.5
279.12250	100.0
280.12552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
55.05492	0.8
57.07084	2.8
65.03925	1.1
67.05485	2.4
69.17369	3.0
69.17797	2.4
71.04971	1.9
71.45248	0.5
81.07035	1.1
85.06562	0.9
86.09709	2.5
91.05454	1.8
93.07029	0.9
93.43957	0.4
95.08565	0.8
98.97589	1.2
99.08044	0.5
103.05439	1.0
105.07022	0.9
107.01308	2.0
107.04943	0.5
109.02831	0.5
115.05491	0.7
116.98587	0.8
120.08091	20.1
121.02858	1.5
129.06944	0.5
131.08557	0.7
132.10199	0.8
133.02826	2.0
134.03633	1.0
134.99731	0.7
135.00758	10.8
141.06990	0.6
145.02840	0.6
145.06447	0.6
147.07901	0.6
149.02321	20.7
159.08029	1.2
161.02327	4.8
162.03108	6.3
163.03905	2.3
167.03395	1.1
169.38814	0.5
177.01834	1.1
177.05478	0.8
178.67758	0.4
187.07466	0.8
189.01869	2.2
190.02573	0.7
191.03419	1.9
195.02882	1.4
197.05876	0.5
200.04677	0.6
207.02863	27.1
215.06976	1.0
217.08577	0.5
243.06474	0.8
261.07553	5.6
279.08600	100.0
279.16919	1.6
280.08957	1.8
289.64032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1223
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
53.03934	3.2
55.01841	1.4
55.05493	4.7
55.44567	1.2
56.96559	1.6
57.07067	14.7
58.65878	1.1
58.69711	1.0
65.03922	2.0
67.05494	7.2
69.03423	2.5
69.07034	1.9
74.79691	1.0
76.21213	1.3
79.05481	10.2
80.25167	1.1
81.03403	3.9
81.07050	8.8
82.04218	1.2
83.04967	6.4
85.10167	1.2
88.14928	1.2
91.05450	8.7
93.03384	2.1
93.07012	5.8
95.04967	3.4
95.08595	5.6
97.06522	2.7
98.21561	2.2
98.97564	2.2
103.05462	1.8
103.72353	1.3
105.03448	1.4
105.07024	11.1
107.04935	8.8
107.08513	1.4
109.02872	3.0
109.06490	4.8
109.10151	2.6
111.04420	3.3
115.05443	3.6
116.98618	1.5
117.06986	9.2
119.04932	6.1
119.08534	3.5
121.02853	7.3
121.06470	3.0
121.10114	3.4
121.49352	1.2
123.04436	2.8
128.06212	4.8
129.05470	2.4
129.06985	5.7
130.07765	6.0
131.04893	2.7
131.08569	4.8
133.06508	1.7
133.10118	2.2
134.99644	1.6
135.04414	3.1
135.08028	1.7
135.11697	2.4
136.73405	1.0
137.05984	1.7
141.06964	3.3
142.07784	6.6
143.08580	6.1
144.05725	3.1
144.79106	1.2
145.06444	6.9
145.10083	16.3
147.04337	1.7
147.08034	1.5
147.11742	1.5
147.55804	1.4
149.02325	100.0
153.05466	3.4
153.06898	2.7
155.03290	1.3
155.08502	6.8
157.10175	2.3
158.07240	6.6
159.04434	2.1
159.08029	6.8
160.05193	2.2
161.05968	4.0
161.09628	2.8
163.03946	1.5
163.07521	3.7
167.03401	2.9
171.08023	2.5
173.05963	3.4
173.09592	21.4
175.07567	3.0
177.00604	1.6
177.05493	3.8
178.06204	3.2
179.03360	3.5
181.04959	1.6
183.08044	3.9
185.05917	1.3
185.09557	1.6
186.06732	2.7
187.07524	8.9
189.05334	2.0
189.09096	4.4
191.07074	3.3
191.10591	11.5
199.07510	1.8
201.09079	20.1
201.10768	2.2
202.09741	3.6
204.07751	2.8
205.08418	1.5
205.12097	1.7
211.05975	3.0
215.07031	2.0
217.08572	19.7
219.05716	5.3
219.10136	48.8
219.12282	2.5
220.10680	1.8
229.08595	17.9
230.09335	6.2
231.06538	1.6
232.07393	1.7
233.11717	4.4
246.08707	2.0
247.09634	40.0
249.62767	1.2
261.11212	9.2
279.09338	8.1
279.12277	16.0
279.15848	3.6
279.23163	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
56.96301	0.9
56.96561	13.9
57.03452	0.8
57.07042	0.6
67.05470	0.8
69.03421	1.3
69.07078	0.7
70.06583	1.1
70.26016	0.6
70.26347	2.5
70.98094	1.0
71.95271	1.3
74.02432	2.7
75.02677	0.9
84.04529	0.7
84.08127	0.6
84.96008	1.3
85.02886	2.1
86.09698	3.6
91.05452	0.6
97.02895	2.0
98.97576	100.0
107.04906	0.8
110.97562	21.0
112.99143	0.9
116.98609	58.8
119.01888	0.8
121.01675	1.7
128.98598	30.4
130.05023	1.0
131.00130	1.3
134.99649	21.9
140.00192	1.3
143.00111	0.9
145.01694	1.2
146.99640	16.5
149.02310	6.9
152.00139	0.9
153.00731	2.8
158.01335	1.1
158.99646	27.9
161.01172	1.3
163.02736	2.0
165.00787	3.0
166.05362	4.0
170.99632	9.2
177.00700	51.5
184.00414	0.9
184.55029	0.7
187.02631	0.8
189.00690	22.7
192.03284	0.8
195.01764	6.5
200.02350	2.0
201.00690	1.5
207.01752	12.2
210.04411	0.6
212.02240	0.7
215.13971	0.8
219.01738	4.6
225.02791	1.0
237.02827	7.0
238.03967	1.2
247.04921	1.3
249.02930	0.6
251.04277	0.7
255.03891	5.2
256.05002	3.3
259.71121	0.7
278.97064	0.7
279.03870	4.9
279.13907	0.9
296.97903	1.2
297.04886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0861
Annotation	Coumarleucasin
Peak:m/z	Relative Intensity
50.55070	0.4
51.26596	0.3
55.05500	0.6
56.80876	0.4
57.07077	2.6
60.37833	0.4
65.03931	0.5
67.05482	1.6
69.07066	0.5
70.06590	0.5
70.87775	0.7
71.04984	1.0
79.05463	0.8
81.03376	0.5
81.07040	0.7
81.66567	0.4
85.06491	0.6
86.09690	1.6
86.43101	0.4
91.05460	1.3
93.07054	0.5
98.97578	0.6
99.08038	0.6
103.05444	1.2
105.03355	0.9
105.06985	0.9
107.01311	1.4
107.04942	1.0
115.05470	0.5
117.06997	0.7
119.04881	0.5
119.08544	0.6
120.07256	0.9
120.08097	18.7
121.02881	1.1
131.08577	1.0
132.10164	0.5
133.02815	1.5
134.03606	1.0
135.00768	9.9
135.04362	0.5
141.06999	0.5
145.06517	0.7
149.02330	21.3
159.08029	0.9
161.02335	4.6
162.03136	6.1
163.03905	1.7
167.03323	0.8
177.01866	1.0
179.03352	0.5
187.07555	1.2
189.01830	2.3
190.02588	0.5
191.03354	1.6
195.02866	1.4
200.04652	0.8
205.04881	0.5
207.02882	24.2
208.03268	0.6
215.07072	1.0
219.02953	0.6
233.07924	0.5
243.06410	0.6
247.14462	0.8
249.34459	0.4
261.07501	4.2
279.08612	100.0
279.16934	1.7
280.08975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	7.7
60.57476	1.0
63.55570	1.0
69.44817	8.4
71.11243	0.9
80.83798	0.9
84.08152	1.1
98.97575	100.0
110.97565	9.7
116.98615	70.2
119.09724	1.0
122.30132	1.2
126.88692	0.9
128.98601	18.9
134.99641	33.8
136.94016	2.0
140.00201	1.5
143.00165	2.3
146.99652	12.3
149.02263	1.1
153.00716	5.7
153.99200	1.0
158.01237	2.0
158.25696	0.9
158.99655	33.8
161.01190	2.6
161.02872	0.9
165.00751	2.0
170.99681	5.6
177.00702	79.1
189.00706	14.4
195.01758	12.0
200.02275	4.2
207.01773	12.8
219.01741	8.6
221.01892	1.4
237.02785	10.7
255.03868	6.4
276.89505	1.1
279.04303	5.6
297.04965	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21121	1.0
56.96555	7.5
57.49001	1.1
58.05518	1.2
60.35966	1.0
62.55495	1.0
66.31084	1.4
71.37772	1.6
98.97576	100.0
104.10699	1.4
110.97566	14.6
116.98615	60.9
128.97679	2.1
128.98586	20.5
134.99641	23.8
140.00282	1.6
146.99655	14.6
149.02246	1.7
153.00702	1.9
158.99651	33.2
165.00626	2.3
170.99612	7.4
177.00708	83.2
189.00691	23.8
195.01750	7.2
200.02290	4.1
207.01758	13.1
212.02240	1.9
219.01768	9.6
221.01703	1.9
237.02785	8.0
249.02812	1.4
255.03854	3.4
278.04645	1.3
279.04367	6.9
297.04984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04993	3.1
57.07064	6.8
69.57755	21.3
70.06561	5.6
74.02419	8.6
80.05030	3.5
82.02915	5.3
84.04484	7.2
85.04849	3.6
91.05442	3.8
93.06924	2.9
94.06518	3.6
98.97538	4.4
103.66369	2.6
106.06559	6.3
115.05411	3.4
116.98579	4.0
118.06527	13.6
120.08078	8.6
120.29516	3.3
121.07613	4.5
121.08414	4.7
122.06026	3.7
124.62558	2.9
126.05478	3.1
128.98517	3.1
130.06503	19.4
131.07243	4.6
132.04408	6.6
132.06877	4.6
132.08049	9.9
133.05200	4.9
133.07608	9.2
134.05974	3.8
134.99699	3.8
135.09256	3.9
142.06485	8.2
143.07286	4.5
144.08037	12.6
145.07596	13.3
146.05991	62.9
147.05502	10.6
147.06580	4.7
148.03909	5.1
148.60826	3.0
149.02344	39.3
149.07069	3.9
156.06845	4.1
157.05241	5.6
157.07567	7.6
158.05991	11.2
159.06749	5.2
159.09154	22.5
160.07581	18.9
161.07071	14.6
162.05478	11.8
163.08601	3.7
164.07106	5.8
169.07614	34.7
170.05991	16.0
171.05539	21.4
171.09163	7.3
172.07524	6.2
173.07112	43.5
174.05473	9.3
174.07845	10.7
175.08632	6.5
177.00705	4.1
185.07124	4.6
186.10233	10.1
187.08664	40.1
188.07030	11.8
189.00771	3.6
189.06566	25.7
191.08134	8.0
196.08733	4.5
197.07077	39.6
198.05571	6.2
199.08618	5.9
201.06590	20.7
202.04930	5.6
203.08145	6.9
204.06450	6.9
205.09685	13.3
214.09744	50.1
215.08156	34.1
216.06537	9.0
217.09717	7.0
219.07660	30.0
219.55186	3.1
220.06230	3.9
220.08385	7.2
232.10805	81.9
233.09210	12.4
243.07620	20.5
260.10281	37.6
261.08691	44.2
262.06924	4.0
278.11337	100.0
278.14307	7.3
278.18179	9.9
278.77444	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	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
54.17910	0.7
55.01851	1.9
55.05502	7.0
57.03408	0.9
57.07067	46.2
67.05495	12.3
69.07059	5.5
69.47610	5.8
71.08606	2.6
79.05480	18.5
81.03419	0.8
81.07043	16.7
83.04977	1.6
83.08621	3.7
91.05469	11.0
93.07033	29.1
95.04959	3.2
95.08599	14.1
95.97733	0.6
97.06514	0.8
97.10131	1.6
99.08075	2.1
105.07017	9.2
107.04887	0.8
107.07880	1.0
107.08577	16.2
109.06486	2.0
109.10149	6.1
111.08047	0.8
117.06954	1.5
119.08566	6.1
121.06493	1.4
121.10127	12.3
123.04414	2.2
123.08051	1.5
123.11712	0.9
125.09641	0.9
129.06955	1.7
131.08537	3.0
133.10097	6.0
135.07982	2.3
135.10696	1.3
135.11673	13.8
137.09587	0.8
139.07520	0.8
143.08549	2.1
145.10085	2.1
147.08011	2.5
147.11691	3.9
149.09525	1.4
149.13254	6.3
151.11148	1.6
157.10094	2.3
159.11685	2.5
161.09596	3.9
161.13240	3.1
163.07491	1.2
163.11154	2.9
163.14781	1.6
165.12732	0.8
167.10709	0.8
171.11682	1.3
173.13162	1.1
175.11145	1.8
175.26199	0.6
177.12746	1.6
179.10657	26.1
179.14258	2.1
185.13249	1.0
189.12717	2.1
195.13792	1.0
213.49998	0.8
217.15839	7.5
219.13800	3.8
221.15385	1.1
229.71121	0.7
231.21014	0.8
235.16896	100.0
236.17227	2.3
241.19449	0.9
247.05870	1.1
259.20450	1.6
277.10812	2.0
277.17950	90.4
277.21533	28.1
278.18335	2.3
294.24432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.05995	1.8
53.03927	4.2
53.84470	1.6
54.75386	1.7
55.01854	2.8
55.05282	1.8
55.05508	22.7
57.03427	10.1
57.07052	3.1
59.37584	1.4
62.32345	1.5
65.03904	2.0
67.05499	37.2
69.07066	16.1
70.03445	8.6
71.04960	2.9
77.03910	2.1
79.05487	73.3
81.06596	2.9
81.07049	46.5
83.08610	11.9
85.06528	3.7
91.05474	30.5
93.07033	100.0
95.04929	5.2
95.08603	34.9
97.06499	3.6
97.10175	4.2
99.08059	2.2
103.60143	2.2
105.04436	1.6
105.07021	22.5
107.08589	55.3
108.04227	1.8
109.06494	3.0
109.10139	14.4
111.08147	2.3
117.06970	5.8
119.08577	16.5
121.10130	50.2
123.07222	1.9
123.08057	4.0
123.11700	3.2
129.06990	1.7
131.08554	8.1
133.10115	17.6
135.11681	50.1
137.09607	3.7
138.00836	2.0
143.08517	3.5
145.10080	6.1
147.11702	10.2
149.09575	2.8
149.13252	23.7
159.11632	5.4
161.09651	3.1
161.13220	6.8
161.87727	1.9
163.14792	6.1
165.12683	2.3
171.11710	3.4
173.13300	4.6
175.11125	2.0
175.14853	1.8
185.13206	3.9
187.14746	6.3
187.87373	1.7
195.13707	1.9
199.14847	2.3
205.15886	5.3
217.15849	3.6
221.15379	2.3
235.16908	4.1
241.19508	3.7
259.20575	8.7
277.10605	1.9
277.18137	7.0
277.21594	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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.44957	2.6
53.03939	27.4
53.11396	2.8
55.01852	11.2
55.05506	37.2
57.07068	21.5
62.34275	3.4
65.03924	6.7
67.05499	82.9
68.33120	2.5
69.03374	3.2
69.07059	48.7
69.95237	16.4
71.04963	5.2
71.08629	13.1
77.25302	2.6
79.04461	2.5
79.05484	79.0
81.03414	77.5
81.07045	78.5
83.04969	20.7
83.08611	13.1
85.06532	4.3
85.10168	2.5
88.07171	2.5
91.05474	46.0
93.07034	88.6
95.04954	54.8
95.08592	31.9
97.06516	6.4
97.10133	7.6
98.20839	3.3
99.08059	12.5
105.07008	37.0
107.04940	4.9
107.08579	42.7
109.06510	13.6
109.10161	19.5
111.08059	4.3
113.86818	2.8
117.07000	10.1
119.08565	23.1
121.06460	3.8
121.10118	20.7
123.08031	5.3
123.11681	9.6
125.09588	6.0
129.06961	8.7
131.08548	11.0
133.10129	27.5
135.08049	4.5
135.11649	16.8
143.08543	4.3
145.10114	4.9
147.11668	22.7
149.09631	6.7
149.13266	14.2
151.11160	50.3
153.09177	5.1
157.10129	5.0
159.11713	3.5
161.13266	15.3
163.11133	4.2
163.14772	8.1
165.12778	15.0
171.11670	6.3
173.13225	3.4
175.14815	7.6
177.12782	3.9
179.10675	10.5
179.14281	11.4
185.13237	3.7
189.12682	6.0
193.12343	3.5
199.14732	3.5
207.13702	5.0
217.15988	4.8
217.19655	4.3
231.21077	15.5
235.16896	38.5
241.19547	8.2
249.22054	6.5
259.20499	8.9
277.17981	29.7
277.21576	100.0
292.22375	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	277.2157
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03922	6.0
55.05503	15.8
57.07054	2.1
65.03929	1.9
67.05495	36.0
69.07069	12.8
69.26089	15.0
69.26480	3.0
72.82017	1.4
72.82407	1.7
73.25087	1.4
75.33395	1.6
79.05486	67.7
79.46669	1.5
81.06594	2.2
81.07050	42.9
82.34811	1.6
83.04947	2.2
83.08588	6.9
85.06542	2.5
91.05466	27.2
93.07034	100.0
95.04948	6.2
95.08598	27.8
97.06487	3.1
97.10142	4.6
105.04477	1.9
105.07014	14.9
107.07883	3.1
107.08581	54.2
107.09302	3.0
109.06475	2.0
109.10155	11.7
111.08033	1.5
112.39602	1.7
117.06984	4.1
119.08567	11.7
121.10134	50.4
123.11701	3.3
129.07059	1.8
131.08556	5.2
133.10127	13.5
135.11673	59.8
136.63200	1.8
145.10133	3.9
147.11684	8.3
149.13243	27.7
157.10060	2.0
159.11600	3.8
161.13266	6.7
162.23485	1.8
163.11252	2.2
163.14807	6.1
171.11673	2.1
173.13266	2.1
175.11212	2.2
175.14905	1.9
177.12776	1.6
181.12288	2.2
185.13181	2.8
195.13852	3.0
199.14735	1.8
220.76404	1.5
221.15335	4.9
235.16902	4.6
241.19603	1.7
259.20493	4.1
277.21600	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02373	1.5
53.03919	4.4
55.05267	1.8
55.05502	18.9
56.80711	1.2
57.03428	1.3
57.07048	4.2
65.03929	2.5
67.05492	30.6
69.03410	3.5
69.07061	19.5
69.99252	2.4
69.99668	5.3
71.04966	1.9
71.08620	1.2
74.29718	1.3
77.03934	1.7
79.05479	67.7
81.06596	2.1
81.07043	35.5
81.07521	1.7
83.04956	3.0
83.08617	7.9
86.13467	1.2
91.05459	32.3
93.07031	100.0
93.86737	1.3
95.04945	5.1
95.08589	24.4
97.06515	3.6
97.10146	3.7
103.75504	1.3
105.04496	1.4
105.07013	29.7
105.49455	1.4
107.08572	55.2
109.06512	7.4
109.10140	13.6
111.08055	2.7
117.07017	6.5
119.08559	26.6
121.06477	2.9
121.10127	50.1
123.08044	3.9
123.11690	3.0
125.09609	3.5
128.06180	5.2
129.06973	8.0
130.07730	1.7
131.08606	6.4
133.06444	1.5
133.10106	25.7
135.08006	4.1
135.11665	42.7
137.09573	3.0
142.07750	4.6
143.08527	17.0
145.06453	1.4
145.10097	20.8
147.08023	13.1
147.11676	15.5
148.08801	7.1
149.09608	2.9
149.13226	23.8
157.10115	11.4
158.10777	1.4
159.11685	7.5
160.08974	1.6
161.09572	31.2
161.13206	18.2
162.10165	1.6
163.11157	79.3
163.14760	7.0
164.11479	2.2
171.11667	5.6
173.13287	10.9
174.10333	2.9
175.11174	16.9
175.14835	6.9
181.12309	1.4
185.13220	1.4
189.12689	12.0
189.16335	8.3
193.12204	1.8
195.13783	2.6
199.14734	6.5
217.15842	74.4
218.16252	3.1
221.15257	3.2
235.16898	56.0
241.19524	2.4
244.57129	1.3
259.20511	4.4
277.17935	82.6
277.21536	60.0
278.18268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02373	1.4
51.92498	1.4
53.03930	5.4
55.05505	22.0
57.07059	4.2
65.03937	2.3
67.05499	32.7
69.07065	13.8
71.04980	2.6
79.05486	77.4
79.14930	1.2
81.07050	45.1
83.04971	1.7
83.08612	7.3
85.06531	1.9
91.05472	28.6
93.07033	100.0
95.04978	8.4
95.08593	31.0
97.06513	2.3
97.10159	4.9
105.07020	18.9
107.08582	59.0
109.06524	6.1
109.10144	13.9
111.08066	2.2
117.06999	3.9
119.08553	14.1
121.06490	2.1
121.10132	43.3
123.08031	6.8
123.11668	2.9
126.08722	1.3
128.06213	1.2
129.07022	2.9
131.08554	6.2
133.06464	1.5
133.10123	17.5
135.08017	3.4
135.11674	42.9
137.09613	1.8
142.07753	1.4
143.08542	4.4
145.10100	8.5
147.08092	3.0
147.11661	11.6
149.09586	2.6
149.13251	17.4
157.10118	9.1
159.11703	4.1
161.09659	6.8
161.13239	5.5
163.11131	4.0
163.14784	5.4
169.10158	1.5
171.11714	2.2
173.13249	2.7
175.11183	4.2
175.14766	3.3
177.12724	1.8
185.13234	2.2
189.12746	5.4
189.16432	2.8
191.10367	1.2
199.14790	8.5
217.15811	12.1
221.15387	3.4
235.16878	7.8
241.19406	1.4
259.20593	3.8
277.17999	19.7
277.21582	51.0
294.13129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.40007	1.1
53.03934	5.3
55.01860	2.7
55.05504	20.8
57.07063	4.9
62.79768	1.1
63.25475	1.2
65.03918	1.6
67.05501	35.3
69.03417	3.5
69.07063	17.1
69.92986	6.6
71.04992	1.3
77.03898	1.4
79.05485	74.5
81.07047	44.1
83.04995	2.8
83.08616	7.9
85.06533	2.1
89.02251	1.2
91.05469	32.8
93.07035	100.0
95.04950	8.8
95.08595	34.9
97.06513	4.7
97.10161	4.9
103.05489	1.2
105.04524	2.3
105.07016	32.1
107.04929	5.1
107.08584	56.0
107.09314	2.7
109.06525	8.1
109.10140	20.4
111.08067	5.3
117.06995	3.9
119.08572	22.6
121.06477	9.3
121.10131	49.6
123.08077	7.7
123.11706	4.1
125.09600	1.9
128.06204	2.4
129.07008	3.6
131.08540	6.4
133.06502	2.4
133.10117	24.1
135.08052	6.1
135.11678	46.4
137.09618	3.4
137.13184	1.2
142.07748	2.8
143.08559	10.4
145.10135	6.3
146.07210	2.0
147.08020	12.0
147.11679	12.8
149.09601	4.5
149.13245	20.7
156.09280	1.7
157.10118	12.9
159.11681	7.1
160.08870	1.4
161.09599	19.4
161.13235	9.3
161.14549	1.4
163.11179	3.7
163.14781	5.8
165.12769	1.9
171.11679	6.1
171.17709	1.2
173.13225	2.9
175.11188	12.5
175.14850	3.2
177.12726	1.5
185.13219	2.0
189.12708	9.0
189.16287	5.6
199.14790	10.9
201.78043	1.2
207.13792	1.8
213.16353	1.5
217.15863	37.1
217.19273	1.4
221.15370	1.9
235.16853	8.4
241.19487	2.0
259.20541	4.5
272.99164	1.1
277.10794	1.4
277.14920	1.9
277.17996	42.6
277.21609	61.3
278.18301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03944	4.7
53.64364	3.2
54.52462	2.4
55.01857	3.7
55.05503	13.3
57.03409	4.8
57.07074	14.6
67.05498	26.6
69.03423	4.0
69.07046	17.3
69.93114	14.9
73.86108	2.6
79.05495	27.0
81.07046	37.1
83.08617	3.4
87.64346	3.1
91.05456	30.4
93.07030	44.3
95.04949	6.6
95.08600	29.2
97.06544	3.9
98.20828	4.0
98.97583	2.6
99.08065	3.6
105.07030	43.4
107.08582	31.7
109.06490	13.7
109.10141	32.3
111.08085	3.0
115.05391	6.6
117.06995	16.2
119.08564	41.8
119.16565	3.0
120.08065	3.6
121.06491	10.9
121.10133	21.4
122.10516	2.6
123.08054	9.3
123.11648	3.6
124.78675	2.7
128.06221	10.0
129.06981	11.7
129.79059	2.8
131.04976	2.8
131.08556	19.0
133.10118	22.1
135.08051	8.0
135.11688	12.4
137.05972	6.6
142.07785	22.3
143.08546	44.2
145.06467	4.9
145.10101	48.4
147.08046	11.2
147.11665	18.5
149.09576	4.6
149.13278	7.7
155.08510	3.8
156.09314	17.4
157.10126	76.9
159.11676	35.7
161.09602	22.6
161.13245	13.2
163.11157	24.1
169.10098	6.4
170.10861	5.6
171.11670	31.9
173.13203	15.8
175.11131	14.4
175.14778	7.1
179.10698	4.0
184.12427	5.7
187.14859	4.7
189.12726	18.5
189.16341	13.9
191.07033	4.4
199.14807	100.0
199.16617	6.5
200.15067	4.8
205.08551	5.9
217.15872	66.7
218.16251	4.5
219.06561	6.0
233.08093	4.9
235.16893	27.4
247.06024	4.4
259.20407	3.5
277.07950	2.5
277.10953	7.4
277.18018	68.1
277.21576	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03921	3.6
55.01858	1.7
55.05505	12.9
57.03428	1.5
57.07072	5.6
62.42342	1.2
65.03923	1.9
67.05496	29.1
69.03419	2.1
69.07063	11.8
70.58329	2.2
71.04980	2.9
71.08614	1.8
79.05485	32.4
81.06593	2.3
81.07048	36.5
83.04941	1.4
83.08607	5.8
85.06519	2.6
91.05463	27.1
93.07030	47.7
95.04964	5.2
95.08598	25.5
97.06524	3.9
99.71121	1.2
105.04432	1.7
105.07015	29.0
107.04903	1.1
107.08577	32.5
109.06496	9.1
109.10155	14.4
111.08083	6.8
113.05977	1.4
114.44559	1.0
117.07010	5.8
119.07711	1.5
119.08564	25.8
121.06467	4.0
121.10130	24.4
122.60200	1.0
123.08048	6.5
123.11688	5.1
128.06226	3.4
129.06993	6.6
131.08548	10.8
133.06456	1.8
133.10110	29.3
135.08047	13.5
135.11681	13.0
137.05939	1.3
137.09593	3.4
143.08539	12.2
145.10115	7.5
147.08058	9.1
147.11674	20.2
149.02318	8.3
149.09616	6.5
149.13263	9.6
153.09087	1.5
157.10095	8.6
159.11679	4.7
160.08850	3.6
161.09608	29.4
161.13258	8.1
162.10298	3.9
163.11151	2.4
163.14822	5.8
165.12813	1.1
171.11691	6.8
173.13220	3.6
175.11156	11.7
175.14798	7.3
177.12775	1.5
177.16296	1.5
179.10687	2.7
185.13251	3.1
187.14749	1.4
189.12730	22.3
189.16386	4.6
193.08551	1.7
193.12221	3.8
195.13864	1.4
199.14763	3.4
202.13440	1.3
207.13760	4.6
209.15060	1.3
217.15851	41.4
217.19308	10.0
218.16049	1.2
221.15286	3.5
231.17300	1.9
235.13300	1.9
235.16902	5.4
241.19455	5.4
259.20609	9.3
277.17960	100.0
277.21545	59.6
278.18243	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	277.1795
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03941	1.5
55.01867	1.4
55.05497	5.4
57.03426	1.4
57.07057	4.2
64.98972	1.3
65.03911	1.6
67.05489	7.9
69.03409	1.4
69.07053	5.5
71.04984	1.4
71.52215	1.6
71.52735	2.0
77.84111	1.2
79.05468	8.0
81.03404	1.3
81.07047	11.5
83.08611	2.3
85.06496	1.5
91.05454	11.1
93.07043	12.5
95.04942	3.4
95.08591	9.4
97.06528	2.8
103.05412	1.5
105.07029	15.3
107.04926	1.7
107.08585	11.5
109.06511	3.6
109.10136	4.9
111.08048	3.6
115.05411	1.5
117.07017	5.7
119.08568	22.1
121.06495	2.9
121.10110	6.5
123.08046	5.6
128.06192	2.1
129.06999	2.5
131.08548	12.5
133.06487	2.0
133.10097	13.4
135.08022	5.6
135.11679	3.7
137.05983	1.9
137.09627	2.7
140.10336	1.3
142.07709	1.5
143.08539	8.4
144.09352	1.7
145.06432	2.6
145.10091	9.1
147.08032	11.3
147.11676	7.2
148.08801	1.3
149.02324	2.2
149.09590	26.8
157.10080	7.4
158.10820	1.7
159.11685	10.0
161.09593	29.4
161.13193	2.9
162.10352	2.1
163.11171	23.1
170.10889	1.8
171.11646	3.1
173.13248	6.0
175.11220	8.9
175.14787	5.3
176.11722	1.5
179.10773	1.8
184.12343	1.6
187.14801	1.3
189.12761	5.5
189.16367	1.5
196.79958	1.3
199.14780	4.7
217.15833	34.1
218.16141	2.4
223.04790	1.3
231.06485	2.7
233.08226	2.6
234.06731	2.3
235.16899	11.2
247.06183	2.2
259.20425	1.5
277.06866	2.5
277.10272	4.4
277.17953	100.0
277.21249	5.1
278.18204	2.7
295.10648	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	277.1795
Annotation	Watsonol B
Peak:m/z	Relative Intensity
53.03929	2.6
55.01875	2.5
55.05508	10.8
56.96561	2.3
57.07064	7.7
67.05496	24.2
69.03432	2.3
69.07052	9.6
69.77483	11.6
73.45175	2.2
79.05491	27.1
81.03398	2.4
81.07047	79.3
83.08602	4.2
85.06538	3.1
86.06020	2.1
91.05481	19.9
93.07043	36.1
95.04955	6.8
95.08596	77.9
95.10313	2.0
97.06489	2.9
98.20840	3.5
100.77597	1.9
101.40903	2.0
105.07024	65.5
107.05001	3.2
107.08585	26.6
109.05798	4.1
109.06512	57.8
109.10152	37.4
111.08045	2.3
115.05437	3.6
117.07030	10.4
118.07723	2.2
119.08569	47.8
121.06519	19.7
121.10126	20.9
123.08060	65.5
125.09561	2.6
128.06178	6.9
129.06998	8.6
130.07762	2.7
131.08553	21.3
133.06493	9.0
133.10127	43.4
135.08057	14.5
135.11679	7.6
137.05962	6.9
137.09599	4.4
142.07788	16.7
143.08557	31.4
144.09291	5.1
145.06450	3.0
145.10115	87.0
146.07253	5.7
146.10471	2.9
147.08046	26.8
147.11674	32.5
149.02293	2.5
149.09619	9.0
149.13242	3.0
156.09421	3.3
157.10117	66.7
159.08107	2.5
159.11687	36.0
160.08720	2.4
161.09601	80.2
161.13264	8.4
162.10056	2.7
163.11160	3.2
168.91829	2.1
169.10130	5.6
170.10869	4.2
171.11687	12.4
173.13229	19.0
175.11186	30.9
175.14830	7.3
177.12746	2.1
184.12447	8.5
187.14787	3.2
189.12737	7.1
189.16374	21.5
192.13718	2.1
199.14799	100.0
213.66301	2.2
216.11375	2.6
217.15855	95.1
233.08093	2.7
234.06648	2.5
235.16890	11.9
247.06026	4.8
259.16962	3.9
259.20618	2.8
260.16312	3.4
277.11005	6.2
277.17981	79.8
277.21320	10.7
278.18341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1795
Annotation	Watsonol B
Peak:m/z	Relative Intensity
55.05495	5.2
64.00793	2.4
67.05491	10.8
69.07042	3.9
70.08124	4.3
70.08521	7.1
70.59334	2.4
79.05472	15.6
81.07052	36.6
91.05463	16.5
93.07025	16.8
93.45691	2.7
95.04984	3.5
95.08597	34.6
105.07008	23.2
107.08589	36.6
109.06516	17.9
109.10144	11.7
117.06980	7.8
119.08566	21.6
121.10114	7.9
128.06239	7.8
129.06967	13.6
131.08571	13.9
131.51096	2.6
133.10078	19.7
135.08003	4.0
135.11702	3.0
142.07692	5.8
143.08528	42.5
143.09564	3.7
145.10118	8.2
147.08087	6.7
147.11681	4.8
157.10098	23.9
159.11627	13.6
161.09613	41.0
162.10373	9.3
166.34572	3.0
171.11708	12.9
172.12410	3.4
175.11182	4.9
189.12746	11.1
189.16402	10.0
199.14760	27.8
217.15845	100.0
277.10736	4.2
277.17984	18.1
277.21255	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	277.1796
Annotation	Plagiochiline H
Peak:m/z	Relative Intensity
53.03915	0.5
55.01865	2.3
55.05511	3.5
67.05499	4.5
69.03411	1.9
69.07070	2.7
69.63961	3.5
71.05001	0.5
79.05150	0.4
79.05490	4.5
81.07044	9.9
83.04958	0.9
83.08612	0.5
91.05470	6.3
93.07034	8.6
95.04958	2.6
95.08601	8.1
97.06532	1.0
97.13600	0.5
97.56723	0.5
98.21480	1.0
103.05412	0.8
105.07018	17.1
105.77194	0.5
107.04949	4.5
107.08574	8.2
109.06509	5.5
109.10146	2.8
111.08086	1.0
113.41926	0.5
115.05412	0.6
117.07004	2.1
119.04927	0.5
119.08569	14.0
121.06484	5.6
121.10126	6.0
123.08067	3.2
128.06213	2.0
129.06967	1.7
130.07849	0.7
131.08542	4.3
133.06494	7.4
133.10118	12.0
135.08055	3.1
135.11676	1.6
137.09569	1.2
141.06944	0.7
142.07770	3.9
143.08540	5.0
144.09325	0.9
145.06494	0.6
145.10112	9.2
146.07256	2.3
147.08035	11.9
147.11679	10.8
149.09622	1.6
149.13229	1.1
156.09309	1.6
157.10118	10.4
159.08110	0.7
159.11678	6.9
160.08862	2.3
161.08307	1.0
161.09604	14.7
161.13234	4.6
161.40855	0.5
162.10335	1.3
163.11166	19.3
164.11589	0.6
169.10115	0.8
170.10844	0.6
171.11649	2.8
173.13234	3.0
174.10391	0.7
175.11172	28.1
175.14766	1.5
176.11563	0.6
177.12744	4.0
180.45314	0.5
184.12486	1.2
187.14729	0.7
189.12755	6.6
189.16321	4.1
199.14754	5.7
217.15860	13.9
235.13269	0.5
235.16910	5.2
277.17963	100.0
278.18298	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	277.1795
Annotation	Spirodysin
Peak:m/z	Relative Intensity
52.14624	1.1
53.03933	3.2
55.05505	10.1
56.37530	1.5
57.03426	1.5
57.07066	2.4
65.03928	2.2
67.05496	15.4
69.03417	3.2
69.07051	10.2
71.08612	1.2
75.91843	1.1
76.22346	1.2
79.05488	35.9
81.07046	22.1
83.04926	1.5
83.08616	4.6
91.05462	16.0
93.07032	50.2
95.04964	3.5
95.08600	15.9
97.06514	2.1
97.10171	2.0
105.07024	28.8
107.08583	34.3
109.06517	7.0
109.10134	9.0
111.08083	2.7
115.15334	1.2
117.07025	5.2
119.08569	27.5
119.09377	2.1
121.06482	3.6
121.10133	27.6
123.08075	4.0
123.11678	1.6
124.08904	1.1
125.09610	3.9
128.06218	4.5
129.06992	9.5
130.07784	1.5
131.08533	6.7
133.06485	1.4
133.10121	26.4
134.54114	1.5
135.08046	3.8
135.11673	24.4
137.08655	1.2
137.09616	3.3
142.07765	4.7
143.08546	23.0
145.10121	23.8
145.11177	2.2
147.08028	20.4
147.11664	13.4
148.08826	7.2
149.09642	1.5
149.13225	11.6
156.09300	1.6
157.10120	13.0
158.10809	1.9
159.08038	2.0
159.11690	8.0
160.08852	1.7
161.09601	41.5
161.13226	16.0
162.10043	1.3
163.11162	96.4
163.14844	2.9
164.11490	1.9
171.11668	4.5
173.09624	2.0
173.13229	16.5
174.10349	2.0
175.11172	17.3
175.14752	7.5
185.13280	2.6
189.12724	11.4
189.16348	12.4
195.13680	1.7
195.45544	1.2
199.14835	5.9
213.16447	1.6
217.15855	100.0
218.16191	4.1
221.15480	1.4
235.16901	67.5
236.17210	2.7
259.20648	2.6
277.17981	98.5
277.21564	26.8
278.18326	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	277.1794
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.62244	0.6
53.03927	1.1
55.01866	8.7
55.05503	6.4
57.03423	0.8
57.07061	1.4
67.05495	11.1
69.07056	5.9
70.06589	0.9
70.77709	2.0
71.08598	1.3
79.05026	0.6
79.05489	15.1
81.07049	41.9
83.04987	2.8
83.08602	2.7
85.06520	0.9
91.05467	6.2
92.05792	0.7
93.07036	13.8
95.04957	1.8
95.08605	8.9
97.06528	1.1
97.10146	1.0
98.97555	1.1
105.07018	5.9
106.07383	0.7
107.08578	9.3
108.09039	0.8
109.06505	14.6
109.10137	2.6
111.04433	11.6
111.08067	1.7
117.06998	2.0
119.08564	5.5
120.08868	0.7
121.10127	8.4
123.08064	2.0
123.11705	2.1
125.05977	3.0
129.06998	1.1
131.08539	2.3
133.06483	0.9
133.10100	6.9
134.99600	0.7
135.08032	2.1
135.11684	8.7
137.05966	100.0
137.13251	1.2
138.06300	1.5
139.07562	0.8
142.07710	1.3
143.08548	2.5
145.10110	1.7
147.08017	1.2
147.11678	6.4
149.09639	2.7
149.13231	2.6
151.07510	2.6
151.11163	1.4
157.10101	2.6
159.11725	1.8
161.09598	6.1
161.13280	3.2
163.11212	2.4
163.14815	1.4
165.09129	1.8
166.01326	0.6
171.11705	1.2
174.29424	0.6
175.11198	4.3
175.14764	1.0
176.14964	0.6
177.00720	1.1
177.12729	0.8
179.10641	1.9
189.12741	2.6
189.16446	0.6
193.12292	1.1
199.14789	1.1
203.17958	3.8
213.16397	1.8
217.04926	0.8
217.15887	1.1
221.15384	0.9
221.18967	1.2
223.14894	0.9
231.17410	7.0
235.16925	1.4
241.15819	1.2
249.18358	3.3
277.18005	7.8
277.21533	12.0
277.28259	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	277.1794
Annotation	Acetoxymarsupellone
Peak:m/z	Relative Intensity
55.05492	2.9
56.06798	0.9
63.16358	0.7
67.05492	4.2
69.03418	1.5
69.07056	1.7
69.74155	4.4
78.23321	0.8
79.05465	3.5
81.07050	11.3
91.05453	3.4
93.07030	6.1
95.04982	0.9
95.08599	8.0
97.06514	2.1
100.59772	0.7
105.07008	8.9
107.08584	10.5
109.06511	5.0
109.10130	3.7
111.08046	4.1
111.16576	0.8
119.08566	9.8
121.06469	4.5
121.10141	4.1
123.08034	5.4
128.06218	1.6
129.06987	2.3
131.08522	2.6
133.10132	10.6
134.54968	0.8
135.08043	7.2
137.09518	1.2
140.51538	1.0
142.07724	1.6
143.08527	9.1
145.06476	1.4
145.10115	2.3
147.08018	5.8
147.11636	3.5
148.08821	1.4
149.09584	3.2
156.09230	0.9
157.10092	3.3
159.11641	2.6
160.08791	3.6
161.09592	22.5
161.13293	1.3
162.10385	3.2
163.11107	0.8
171.11632	2.7
173.13223	1.4
175.11176	7.1
175.14848	2.9
189.12721	17.8
189.16354	3.1
199.14859	2.8
217.15848	38.0
219.85391	0.8
277.17950	100.0
278.18246	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	277.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.3
53.03921	0.4
55.05488	0.9
57.07072	6.6
58.07407	3.5
59.07730	0.5
61.10186	0.3
62.06083	0.7
65.03937	0.6
67.05505	1.9
68.99785	0.5
69.03429	0.6
70.06205	0.5
70.06586	10.9
70.20798	1.3
71.04964	0.5
71.06281	0.3
71.06917	4.7
71.08629	2.6
72.07235	0.5
72.08964	1.7
79.05476	3.1
81.03416	0.7
81.07055	2.3
83.05003	0.4
85.10188	0.4
86.10506	0.5
88.07619	10.4
89.07954	6.7
90.08018	2.1
91.05471	2.8
93.07030	2.2
95.04951	0.6
95.08591	1.5
102.09162	3.2
103.05449	0.6
103.09483	2.2
104.09740	0.3
105.07027	2.1
106.08149	0.3
106.08678	4.2
107.04941	1.5
107.08373	0.4
107.09104	2.5
108.09069	2.6
109.02853	0.5
109.06528	0.6
109.09413	0.6
109.10113	0.5
115.05435	1.5
117.07024	1.0
119.04939	2.0
119.08549	1.1
121.06512	1.1
121.10110	1.3
123.04436	0.5
125.02318	0.4
127.05460	0.4
128.06209	10.4
129.06972	1.4
131.04953	0.5
131.08556	0.9
133.06474	0.5
133.10114	0.7
135.04404	0.5
135.08041	0.5
135.11671	0.6
141.06952	0.8
142.07748	0.7
143.08566	4.6
145.06487	1.2
145.10133	0.4
147.04375	2.2
147.08057	0.5
147.11629	0.4
149.02382	0.3
149.13208	0.6
151.03871	0.5
153.06979	1.1
155.06041	0.6
157.06546	0.5
159.08073	0.8
161.05920	1.1
161.09589	1.2
161.13165	0.4
165.05524	0.5
168.68568	0.3
170.07219	0.4
171.08041	3.9
171.11604	0.3
173.05928	0.8
174.06752	0.4
175.03862	0.9
175.07501	1.5
177.05481	0.8
181.06381	0.4
184.05164	0.7
185.13196	0.4
187.07530	0.7
189.09109	1.6
191.07109	0.6
192.04129	0.6
193.05013	0.4
197.05959	0.4
198.06606	0.5
199.07524	15.8
201.05460	0.9
202.06108	0.5
203.03423	0.4
203.07001	3.9
203.10745	0.7
205.04968	0.8
207.06445	0.8
214.24544	0.4
215.07048	1.0
216.07617	1.1
217.08589	1.4
219.06502	3.5
220.07146	0.4
227.07004	11.6
231.06625	0.8
231.10112	1.7
231.25000	0.4
232.25330	0.7
234.08743	0.4
235.05971	0.8
235.16855	0.6
244.07025	1.7
245.08107	3.2
247.05821	2.3
249.07411	0.4
249.11221	2.8
256.26428	0.8
257.26828	0.7
258.26996	5.9
259.09604	7.0
259.27155	2.0
262.08011	2.1
276.28012	100.0
277.10693	11.9
277.18265	0.8
277.21603	3.7
277.28268	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0705
Annotation	YWA1
Peak:m/z	Relative Intensity
55.01768	1.0
55.01988	0.9
57.06978	0.8
57.07235	0.5
67.01759	1.1
67.05372	1.1
69.03306	1.1
70.06485	0.7
70.68358	2.1
73.42667	0.6
75.55711	0.5
79.05344	1.9
81.03297	1.1
81.06916	1.0
84.04333	2.2
84.08028	0.8
85.02753	0.8
86.09567	0.7
91.05316	6.4
92.99684	0.9
93.06914	1.2
95.01166	1.9
95.08472	1.0
97.02755	1.1
97.06396	0.9
102.12360	0.6
103.05287	1.8
105.06854	3.9
107.04785	3.3
109.02762	0.8
109.10039	0.8
110.07005	0.8
111.04299	0.7
115.05423	3.2
116.06133	0.9
117.06850	1.7
119.04768	6.7
119.08401	4.9
120.08057	0.8
123.00636	1.6
125.03163	0.6
128.06200	9.3
129.06824	20.2
131.04808	0.8
131.08463	1.3
132.05612	1.6
133.06363	1.1
135.04259	1.2
137.05750	0.7
138.60901	0.6
139.00177	0.7
139.03741	0.9
139.05298	1.2
141.06801	1.6
143.04836	0.8
143.08409	1.1
144.05583	1.3
145.06322	1.9
147.04242	2.7
147.08034	5.0
149.02182	2.0
150.29974	0.6
150.86099	0.6
151.03896	3.9
155.05957	0.8
157.06464	17.9
159.07912	1.4
160.05042	1.4
161.02220	1.3
161.05821	2.5
161.09531	1.0
163.03749	2.3
169.06400	1.2
171.04263	1.8
175.03807	1.1
175.07518	6.8
177.01715	1.1
179.03421	0.7
179.10492	0.8
184.05038	0.7
185.05963	14.0
187.03851	1.3
188.04413	1.4
189.01671	1.5
189.05470	3.9
193.01163	0.7
194.34053	0.6
195.08012	0.7
199.03751	0.8
202.06244	0.7
203.03279	1.6
203.06995	4.4
207.02840	3.3
209.00710	1.5
213.05453	17.9
214.06169	1.2
215.03302	1.4
215.06981	0.9
216.04131	8.4
217.01215	2.2
217.04866	1.7
217.15855	1.2
219.02800	2.2
219.99667	0.6
221.00771	1.3
221.04337	0.9
231.02878	0.7
231.06519	6.1
233.08003	1.0
234.01526	1.1
235.02351	5.4
235.16945	3.6
241.04964	5.7
244.03392	1.8
247.05989	0.7
249.03697	0.8
249.07532	5.7
259.06000	100.0
260.06305	2.2
262.04291	6.7
277.07080	79.2
277.18036	4.7
277.21130	0.7
278.07330	1.7
295.08109	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	276.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38001	4.7
70.06588	5.5
70.79327	4.6
71.27193	11.4
74.02424	8.9
75.03191	5.5
84.04489	10.2
84.08117	8.6
89.04725	6.5
119.06041	32.1
119.07310	5.6
120.06809	9.3
120.08084	5.3
128.04950	6.2
130.06519	27.6
131.06046	9.5
132.04428	6.9
132.08069	6.9
133.07681	5.5
142.06419	5.3
144.04405	6.1
144.08102	8.2
145.05237	10.3
145.07585	5.9
146.05956	48.1
147.05487	12.4
147.06691	9.9
147.09155	5.6
149.07127	6.1
157.07605	32.3
158.05934	31.0
159.09186	9.5
160.03868	5.7
161.07079	9.7
162.05522	38.8
169.07645	21.1
170.06111	6.1
171.05466	12.9
172.06294	8.9
173.07050	15.4
175.08681	16.3
176.07085	7.0
177.06589	6.9
185.07063	98.3
186.05507	10.7
187.05023	34.1
190.07333	9.7
197.07088	7.8
199.05103	6.4
202.09772	7.7
203.08156	46.4
212.08118	16.5
213.06538	56.3
220.08554	9.8
230.09218	100.0
231.07596	6.6
236.07915	9.5
241.06212	7.8
258.08698	12.0
259.07101	23.2
259.10837	6.4
276.09772	83.5
276.12698	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1956
Annotation	MGK 264
Peak:m/z	Relative Intensity
54.26373	0.4
55.05497	1.2
57.03429	0.6
59.04999	3.2
67.05489	0.8
69.07065	0.6
69.44656	2.7
70.06571	0.4
73.06520	0.4
74.99612	0.3
79.05486	0.8
81.03384	0.4
81.07040	0.7
91.05455	0.8
93.07032	0.6
95.08598	0.6
97.06514	0.8
105.07008	1.0
107.04935	0.3
107.08608	0.8
109.10120	0.4
114.93671	0.3
117.06995	0.6
118.06528	15.5
119.08509	0.4
120.08080	0.5
131.08510	0.4
132.08063	5.5
132.09004	0.4
133.08842	3.3
133.10023	0.7
134.09616	1.3
141.79958	0.3
145.10077	0.5
146.09613	5.6
147.10405	0.9
155.27682	0.4
163.03940	0.6
176.14326	69.7
177.14667	1.2
216.17419	0.5
228.35048	0.4
230.05550	0.5
232.13351	0.7
233.14064	0.4
235.16873	0.6
248.06523	0.4
259.09711	1.1
261.03900	0.7
267.88715	0.4
272.38528	0.4
276.19556	100.0
277.06833	0.4
277.10703	0.5
277.19986	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	14.0
57.07063	2.4
70.66050	7.6
71.95214	2.9
93.98227	2.4
95.08609	2.5
98.97569	97.6
101.00830	2.9
109.10091	2.7
116.98608	88.5
119.01891	17.6
134.99661	46.8
135.04297	2.9
137.02885	7.2
139.02626	2.3
141.75394	2.8
143.01761	3.7
145.03391	2.7
153.00656	6.1
157.03427	3.9
158.99847	2.8
161.02931	17.0
163.03847	9.3
163.11099	3.4
172.52130	3.1
173.02866	3.0
175.04454	7.9
177.00925	16.5
179.00664	4.3
210.95868	3.9
215.45819	2.9
217.15808	3.4
219.01949	24.0
220.02071	3.5
221.01659	4.6
235.16830	7.9
236.99400	9.3
237.06009	3.5
240.98541	4.2
245.04967	4.8
252.96725	4.0
254.88190	2.8
258.97183	4.2
258.99713	59.0
271.65970	2.9
274.97314	3.3
276.30536	2.6
276.97275	8.5
277.00674	100.0
277.05234	4.3
277.07880	14.1
277.17880	15.5
277.20410	2.8
278.00882	3.8
295.08597	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	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	11.2
69.03410	3.5
70.17746	9.6
70.98096	3.2
81.03391	2.4
82.99815	2.1
83.26080	2.1
88.94904	1.8
97.02885	6.3
98.97577	14.1
101.00876	24.6
109.02837	2.8
110.97547	4.9
113.00860	2.1
116.98571	8.8
119.01907	63.7
126.37603	2.0
128.98523	4.6
131.00177	3.0
131.01938	10.1
133.03444	4.3
134.99576	2.8
137.02954	11.9
143.01880	26.5
145.03423	12.1
146.99615	2.2
147.03242	2.2
155.01855	6.7
157.03464	15.7
161.01563	4.8
161.02933	100.0
167.01802	2.3
169.03429	2.3
170.99623	2.3
173.02963	12.0
175.02812	1.7
175.04512	13.4
177.00681	4.6
179.04019	3.3
185.02946	18.7
187.04478	6.9
189.00687	1.9
191.03969	2.9
197.02968	7.7
199.04587	3.4
203.03929	6.5
205.05536	3.2
215.04028	5.6
217.05557	2.5
219.01721	3.8
227.03809	3.0
237.02675	9.9
245.05045	60.9
263.06064	5.9
277.03207	5.6
277.07642	74.5
285.03918	2.3
295.06714	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.78974	1.1
52.96200	1.0
53.03928	3.2
55.01862	3.6
55.05508	15.9
56.50743	1.1
57.03415	2.4
62.07484	1.1
65.03913	1.1
67.05492	22.8
69.03410	1.1
69.07062	10.4
70.04523	4.7
71.04967	3.0
74.87607	1.0
79.05483	25.3
81.07045	27.6
83.04967	2.7
83.08601	5.3
85.06541	1.5
91.05467	42.5
93.07035	23.3
95.04950	5.5
95.08595	15.9
97.06510	6.7
97.10129	2.2
103.05443	2.0
105.07018	54.9
107.04939	3.0
107.08578	16.8
109.06509	7.4
109.10136	7.4
111.08070	1.3
111.72337	1.1
116.35072	1.0
117.07019	10.4
119.08569	35.6
121.06470	4.2
121.10131	10.7
123.08031	3.9
123.11703	2.2
129.07039	2.1
130.07730	1.4
131.08537	15.5
133.06516	1.4
133.09122	2.0
133.10109	38.3
135.08038	4.2
135.11655	4.8
137.09567	4.2
141.06966	1.6
143.08521	2.5
145.10104	15.1
147.11670	22.7
149.09561	5.5
151.11128	5.7
153.21765	1.2
155.08524	2.1
157.10052	3.0
159.11650	9.2
161.09608	2.0
161.13254	6.7
163.11145	5.9
165.12709	3.6
169.10097	2.0
171.11656	3.8
172.43900	1.1
173.09541	1.3
173.13235	6.0
174.59732	1.1
177.12766	3.3
183.11606	2.1
187.11075	1.7
187.14725	1.7
197.13223	2.6
201.12756	1.2
213.16284	1.5
229.15839	1.6
229.19542	3.2
239.17891	8.7
243.17339	1.3
247.20537	3.5
257.19000	12.5
275.20029	100.0
276.20313	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	1.4
55.01850	2.2
55.05504	13.1
56.24297	1.0
57.03416	3.4
57.07057	3.9
58.07404	1.2
67.05494	16.2
69.03415	1.0
69.07066	12.2
70.06593	4.9
70.96445	1.2
71.04976	4.5
71.43913	1.6
73.06533	1.0
75.22935	1.2
79.05482	18.1
81.07050	20.2
83.04967	3.4
83.08594	5.3
85.06527	4.7
88.07607	4.0
89.07931	1.4
91.05472	40.6
93.06492	1.5
93.07037	20.4
95.04948	3.1
95.08596	16.1
97.06515	3.2
101.06060	1.1
102.09138	1.0
103.05464	1.3
105.07019	57.3
106.08656	2.7
107.04930	4.0
107.08553	15.0
109.06505	7.1
109.10163	5.3
111.08058	4.5
117.07012	10.9
119.08570	40.5
121.06506	2.4
121.10127	11.8
123.08025	2.9
123.11699	1.9
125.09588	1.1
128.06181	2.0
129.06990	3.6
131.08560	19.2
133.10118	34.9
134.36093	1.2
135.08035	7.5
135.11668	3.8
137.09621	2.5
141.06923	2.3
142.07733	1.9
143.08554	7.2
144.09277	1.2
145.10110	17.1
147.11665	23.6
149.09581	5.3
156.09273	1.2
157.08948	1.4
157.10126	10.2
158.10866	2.6
159.11682	22.3
161.09615	2.3
161.13258	6.1
163.11145	2.4
168.09381	1.5
169.10159	2.5
171.11685	6.2
173.09651	1.3
173.13246	19.4
174.13969	1.8
175.11165	2.6
175.14798	3.0
177.12712	3.9
183.11711	5.5
185.13243	4.7
187.11171	1.2
187.14812	3.2
189.12750	1.5
191.14297	2.9
197.13199	3.4
199.14862	3.1
201.12801	1.7
201.16396	1.5
203.14333	2.7
211.14763	1.1
213.16275	2.4
215.14153	1.8
215.17859	2.1
217.15849	2.1
219.13817	1.9
229.19475	1.8
235.51230	1.2
239.17928	6.3
257.18945	12.4
257.26682	3.1
275.05069	2.8
275.20032	100.0
275.27716	39.5
276.20245	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.26248	0.9
53.03940	2.0
55.01860	2.6
55.05512	17.3
55.46196	0.9
57.03418	2.3
57.07045	1.3
65.03934	1.1
67.05179	1.6
67.05497	20.1
69.03400	1.2
69.07057	10.6
71.04976	2.1
71.13911	2.7
72.32809	0.9
79.05486	24.0
81.06596	1.7
81.07046	23.7
83.04967	2.7
83.08598	4.3
85.06570	1.0
90.90590	0.9
91.04901	2.3
91.05470	39.5
93.07039	21.5
95.04956	3.4
95.08598	12.9
97.06522	2.5
97.10178	1.7
103.05441	1.7
105.07024	51.7
107.04944	5.8
107.08586	16.0
109.06508	3.4
109.10148	7.7
111.08067	1.3
117.07009	12.8
119.08572	35.2
121.06497	5.3
121.10141	9.3
123.08050	2.2
123.11692	2.2
125.09602	2.0
129.06990	2.6
131.08559	14.6
133.06450	0.9
133.10114	31.0
135.08014	3.7
135.11676	3.9
137.09656	1.7
143.08525	3.1
145.10100	12.8
147.08040	2.3
147.11670	22.0
149.09589	8.4
149.13246	2.2
149.15778	1.0
155.08522	1.2
157.10117	3.6
159.08061	1.2
159.11646	8.8
161.13225	6.2
163.11160	2.4
165.09201	1.2
169.10078	1.5
171.11671	2.4
173.09589	1.1
173.13191	6.5
175.11142	2.0
175.14757	1.0
177.12660	1.5
183.11705	3.9
185.13245	3.1
187.11194	1.8
187.14781	1.7
197.13269	3.1
201.12683	1.2
203.14276	1.0
215.14319	2.0
219.13820	1.5
229.19519	2.8
233.15237	1.3
239.17923	2.9
247.20561	2.4
257.18921	7.4
275.20044	100.0
275.27731	5.3
276.20377	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03927	2.4
55.01848	5.0
55.05268	1.7
55.05507	22.1
56.89927	1.2
65.03946	1.8
67.05496	29.9
69.03400	1.2
69.07063	10.3
69.09496	1.3
69.66586	8.1
71.04984	1.8
79.05486	37.4
81.07047	21.0
82.19028	1.1
83.08595	4.7
85.93399	1.2
91.05470	47.2
93.07032	23.7
95.04937	3.7
95.08595	14.1
97.06528	5.5
97.10133	4.4
103.05489	1.3
105.07021	55.8
107.04937	19.4
107.08583	26.7
109.06475	3.2
109.10132	11.8
111.08078	2.4
117.07005	11.2
119.08570	33.7
121.06469	3.5
121.10126	9.9
123.08050	2.3
123.11633	2.4
125.09625	4.7
129.06970	2.1
131.08551	17.7
133.09134	2.1
133.10117	30.5
135.08022	4.1
135.11658	3.5
137.09583	1.3
143.08540	3.0
145.10120	16.8
147.11671	18.3
149.09601	33.2
149.13174	1.8
155.08536	1.5
157.10083	4.2
159.08070	1.6
159.11685	11.0
161.13217	7.5
163.11166	2.5
169.10146	1.8
171.11632	2.0
173.09566	1.3
173.11827	2.6
173.13272	5.4
175.11211	2.4
183.11609	1.6
187.11130	1.8
187.14809	3.1
196.94821	1.5
197.13226	2.5
215.14290	7.5
215.17807	2.5
219.17320	1.4
229.19467	5.4
230.87347	1.4
233.15350	2.4
239.17920	4.2
247.20567	2.0
257.18948	16.0
275.20032	100.0
275.27667	4.9
276.20224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.03320	0.8
50.89462	0.7
53.03944	1.1
55.01850	2.5
55.05505	12.1
57.03415	1.8
57.07066	1.3
59.25937	0.8
65.03926	1.0
67.05498	15.7
69.03450	0.8
69.07055	9.5
70.06606	0.9
70.77098	1.5
70.77464	1.5
71.04977	2.5
71.08627	1.0
73.06541	0.9
79.05486	18.0
81.03410	1.0
81.07050	19.4
83.04958	1.9
83.05414	0.7
83.08620	4.9
90.76769	0.9
91.05472	39.4
92.05804	1.1
93.06480	1.5
93.07034	18.9
95.04940	5.1
95.08604	10.4
97.06518	2.8
97.10157	1.0
103.05423	2.3
105.07019	61.9
106.07351	1.4
107.04905	4.8
107.08585	13.3
109.06482	2.5
109.10129	5.3
111.08077	1.4
115.05402	1.4
117.07001	11.9
118.07848	1.0
119.08571	35.2
121.06482	3.3
121.10130	8.1
123.08043	2.3
123.11694	1.1
125.09593	1.3
128.06233	0.9
129.06999	3.1
130.07808	0.9
131.08554	14.6
133.06445	1.6
133.10114	34.6
135.08052	4.0
135.11691	4.2
137.09578	1.8
141.07022	1.2
142.07776	1.3
143.08519	3.0
144.09253	1.0
145.10112	13.7
147.07994	1.6
147.11673	24.6
149.09616	5.8
149.13219	1.0
151.11163	1.0
154.07617	1.0
154.74301	0.8
155.08519	2.1
157.10141	3.6
157.66219	0.7
159.08052	1.1
159.11690	8.2
161.09656	1.5
161.13269	5.9
163.11148	3.2
169.10127	1.3
171.11703	3.7
173.09575	1.3
173.13228	4.7
175.11130	1.0
177.12752	1.4
179.03357	2.5
183.11639	2.6
185.13196	1.2
187.11200	1.6
187.14816	1.4
189.01797	4.6
191.14230	1.0
197.13283	2.5
199.14630	1.0
201.12813	1.6
213.16200	1.1
215.03197	0.9
215.14238	1.8
215.17923	1.0
229.16016	0.8
229.19426	1.7
231.06505	4.1
239.17993	3.2
247.20509	1.2
257.19006	10.1
275.04849	1.8
275.09259	4.5
275.20029	100.0
275.27771	3.4
276.20422	3.8
293.10294	1.4
296.57178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01844	3.3
55.05502	12.8
57.03415	5.7
57.07068	3.5
67.05205	1.9
67.05499	16.0
69.03437	2.0
69.07060	11.9
70.06590	3.0
71.04987	9.1
71.13879	4.9
79.05484	21.0
81.07053	23.9
83.04975	3.1
83.08592	6.3
85.06512	5.2
88.07628	3.2
91.05471	42.8
93.07027	23.9
95.04957	3.5
95.08598	17.9
97.06501	3.8
97.10142	3.0
105.07020	61.7
106.08624	2.2
107.04961	3.9
107.08558	17.1
109.06496	9.8
109.10130	6.5
111.08084	9.1
115.05423	2.8
117.06989	12.7
119.08562	47.1
121.06506	3.4
121.10151	13.6
123.08018	6.0
123.11681	4.7
125.87817	1.7
129.06938	3.5
131.08539	26.5
133.10103	35.8
135.08044	15.0
135.11638	5.1
137.09616	3.8
141.06917	2.6
142.07782	5.7
143.08508	14.1
144.09308	3.9
145.10089	21.7
147.08014	4.0
147.11658	27.1
149.09581	7.2
151.11159	1.9
155.08516	4.4
156.09331	2.7
157.10104	14.8
158.10844	6.5
159.11668	34.2
161.09654	3.7
161.13197	5.0
163.11163	3.8
168.09296	2.4
169.10150	4.5
170.36600	1.9
171.11670	8.3
173.13248	38.4
174.13966	2.4
175.11115	6.1
175.14755	5.2
177.12704	5.8
183.11707	8.6
185.13231	5.9
187.11208	3.1
187.14771	6.1
189.12726	2.6
191.14291	7.8
197.13269	5.8
199.14856	8.5
201.12746	7.2
203.14316	4.3
208.18265	1.7
211.14841	3.0
213.16380	3.8
214.20319	1.9
215.14261	4.6
215.17961	2.8
217.15816	3.3
229.19524	2.7
239.17809	9.3
257.19016	19.7
275.20032	100.0
275.27704	32.6
276.20142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.06186	1.4
53.03923	2.4
55.01872	4.9
55.05508	27.7
55.47494	1.0
56.72591	1.0
57.03431	1.6
58.11625	1.1
64.40360	1.0
65.03922	1.3
67.05499	31.7
69.03426	1.7
69.07063	8.4
69.22953	6.4
69.23376	4.4
71.04971	3.3
73.84180	0.9
79.05488	47.1
81.07047	23.1
83.04957	3.0
83.08610	7.7
85.06507	1.9
91.05475	35.9
93.07033	25.8
95.04960	2.8
95.08608	12.5
97.06515	2.9
97.10155	5.0
103.05474	1.2
105.04469	1.6
105.07019	48.4
107.04942	24.1
107.08584	30.2
107.09308	2.0
109.06490	2.5
109.10147	17.2
111.08065	2.8
115.05406	1.9
117.07015	12.0
119.08573	27.7
120.37731	1.0
121.06484	3.0
121.10136	12.9
123.08064	1.1
123.11700	5.2
125.09619	5.4
129.06941	1.9
131.08551	12.7
133.06488	1.2
133.10120	27.5
135.08063	5.6
135.11708	2.8
137.09569	1.0
139.11009	1.0
141.07011	1.4
143.08513	3.1
145.10106	12.0
147.08069	1.2
147.11664	20.9
149.09604	49.8
150.09967	1.3
153.09123	1.6
157.10141	2.1
159.11684	9.3
161.09567	1.5
161.13258	6.8
163.11157	1.6
167.24689	0.9
169.12234	2.8
171.11723	2.5
173.11711	4.6
173.13266	6.5
175.11133	2.0
175.14757	1.2
177.12933	1.4
179.10619	1.6
183.11658	2.2
187.11235	1.4
187.13223	1.3
197.13234	2.8
211.14725	1.1
215.17885	2.3
229.19531	8.9
233.15268	2.3
239.17932	3.1
247.20604	2.0
257.18988	18.9
270.05490	1.0
275.20032	100.0
276.20441	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.1
55.05500	2.9
56.67652	0.9
57.03444	1.1
57.07059	2.0
61.30446	0.8
63.80876	1.1
67.05502	6.0
69.07064	13.4
70.22230	4.0
71.04978	3.5
79.05475	4.4
81.07061	7.1
83.04977	1.2
83.08605	3.0
85.06548	3.8
91.05482	6.3
93.07021	10.3
95.04943	1.9
95.08595	7.5
97.06528	1.4
105.07011	9.5
107.04941	1.3
107.08581	8.9
109.06499	2.8
109.10162	6.2
111.08070	22.4
111.11689	1.2
113.09644	4.2
117.07003	1.4
119.08578	9.9
121.06511	2.9
121.10123	7.8
122.07236	4.5
123.08057	16.3
123.11692	2.3
127.11203	1.4
129.06970	2.2
131.08563	9.4
131.98679	1.2
133.10097	6.0
135.07005	1.3
135.08037	24.8
135.11693	3.5
137.09618	2.8
139.11093	1.4
143.08522	2.6
144.09264	1.1
145.10124	6.6
147.11690	7.2
149.09555	4.6
149.13217	1.8
156.09346	2.2
156.16347	1.0
157.10114	3.8
159.11681	7.5
161.09660	3.3
163.11185	3.0
165.12767	3.0
168.13887	1.0
169.10120	1.1
171.11668	12.3
173.11884	1.1
173.13234	5.3
175.11191	1.8
175.14746	2.1
176.11954	5.0
177.12706	2.0
181.12222	16.1
183.11699	1.5
187.11234	1.6
189.12750	3.6
191.14293	100.0
192.14642	2.6
197.13338	2.1
199.14806	3.9
201.12749	1.1
205.12268	1.3
213.16321	1.0
215.14343	1.5
215.17966	3.1
217.15854	6.8
257.18988	8.4
269.49203	0.9
275.20053	35.9
275.27728	3.3
276.20453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37212	1.0
53.03935	2.1
55.01863	7.5
55.05507	14.2
57.03420	1.6
65.03918	1.5
67.05501	17.8
69.03412	1.4
69.07066	11.5
70.97572	3.0
71.04982	2.6
79.05493	21.2
81.03416	2.1
81.06595	2.1
81.07046	36.5
83.04976	2.6
83.08604	4.6
91.05470	49.8
93.07040	23.0
94.94437	1.0
95.01299	1.4
95.04947	4.0
95.08591	13.2
97.06525	10.9
97.10154	3.2
103.05471	2.3
105.07022	100.0
106.07339	1.7
107.04974	5.6
107.05557	1.2
107.08600	13.7
108.05077	1.0
109.06525	3.4
109.10126	4.7
113.03637	1.0
117.07011	9.6
119.08571	39.6
121.06482	1.5
121.10131	4.8
123.08053	2.3
123.11744	1.2
125.09615	1.6
129.07053	1.8
131.08562	20.1
133.10123	62.6
135.08017	2.4
135.11720	3.6
141.07101	1.2
143.08542	2.7
145.10110	14.0
147.11679	22.5
149.09564	2.5
149.13237	1.4
151.11075	2.2
155.08517	1.4
157.10117	2.2
157.74457	1.1
159.11670	7.0
161.13251	4.2
162.67107	1.0
163.11157	2.4
165.09123	1.8
169.10147	1.7
171.11685	1.8
173.13210	2.7
175.11269	1.1
175.14824	1.2
177.12669	1.6
179.14355	1.3
187.11116	1.4
197.13260	2.8
215.14230	1.4
228.49710	1.1
229.19511	1.4
239.17984	3.3
246.56242	1.1
247.20534	2.6
257.18829	7.2
275.20044	75.2
275.27765	3.0
276.20407	2.3
281.78345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
53.26852	0.7
55.01855	1.5
55.05506	4.7
57.07070	1.6
67.05503	5.2
68.99779	1.1
69.03447	1.2
69.07062	5.5
70.06576	0.9
70.31725	1.5
70.32121	1.5
71.59528	0.8
79.05505	4.2
81.03392	1.6
81.07055	7.3
83.04961	2.6
83.08598	1.5
91.05472	6.7
93.03418	1.0
93.07031	7.4
95.08591	7.8
97.06527	2.7
97.10169	1.1
103.05490	0.8
105.07032	8.9
107.04937	9.1
107.08566	6.3
109.10175	4.2
115.05427	0.9
117.06954	2.0
119.08560	5.8
121.02888	1.2
121.06473	1.1
121.10143	3.5
123.04405	1.7
123.11703	2.4
129.07040	1.5
129.97644	1.0
131.04909	2.3
131.08527	2.2
133.02840	3.3
133.06531	1.3
133.10100	5.9
135.04382	1.7
135.08051	1.6
135.11679	1.9
137.05901	0.8
141.06956	1.9
143.08586	1.3
145.06439	1.2
145.10101	4.5
147.04401	4.5
147.11674	3.4
149.02327	1.7
149.09677	1.2
149.13208	4.3
151.03806	1.1
155.08522	1.7
157.10028	1.0
159.04419	1.5
159.08029	1.6
159.11691	2.0
161.02367	1.1
163.03889	16.9
163.14772	1.5
164.04637	2.1
169.06419	0.8
173.05960	1.2
173.09511	1.0
173.13260	2.0
175.03864	1.6
177.01846	4.4
177.05466	2.7
178.02557	4.6
179.03369	13.4
183.08078	1.6
187.07520	1.9
189.01799	2.4
191.03374	19.6
192.04143	20.7
193.04710	1.0
199.03850	1.1
200.04666	2.5
201.05502	1.6
201.09094	3.0
201.12640	1.1
203.03362	20.1
204.04108	3.1
205.01231	1.4
215.03421	1.5
215.06917	1.1
215.14450	1.2
216.04103	1.1
217.05008	5.4
218.05623	2.4
219.02769	1.7
223.02370	2.3
229.08606	2.4
231.06459	3.8
239.17696	1.1
242.05849	0.9
244.07353	1.5
247.09631	36.2
257.08090	3.9
257.18869	1.3
275.09103	100.0
275.15683	7.2
275.20044	13.0
275.22980	1.4
275.24429	1.3
275.27429	3.4
276.09467	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.3
61.31960	0.8
64.89450	0.7
65.03909	1.3
66.09068	0.7
67.05490	2.8
69.03419	1.5
69.59563	4.6
69.59987	1.1
82.99857	2.3
83.04964	2.8
84.96032	0.8
93.03424	1.7
95.04969	4.3
97.02866	2.0
98.20840	1.1
98.97585	8.0
101.00195	1.0
101.00868	21.6
103.02448	1.3
105.00346	0.8
109.01351	1.8
111.04417	1.9
115.02436	1.2
116.98616	5.9
117.03964	1.0
119.01910	86.3
120.02008	2.6
121.02850	7.3
125.04461	1.5
127.02406	10.4
129.03934	1.8
131.01895	1.6
133.03447	1.4
134.99643	2.6
135.05002	0.8
137.02943	21.8
139.02396	1.7
139.03868	1.8
142.03426	1.5
143.01888	4.0
143.05501	1.3
145.03455	57.8
146.03635	1.5
151.02390	2.0
153.03969	1.8
157.03448	10.7
159.05045	3.6
161.02957	9.9
161.06595	1.2
163.04510	5.7
167.01843	1.8
168.05006	1.1
169.03450	57.1
170.03661	1.9
171.01248	1.1
171.05017	13.8
173.02975	1.0
175.04512	3.8
183.04947	1.2
185.02942	25.3
185.06555	2.4
187.04503	90.4
188.04675	2.7
189.02432	3.4
189.06055	2.7
194.06686	0.7
195.05051	4.4
197.02940	14.5
203.02298	0.9
203.04012	9.4
203.07686	0.8
205.05573	16.2
207.03458	1.0
208.04503	1.1
210.06087	3.1
211.04449	5.7
213.02449	3.0
213.06102	4.4
215.03969	18.0
221.02997	4.9
228.98146	0.9
229.05563	47.4
230.05797	0.8
231.03500	2.7
233.05083	0.8
239.03935	2.8
247.06619	30.2
248.06917	1.6
249.04562	2.2
252.49538	0.8
252.96333	1.4
257.05008	4.7
270.08307	2.1
274.97818	3.6
275.06091	100.0
276.06366	5.2
292.98560	2.9
293.07135	25.2
294.07370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.1
55.01876	6.3
55.05505	20.2
57.03423	3.1
57.07057	1.0
59.04988	1.0
64.21041	0.8
65.03925	1.1
67.05497	17.2
69.07059	9.7
69.70290	4.6
71.04976	2.9
73.06520	1.2
77.03951	1.0
79.05480	15.4
81.03410	1.3
81.07043	15.6
83.04944	2.3
83.08598	8.2
85.65898	0.8
86.68283	0.8
91.05470	38.7
93.07030	11.1
95.04951	5.0
95.08583	9.6
97.06516	2.7
97.10168	4.1
103.05459	2.4
105.07014	27.6
107.04957	4.1
107.08580	7.2
109.06492	3.4
109.10129	3.2
111.08065	1.9
115.05453	5.6
116.06213	4.3
117.07001	32.0
119.04910	5.1
119.08566	29.1
121.06496	2.0
121.10113	2.8
123.04398	2.3
123.08064	2.0
125.09615	1.9
128.06219	6.9
129.06976	17.9
130.07793	7.1
131.04916	1.6
131.08553	45.2
133.06456	3.6
133.10101	8.0
135.08044	5.5
137.09622	0.9
141.06976	3.1
142.07744	3.3
143.08539	31.2
144.09309	2.9
145.06454	3.4
145.10098	52.7
147.04369	3.7
147.08022	15.9
147.11650	2.4
149.09615	2.3
153.01805	2.4
155.08531	3.2
156.85603	0.8
157.06458	1.1
157.10112	16.4
159.08031	7.0
159.11671	15.5
161.09599	9.6
161.13191	0.9
163.11148	2.9
166.07693	1.1
167.08559	1.6
169.10085	4.1
171.08072	1.3
171.11690	8.4
172.12402	1.1
173.09631	2.0
173.11800	1.3
173.13225	3.3
175.11116	4.9
181.10103	2.6
183.11693	1.9
185.09575	2.0
185.13254	3.9
187.11423	0.8
189.12723	1.7
195.11604	4.5
199.11154	2.5
199.70369	0.8
201.12743	2.4
205.12137	0.9
209.13098	1.6
211.14893	2.2
213.12747	1.8
213.16399	2.7
217.15871	2.3
227.07014	0.9
227.17915	3.9
231.17336	0.8
237.16345	7.0
245.18890	2.0
255.17372	14.0
273.07596	1.7
273.14883	3.4
273.18457	100.0
274.18710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72530	0.9
56.96560	15.8
59.01484	0.8
60.21571	1.0
67.20171	0.8
69.87260	3.3
69.87663	1.5
70.95850	2.1
71.95237	3.0
95.04934	1.2
98.97568	100.0
101.00828	1.0
102.92222	1.0
116.98605	86.4
118.65517	1.0
119.01895	7.5
121.02819	2.2
130.05852	0.9
130.93240	1.0
134.99637	52.0
137.02962	3.6
140.00203	1.3
145.03461	2.1
153.00671	7.5
158.01241	1.0
161.02917	1.5
169.03378	1.6
172.94322	3.9
174.97607	1.8
175.04472	1.3
177.00877	3.5
178.00949	1.2
187.04460	1.8
190.95357	8.4
192.98657	2.0
208.96155	4.7
214.95302	2.0
216.98698	5.5
217.98723	0.9
219.01971	3.5
220.02179	2.4
221.01761	2.5
232.96376	8.3
234.99715	11.5
247.06721	1.0
250.97272	8.1
256.96304	10.6
257.04950	2.8
274.27481	1.0
274.97415	99.7
292.98410	66.8
297.99008	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	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.05016	1.1
56.96559	44.8
57.03427	1.3
60.04506	1.9
60.05627	2.3
68.47901	1.2
69.03427	2.1
70.06259	1.1
70.06590	7.9
70.31915	4.9
70.98119	7.3
71.95239	3.5
72.08147	6.5
73.02939	1.6
84.04493	2.6
84.08131	9.1
84.96030	1.6
85.02888	3.0
86.06027	1.3
86.09692	2.9
88.99146	3.4
97.02865	1.5
98.06033	1.5
98.20917	1.2
98.97574	100.0
100.99114	3.8
101.00855	4.9
105.00305	1.2
107.04927	1.2
110.97561	5.4
113.02321	1.3
113.03459	1.3
113.07113	3.1
116.07080	2.5
116.98611	77.5
117.03989	1.6
119.00151	1.3
119.01907	27.0
120.97948	1.2
125.07114	4.1
127.02407	1.7
128.98587	10.7
129.10237	2.8
131.00137	2.8
131.01872	4.5
134.98642	2.3
134.99646	39.8
136.06128	2.0
137.02934	10.6
140.00104	2.7
143.00142	4.8
143.01881	2.5
143.05661	1.6
145.01695	2.2
145.03458	11.8
146.99632	6.6
149.01213	1.6
153.00711	5.4
155.01942	1.9
158.01166	1.3
158.99666	2.5
159.05017	8.4
161.01202	5.7
161.02913	4.1
162.99109	2.1
163.02766	2.4
163.04454	3.9
165.00641	6.3
169.03433	3.3
172.94316	1.7
172.97620	6.7
173.01283	2.1
173.02914	5.7
174.99174	3.0
175.04459	2.7
175.11951	2.8
176.93529	1.2
177.00700	4.2
177.06097	4.8
179.02278	1.4
183.01744	3.1
185.02951	3.2
185.06660	1.9
187.02982	1.1
187.04434	6.5
188.97046	2.6
189.00623	2.1
189.02393	3.8
190.95386	5.6
190.98616	24.4
191.02112	1.5
193.00183	3.8
203.02274	1.9
203.03906	6.0
205.00261	2.9
205.03787	1.9
205.05443	2.4
206.98137	3.5
207.01741	7.9
207.03453	2.0
208.96420	3.0
208.99623	7.0
212.02025	1.2
213.02408	1.9
214.95453	1.3
218.98102	3.8
219.01692	2.5
220.99803	1.9
221.03152	2.0
221.05077	10.7
223.01239	2.0
225.02747	2.0
229.05452	4.0
231.03517	2.7
232.96405	6.5
232.99641	10.2
233.03426	1.4
234.10014	1.4
234.99730	1.8
237.02901	3.0
247.06645	11.2
249.02788	1.7
250.97543	3.9
251.00708	11.7
256.96426	8.4
257.05020	2.4
257.16342	1.7
261.02783	1.7
274.18658	5.0
274.97479	83.0
275.05762	6.0
275.10858	3.6
292.98505	57.8
293.03555	2.2
293.07108	2.3
297.99155	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.90890	0.2
53.03931	0.4
54.06210	0.2
55.01869	0.6
55.32509	0.2
65.03938	0.7
67.01854	5.6
67.05502	0.6
68.99775	3.6
69.03423	1.7
70.06583	0.3
70.77813	0.6
77.69070	0.2
79.01833	0.3
79.05016	0.2
79.05476	0.5
81.03416	0.6
81.07040	0.3
83.01332	0.7
83.04969	0.3
85.02874	0.2
91.05469	7.4
93.07014	0.3
95.04953	5.4
95.08579	0.3
97.02872	1.9
103.05434	0.3
105.06995	0.4
107.04945	6.3
107.05635	0.4
107.08596	0.3
109.02885	0.2
109.06496	0.3
111.00789	0.9
111.04436	0.4
119.04927	26.5
120.05232	0.3
121.02845	1.2
121.06479	1.5
121.10162	0.2
123.04413	10.3
125.02319	0.7
127.03899	0.5
129.01825	0.6
129.07025	0.3
133.06465	1.1
135.00810	0.2
135.04463	0.4
137.02269	0.3
139.03889	0.7
145.06493	0.4
147.04390	38.3
148.04768	0.7
148.37994	0.2
149.02309	1.1
151.03856	2.5
153.01807	100.0
154.02113	1.3
157.06454	0.5
157.10190	0.4
163.03841	0.3
163.07466	0.4
169.06409	0.3
171.02869	22.4
172.03273	0.4
179.03403	1.2
181.06517	0.5
185.05936	0.5
189.05403	1.2
197.06018	0.3
199.07510	0.4
213.05426	0.4
215.06990	1.1
227.06950	0.4
231.06540	0.8
241.08600	0.4
243.06526	0.9
245.08075	0.7
255.06490	1.2
255.11461	0.3
273.07532	63.3
274.07867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
65.03931	0.5
67.01858	2.4
68.99776	1.8
69.03417	1.6
71.04253	0.5
72.71641	0.2
75.43171	0.2
79.01839	0.4
81.03381	0.2
81.07034	0.3
83.01304	0.4
91.05470	7.6
93.07038	0.3
95.04966	2.5
95.08588	0.4
97.02866	1.0
105.07003	0.2
106.35303	0.2
107.04936	2.6
111.00785	0.4
111.70357	0.2
117.07020	0.2
119.04929	18.4
120.05277	0.2
121.02847	0.4
121.06482	0.5
123.04414	4.1
147.04391	42.1
148.04727	0.6
149.33601	0.2
151.03902	0.7
153.01810	100.0
154.02122	1.4
157.06479	0.3
164.07025	0.5
166.08607	0.2
171.02876	2.6
171.04279	0.4
179.03424	0.7
189.05400	1.2
207.06448	0.2
231.06557	0.5
255.06407	0.9
273.07535	66.7
274.07846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1689
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
50.65403	3.5
55.01848	3.5
55.05493	4.8
56.13591	3.4
57.03415	4.9
58.83485	4.8
67.05492	14.3
68.99781	6.2
69.07065	7.2
69.40868	7.9
69.41270	25.7
71.04984	15.5
78.29622	3.5
79.05485	12.0
81.07052	20.3
85.06546	4.9
91.05476	27.6
93.07037	41.5
95.04948	12.1
95.08610	27.8
105.07026	46.0
107.08586	36.1
108.83028	3.7
109.06503	73.4
109.10117	8.2
109.35352	4.2
111.08030	3.7
113.06033	3.9
115.05450	7.2
117.06982	18.9
119.04982	5.3
119.08575	20.6
119.73251	3.7
121.06458	4.4
121.10072	6.2
123.08041	8.4
128.06190	10.1
129.06996	16.2
131.08554	32.4
133.10120	16.4
135.08041	49.1
137.09610	14.6
141.06993	11.5
142.07762	15.9
143.08530	40.8
145.10101	28.0
147.08026	9.6
149.09636	18.7
152.06262	4.2
153.06927	6.8
153.77164	4.8
154.07787	5.4
155.08553	35.3
156.09319	22.1
157.10112	24.4
159.08029	15.1
159.11702	11.9
161.09637	10.2
165.06967	30.3
166.70987	5.3
167.08565	10.5
168.09404	8.0
169.10106	38.8
170.10858	8.8
171.08076	4.7
171.11671	63.7
171.12999	6.9
172.08740	4.1
172.12065	4.2
173.09578	10.8
175.11133	4.3
176.39670	3.5
179.08539	7.5
180.09348	27.9
181.10101	17.8
183.08102	9.2
183.11696	16.5
185.13216	21.3
187.11127	9.7
187.14839	5.9
191.10635	6.2
195.11673	69.3
196.12488	15.3
197.05956	6.9
198.10352	11.4
201.12708	11.4
209.13231	10.1
210.13998	7.8
211.07532	12.3
211.11205	7.7
211.14754	44.6
213.12732	100.0
220.12473	5.9
227.14346	5.4
228.15190	5.1
229.05031	6.4
229.15862	17.3
229.97791	3.9
235.14789	4.8
243.13602	4.5
253.15820	40.5
271.05981	39.7
271.09451	7.7
271.13675	8.8
271.16885	85.0
271.20016	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.8
55.05499	11.1
57.03427	22.8
67.05494	65.6
67.88831	4.1
67.95258	3.8
69.03407	3.9
69.07063	17.0
69.51849	16.7
69.52283	17.1
69.94133	3.6
71.04977	11.0
75.80358	4.3
79.05487	26.4
81.07043	69.8
81.07481	7.9
83.04955	9.3
83.08604	6.8
85.06510	6.2
91.05474	48.2
92.70456	4.1
93.07047	23.4
94.64479	4.3
95.04957	10.8
95.08614	8.7
98.55132	4.2
105.07024	49.9
107.08588	42.3
109.06490	8.2
109.10133	75.8
123.11692	18.0
131.08577	6.4
133.10107	100.0
151.11160	67.5
153.01822	4.0
163.55707	4.4
169.12297	11.2
221.10594	4.5
241.28348	4.6
271.06033	27.9
271.15317	55.0
271.20679	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	271.1689
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
51.14639	3.8
55.01870	6.2
55.05503	12.2
57.03420	3.5
57.07056	4.1
57.66602	3.4
65.00266	3.6
67.05484	14.5
68.99775	7.6
69.03419	5.0
69.07052	6.6
70.92072	7.5
70.92400	4.4
71.04973	22.4
79.05480	16.5
81.07044	27.7
85.06525	8.1
91.05481	33.1
93.07038	35.9
95.04951	15.8
95.08587	23.4
105.07027	45.4
107.08575	32.0
109.06499	88.3
109.10154	6.8
111.08063	7.1
115.05451	6.3
117.07018	14.6
119.08536	24.0
121.06477	5.2
121.10110	5.7
123.08060	10.5
128.06207	11.4
129.07001	19.7
131.08574	29.7
133.10107	10.0
135.08035	58.5
137.09604	13.8
141.06961	11.4
142.07785	15.2
143.08542	41.8
145.10081	36.4
147.08018	8.9
147.11652	4.2
149.09561	25.8
153.06972	8.2
154.07712	4.4
155.08553	26.7
156.09319	20.1
157.06709	3.7
157.10115	33.5
159.08063	11.7
159.11725	10.6
161.09625	10.1
165.06990	36.4
166.07652	6.6
167.08525	19.3
168.09338	8.8
169.10136	31.1
170.10864	13.7
171.11664	76.7
172.08826	5.1
172.16443	3.5
173.09624	11.2
179.08536	10.0
180.09300	30.6
181.10153	11.1
182.10730	4.2
183.08081	11.0
183.11653	21.6
184.12553	4.5
185.06157	4.3
185.13193	20.3
187.11171	11.9
187.14787	7.6
191.10580	7.1
193.10133	6.4
195.11678	90.9
196.12378	18.2
197.06015	7.0
197.09630	5.3
197.13252	4.4
198.10413	13.1
199.11243	6.0
199.14757	5.9
201.12761	14.8
209.13248	14.6
210.14070	8.1
211.07544	16.4
211.11179	8.9
211.14792	39.4
213.12711	100.0
220.12518	6.2
229.04977	6.2
229.15825	26.2
235.14783	11.4
239.06860	4.8
253.15869	36.7
271.05984	45.2
271.09534	15.5
271.16916	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05510	1.0
57.07060	0.6
67.05495	1.7
69.07037	1.1
69.72147	1.2
69.72562	2.4
79.05479	2.5
81.07022	2.1
91.05454	2.6
93.05753	0.8
93.07035	2.2
94.06541	1.1
95.04928	0.8
95.08595	1.0
96.08120	1.1
98.48999	0.6
103.05437	0.7
105.07033	1.0
106.06536	1.6
108.08112	6.3
111.08112	0.8
118.06519	0.8
120.08082	1.3
121.10133	0.9
122.09633	1.1
124.07575	0.8
129.07036	1.5
130.06461	0.8
133.10136	1.0
134.05992	1.4
136.07545	0.7
140.90077	0.6
143.08557	1.4
144.08049	2.0
147.06799	0.9
151.11159	0.7
153.06895	1.0
154.06468	0.8
155.08513	0.8
156.08040	1.0
157.10114	1.5
158.05998	0.8
159.08009	1.7
159.09164	1.4
165.06947	1.5
168.08069	6.2
169.08827	3.6
170.09703	1.5
172.07581	1.1
174.09151	1.0
181.10095	1.8
182.09663	3.7
183.07993	1.1
183.10439	10.4
183.11864	1.3
185.10686	1.6
186.09203	0.7
186.11485	1.2
196.07558	3.4
197.08304	5.8
198.09190	1.1
198.12762	8.2
199.08658	5.7
199.12297	1.2
210.06836	0.9
210.09036	2.3
210.11304	0.9
211.07504	2.8
211.09897	10.4
212.09407	2.8
213.10204	10.4
214.10995	2.8
215.15497	3.4
225.13995	0.9
226.12247	24.9
227.08131	2.2
227.11749	25.4
228.12540	25.2
238.11053	0.9
239.06857	1.2
239.11758	0.7
240.08939	1.7
241.09662	2.1
241.13394	1.1
242.10429	1.1
243.14909	21.9
247.93034	0.7
253.13333	2.7
254.11693	1.8
255.11261	42.2
256.12030	49.0
269.12839	1.8
271.06311	5.5
271.14377	100.0
272.14731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01872	10.0
55.05503	12.5
57.03431	26.9
57.07059	3.5
65.03933	2.7
67.05499	61.6
68.99786	6.9
69.03405	7.9
69.07059	19.0
71.04974	9.7
71.08613	1.6
71.13436	2.9
72.74356	1.3
79.05064	2.1
79.05482	19.8
79.08666	1.3
81.03399	3.1
81.07047	57.0
81.07528	3.2
81.17237	1.4
83.04968	9.7
83.08610	4.1
84.09396	1.4
85.06538	8.0
91.05473	45.3
93.07035	22.1
95.04955	8.7
95.08605	10.9
97.02843	1.7
97.06503	6.0
98.97535	1.9
99.04453	3.5
99.08096	1.9
105.07018	52.9
107.04942	4.7
107.07871	2.9
107.08578	45.0
107.09303	2.3
109.06512	10.2
109.10144	85.2
113.05984	3.6
117.06992	2.2
119.08543	4.8
121.02843	1.8
121.10117	3.6
123.02619	4.4
123.08081	2.7
123.11708	16.2
127.07521	4.4
131.08551	4.2
133.10117	100.0
135.11697	1.5
137.05969	2.3
141.06976	2.2
145.10072	5.2
147.11655	1.6
151.02095	7.3
151.11157	61.2
152.11430	1.8
153.01865	3.2
155.04871	2.5
157.06502	3.0
159.11620	1.9
161.01566	1.9
161.09618	3.4
161.13193	2.4
165.05522	1.8
165.07002	2.1
169.06456	2.8
169.12198	13.1
173.05963	4.5
173.13213	2.2
179.01587	9.4
179.10674	1.8
180.07794	4.0
181.06332	1.9
183.04305	2.3
183.08025	2.2
185.05893	2.1
197.05901	4.2
197.11694	1.4
201.05420	5.9
203.06990	2.2
208.55046	1.5
211.04161	2.2
211.07481	3.6
215.06915	2.5
215.12743	3.5
215.17937	2.9
225.05460	5.5
229.04930	6.7
239.03281	2.1
243.06464	3.5
253.05089	4.1
253.14305	5.1
261.14172	1.5
271.05975	44.3
271.09573	8.0
271.15356	46.5
271.20081	1.9
271.24081	8.1
272.06421	1.8
272.09628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0591
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05492	0.2
65.03943	0.2
67.01858	1.8
67.05479	0.4
68.99440	0.2
68.99783	1.6
69.03426	0.2
71.04956	0.2
71.16283	0.1
71.16610	0.2
79.05486	0.1
81.07053	0.1
89.47590	0.1
91.05469	2.4
93.07053	0.1
95.04936	0.2
95.08593	0.1
97.02865	0.1
105.07002	0.2
107.04945	0.1
109.02876	0.2
109.10152	0.2
111.00803	0.2
114.09165	0.2
115.05442	0.2
117.06929	0.1
119.04931	5.9
121.02852	1.8
121.10144	0.2
123.04440	0.2
125.02299	0.2
127.03932	0.2
129.01811	0.4
131.04915	0.1
131.08549	0.2
133.10101	0.3
141.06952	0.5
145.01776	0.2
145.02831	1.7
145.06470	0.2
145.10133	0.1
149.02304	0.5
153.01814	11.7
155.04947	0.2
155.08604	0.1
157.06482	0.2
159.04460	0.2
161.05968	0.3
163.03883	0.9
165.01801	0.1
165.06999	0.2
169.06439	0.8
171.02878	1.6
173.05968	0.5
182.09550	0.1
183.04283	0.2
183.07976	0.2
185.05878	0.2
187.03870	0.5
187.07587	0.2
197.05978	0.9
198.06262	0.1
198.12704	0.2
201.05466	0.5
202.06282	0.1
203.07021	0.4
211.03955	0.2
211.07550	0.2
215.06999	1.2
225.05405	1.2
229.04958	1.0
241.11549	0.1
243.06476	1.1
247.06062	0.2
253.05023	0.5
271.05978	100.0
272.06238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01867	1.5
55.02592	0.6
55.05492	0.7
57.12304	0.6
58.99555	0.8
61.92772	0.8
65.03932	3.7
67.01837	1.1
67.05497	0.8
68.99441	1.2
68.99784	15.5
69.03394	1.0
70.06592	0.8
70.92397	1.0
70.92710	0.9
72.08130	1.0
79.05501	1.0
81.07040	0.9
83.04970	0.7
89.03887	0.8
91.05463	12.6
95.08591	1.1
103.05438	0.8
107.04934	8.2
109.02898	0.9
111.00787	1.2
115.05434	2.5
116.01675	1.3
117.03423	0.7
117.06995	1.3
119.04926	6.7
119.08528	0.6
121.02850	18.3
123.04356	0.8
128.06213	1.7
129.06964	2.3
131.04884	3.5
131.08545	2.0
133.02803	1.3
133.10165	0.8
134.09601	0.8
137.02286	0.9
141.06967	9.7
144.05620	1.5
145.02817	3.6
145.06499	3.5
146.61545	0.7
147.04366	3.6
147.08095	3.4
149.02319	90.3
150.02771	0.8
152.06190	1.7
153.01807	20.6
153.05600	0.6
153.06989	2.2
155.04883	3.2
155.06006	1.0
157.06479	3.5
157.69301	0.9
159.04425	4.7
159.08002	2.0
165.01834	1.3
167.03398	1.4
168.04755	1.5
169.06470	14.2
171.08061	1.1
173.05989	8.7
175.07501	1.0
181.05066	1.0
181.06386	4.1
183.04349	3.7
185.05939	3.1
187.03854	4.3
187.07501	4.0
197.05957	17.8
199.07483	1.4
200.04744	1.0
201.05446	6.5
203.06940	3.6
211.03773	1.3
212.10420	0.8
213.05405	1.3
215.06999	100.0
216.07259	1.6
225.05376	5.8
227.07013	1.1
229.04962	8.1
235.54330	0.7
243.06490	81.5
244.06737	0.8
253.04944	6.8
271.05972	100.0
272.06320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
53.03931	0.5
53.29075	0.3
55.01862	0.7
55.05492	1.0
56.63804	0.3
57.03413	0.4
57.07075	0.4
65.03917	0.5
67.05479	1.3
68.99783	2.6
69.03425	0.5
69.07050	1.3
70.06595	0.4
70.12762	1.2
72.96227	0.3
79.05473	1.2
80.03434	0.3
81.03422	1.9
81.07052	2.3
83.08618	0.6
89.03903	1.5
91.05479	2.1
93.07030	1.3
95.04960	0.6
95.08604	2.0
97.06547	0.4
98.21423	0.4
98.97591	0.4
105.03396	2.9
105.07018	1.7
107.04954	1.9
107.08584	1.4
107.41863	0.3
109.02876	0.8
109.10141	1.5
115.05421	1.3
116.98551	0.4
117.03367	0.5
117.06990	0.5
119.04964	0.4
119.08561	1.3
120.82543	0.3
121.02853	1.0
121.10152	0.7
123.08019	0.4
123.11699	0.6
127.03928	0.4
128.06206	0.5
129.06990	0.7
131.04889	0.6
131.08543	1.2
133.10127	1.3
135.04384	1.1
135.11696	0.7
137.02325	28.0
141.06969	5.4
144.05696	0.7
145.02765	0.4
145.06465	1.4
145.10146	0.6
147.04413	1.0
147.08037	0.4
147.11647	0.9
149.02367	1.8
149.13206	0.5
152.06119	0.6
153.01808	2.9
153.06967	0.9
155.04887	1.3
155.08479	0.5
157.06468	0.5
157.10127	0.4
159.08055	1.1
159.11687	0.9
161.02324	3.7
161.13260	0.8
165.06967	0.8
169.06464	6.3
171.11557	0.3
173.05966	2.0
173.13211	0.4
175.03847	0.4
175.14871	0.4
181.06461	2.6
183.04390	1.1
183.08018	0.7
187.03905	0.4
187.07559	2.1
187.14885	0.5
189.01865	0.4
193.04990	0.6
197.05959	10.0
200.04684	1.8
200.08273	0.4
201.05409	3.2
201.16336	0.5
203.07039	0.6
211.03957	0.5
211.07564	1.0
213.05482	0.6
215.07005	16.5
215.17989	0.6
224.04572	0.5
225.05447	17.7
225.10217	0.6
225.16605	0.4
229.04872	1.4
243.06487	3.7
253.04919	6.0
265.20181	0.3
271.05988	100.0
271.24133	2.8
272.06293	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77276	1.9
55.01876	3.4
55.05490	3.4
56.05045	2.2
56.96561	100.0
57.03423	7.3
57.07064	4.3
60.04529	3.5
60.05634	2.5
60.79076	2.0
61.02914	4.4
67.05486	2.5
68.05032	2.3
68.99775	2.8
69.03417	9.4
69.07053	6.3
70.06257	2.6
70.06593	33.7
70.07404	2.0
70.15263	1.8
70.65128	5.8
71.04968	2.6
71.95244	4.4
72.08133	7.0
72.96032	4.8
73.02898	5.9
74.97595	4.1
79.05486	3.0
81.03383	4.0
81.07068	4.5
82.06561	3.2
83.06096	9.0
84.04506	4.8
84.08119	10.8
84.96037	12.2
85.02902	15.5
86.09708	13.6
87.04476	2.4
91.05786	2.8
92.04993	5.9
93.04507	4.9
94.06561	4.0
95.04964	1.8
95.06071	11.5
96.06390	3.6
97.02888	11.2
97.06518	4.0
98.97578	67.6
99.04443	2.8
101.00864	2.5
102.97032	2.7
109.02853	3.8
110.06033	17.0
110.07158	60.0
110.97549	5.0
111.07499	8.2
112.08727	6.3
112.99185	2.1
116.00309	2.2
116.02502	2.9
116.07087	3.0
116.98611	68.3
118.07370	1.8
119.00169	3.1
119.01916	10.3
119.04933	2.1
120.01997	2.7
120.97991	2.4
123.04424	2.7
124.99086	5.4
125.04821	2.2
127.03900	5.4
128.98604	6.6
129.10223	3.9
130.93291	7.2
131.00101	2.8
131.01852	4.9
133.01727	4.1
133.03444	2.2
134.01207	4.7
134.99646	60.0
135.03198	1.9
135.04349	2.2
136.06177	2.7
136.07515	3.9
137.04584	3.6
137.05978	2.0
138.05507	13.0
139.04942	2.4
139.05971	16.7
139.07040	2.8
140.00150	3.9
140.02295	3.0
140.03319	2.0
140.04572	3.6
140.05627	2.3
143.00159	15.7
144.03340	2.5
144.98033	2.4
145.03456	5.4
146.05992	2.0
146.99622	6.2
148.94337	5.4
149.01253	2.5
152.07022	2.5
153.00688	12.7
154.94144	4.8
156.07654	5.3
156.98080	2.3
158.01314	4.3
158.04865	3.8
158.99658	5.0
160.06419	6.0
161.01219	29.7
161.02527	3.1
161.03032	2.4
162.99141	5.9
163.02791	2.7
163.12259	2.4
165.00735	3.9
168.03619	4.2
171.03383	2.0
171.05156	2.5
172.94098	4.0
172.95349	7.0
173.03004	2.9
174.99117	5.8
175.02670	3.1
175.04396	3.0
176.05959	2.6
177.00681	14.4
177.04179	2.9
178.07559	2.8
179.02254	6.8
180.12115	6.9
182.03334	3.1
184.99216	2.1
186.99062	3.6
187.04376	2.1
189.00607	4.3
189.04315	9.6
190.95203	17.8
190.98524	3.0
191.03853	4.5
192.98656	3.3
193.00238	8.1
201.00684	5.2
205.00157	8.0
206.07013	8.6
207.05357	7.4
207.13223	5.5
208.14389	3.8
208.96458	12.1
208.99677	3.1
216.96954	4.5
219.01762	4.5
223.01213	9.4
224.07985	10.5
224.13876	2.5
224.51743	2.2
225.14302	22.2
226.15489	5.9
230.06955	23.1
232.96472	6.9
234.97775	3.8
234.99770	5.5
237.02853	3.6
244.96933	2.4
248.08064	61.6
248.99156	4.9
250.97412	4.7
253.09474	2.9
254.15010	4.6
262.97549	3.7
264.95517	4.7
266.09253	4.5
267.00201	8.8
271.05823	13.7
271.10114	2.3
271.14816	48.6
271.17661	3.7
271.26236	2.9
272.09827	2.5
272.15991	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	270.1486
Annotation	Mepronil
Peak:m/z	Relative Intensity
50.03184	0.4
65.03912	0.6
68.99776	0.9
70.06579	1.1
70.15904	1.6
72.08154	0.5
79.05486	1.0
79.70567	0.3
81.07033	1.2
86.09660	0.4
89.67012	0.3
90.25926	0.3
91.05471	30.7
92.05789	0.4
93.05761	0.5
93.07038	1.0
94.06526	0.4
95.04938	2.3
105.07017	0.8
107.04957	0.6
107.08573	0.5
109.06488	0.6
110.07132	0.3
115.05419	0.5
115.06779	0.3
117.07019	2.2
118.06530	11.6
119.04934	15.0
119.07311	10.5
124.08040	0.3
132.08081	1.0
134.09637	100.0
134.35770	0.4
135.09958	0.7
137.05969	4.8
155.04875	0.4
197.05919	0.7
201.05440	0.7
215.07074	0.6
229.04926	0.9
243.06471	0.5
270.14862	51.7
271.05988	4.0
271.15054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	6alpha,7beta-Dihydroxydiihydrodrimenin
Peak:m/z	Relative Intensity
53.03934	2.4
55.01867	2.4
55.05508	65.2
57.03436	9.1
57.07064	5.8
59.05002	11.6
67.05504	23.8
69.03416	3.4
69.07062	10.5
70.00662	8.6
71.04974	5.3
77.34136	1.6
79.05486	14.0
81.03387	2.2
81.06591	3.3
81.07050	52.4
82.03741	2.6
83.04974	30.4
83.08603	8.2
85.06525	4.5
91.05478	8.8
93.07038	20.0
93.79672	1.8
95.04958	2.4
95.08597	17.6
97.06507	4.3
97.10146	2.2
99.04420	2.9
99.08080	9.1
101.06012	96.8
104.64426	1.9
105.07011	8.2
107.07880	3.0
107.08583	47.4
109.06507	4.5
109.10151	3.3
111.08103	4.5
117.07036	3.6
119.08568	8.0
120.26475	1.8
121.09360	2.0
121.10109	10.5
123.11696	100.0
124.12016	2.2
125.09604	4.5
127.07536	16.3
129.05466	33.6
131.08563	7.2
133.10141	12.8
135.08043	2.7
135.11682	7.0
141.12723	5.5
145.10100	3.1
147.06490	2.6
147.11700	4.9
149.09567	3.1
149.13266	13.3
153.09099	3.8
159.11681	6.1
169.08194	2.0
171.11600	2.8
173.13248	7.3
175.11180	2.8
177.12775	2.3
181.12135	1.7
187.14804	2.1
191.14316	16.7
193.12242	3.6
197.04301	1.8
197.13200	3.3
209.15358	5.8
215.14334	3.4
222.66292	1.7
233.15288	12.5
251.16365	18.3
269.08121	11.4
269.17331	14.9
269.22525	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.9
54.50207	1.2
55.01848	2.4
55.05508	22.0
57.03433	34.8
57.07057	5.2
65.03929	2.6
65.46740	1.0
67.05497	75.8
69.03413	1.7
69.07062	28.9
71.04990	6.9
71.08581	1.3
71.52383	2.3
71.73313	1.2
79.05486	47.9
81.03403	3.1
81.07046	100.0
82.07356	1.7
83.04974	11.0
83.08607	21.2
83.44907	1.2
85.06525	6.4
90.65734	1.1
91.04918	1.1
91.05468	24.6
93.07036	69.0
95.04961	7.2
95.08072	1.7
95.08598	22.1
97.06519	15.9
97.10159	2.7
99.04388	1.2
99.08084	5.5
105.04455	1.8
105.07019	12.8
107.07887	2.3
107.08579	37.0
109.06486	4.9
109.10162	6.4
111.08063	9.0
117.06342	1.2
117.07010	12.5
119.08574	6.2
121.06445	1.8
121.10131	19.8
123.08039	1.2
123.11651	4.8
129.06947	2.2
131.08556	12.2
132.90286	1.1
133.10124	13.4
135.08008	1.6
135.11673	14.0
139.11150	2.0
143.08521	1.7
145.10075	2.0
147.11639	2.7
149.09595	2.3
149.13240	43.6
151.11121	3.2
156.09317	1.4
157.10011	2.0
159.10480	1.8
159.11676	22.4
161.13255	2.0
173.13217	1.1
175.11160	1.5
177.12735	11.3
183.11462	1.2
195.13782	13.3
199.14723	1.6
225.97949	1.1
242.68933	1.3
269.07898	4.5
269.17361	43.8
269.22464	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	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.99151	1.1
53.03936	3.1
55.01857	4.0
55.05505	21.2
57.03159	1.9
57.03431	34.2
57.07082	5.6
59.04982	1.2
59.91123	1.2
65.03915	3.4
66.50536	1.0
67.05496	77.1
69.03409	2.2
69.07062	32.1
70.42596	4.0
71.04980	7.5
71.08625	1.5
76.78396	1.2
79.05482	46.6
79.21039	1.1
81.03419	2.4
81.07045	100.0
82.07364	1.2
83.04968	12.8
83.08608	18.3
85.06533	5.5
89.94167	1.0
91.05472	23.6
93.07030	73.6
95.04964	6.8
95.08598	27.4
97.06519	16.4
97.10149	3.4
98.20842	1.4
99.04441	1.5
99.08104	5.6
105.07019	10.3
107.04929	1.6
107.07883	2.3
107.08586	37.9
109.06472	4.5
109.10133	6.9
111.08061	8.4
111.11732	1.2
113.09630	1.3
115.05467	1.2
117.06995	10.5
119.08548	5.6
121.06482	1.9
121.10123	22.5
123.07963	1.6
123.11676	3.7
125.09632	1.3
129.06970	1.2
131.08531	11.8
133.10107	12.3
135.08038	3.2
135.11671	10.9
137.09720	1.1
139.07460	1.3
139.11147	1.5
145.10060	2.9
147.11646	2.0
149.09631	3.0
149.13242	43.5
151.11160	1.6
157.10124	1.7
159.11679	17.1
167.14279	1.6
171.11674	2.0
177.12704	9.0
186.10211	1.2
189.02419	1.0
195.13789	11.8
197.13306	1.4
199.14844	1.2
233.15170	1.3
251.16368	1.6
264.89963	1.0
269.04254	1.3
269.08051	1.9
269.17432	38.4
269.22574	4.2
270.24124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03943	2.1
55.01859	1.8
55.05507	62.4
57.03416	7.6
57.07064	5.0
57.36758	1.8
59.04993	12.9
62.55447	1.6
66.29295	1.6
67.05496	21.6
69.07059	11.2
69.92659	7.6
69.96354	1.8
71.04976	6.5
79.05479	13.1
81.03416	2.2
81.07049	47.9
81.07529	2.8
83.04977	33.4
83.08595	8.6
85.06548	2.5
91.05486	10.6
93.07042	15.0
95.04963	2.2
95.08604	15.6
97.06514	5.7
97.10157	2.3
98.21412	2.9
99.04446	4.6
99.08080	8.0
101.06011	100.0
105.07031	8.1
107.08588	44.5
109.06517	1.7
109.10143	4.6
111.08073	4.9
117.07037	3.8
119.08553	7.0
121.10129	10.6
123.08067	3.4
123.11694	97.6
124.11986	1.9
125.09615	3.2
127.07537	17.2
129.05475	30.1
131.08563	7.7
133.06464	1.7
133.10115	12.3
135.08023	2.5
135.11679	5.1
141.12793	3.5
145.10127	4.5
147.06512	2.6
147.11650	3.8
149.09641	2.5
149.12221	1.9
149.13184	10.2
153.09079	5.4
157.10112	2.5
158.10922	2.3
159.11691	3.5
163.11203	2.6
163.14774	3.0
171.11620	3.5
173.09729	2.3
173.13272	9.8
175.11157	5.2
181.12151	2.6
191.14302	20.9
193.12221	4.9
195.10078	3.2
209.15369	5.2
215.14250	2.2
233.15399	10.3
251.16469	15.0
269.07904	9.2
269.17313	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.28866	1.5
52.03588	1.5
53.03947	3.1
55.01865	3.3
55.05507	21.9
57.03160	1.8
57.03434	34.6
57.07058	5.8
65.03928	3.8
67.05498	73.6
69.07058	28.9
70.06000	2.0
71.04975	6.9
71.52147	1.6
71.52547	2.6
79.05486	46.0
81.03402	2.3
81.07047	100.0
83.04973	10.2
83.08609	19.3
85.06521	6.3
89.53262	1.9
91.05479	23.2
93.07034	71.3
95.04972	8.2
95.08591	24.0
97.06525	18.0
99.04408	2.2
99.08073	4.8
105.07005	10.7
107.04913	2.0
107.08576	39.8
109.06532	3.1
109.10117	6.8
110.24940	1.7
111.08054	10.5
111.21451	1.7
113.05946	2.1
117.07034	9.3
119.08569	3.8
121.10124	19.8
123.08041	2.9
123.11691	4.8
127.07552	2.1
129.06966	1.8
130.56444	2.2
131.08568	8.9
133.10104	12.2
135.08025	2.4
135.11678	13.4
139.11143	2.4
145.10117	2.2
147.11699	1.7
149.12039	2.4
149.13252	43.3
157.10127	2.6
159.11671	17.2
160.12012	1.8
177.12715	9.4
183.78070	1.6
186.56474	1.7
194.51357	1.5
195.13744	15.6
213.12975	2.3
220.05251	1.6
269.08075	8.2
269.17401	39.1
269.22430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	3.0
55.01853	4.2
55.05275	1.6
55.05506	19.8
57.03159	1.7
57.03430	31.2
57.07071	3.5
65.03915	2.8
67.05499	78.8
69.03416	2.1
69.06690	1.4
69.07064	27.8
69.25157	5.7
69.25589	7.8
71.04973	4.6
71.08616	1.6
79.05484	47.1
81.03417	1.6
81.07050	100.0
82.07325	1.5
83.04972	9.7
83.08149	1.9
83.08607	21.4
85.06532	6.8
91.04912	1.7
91.05470	26.5
93.07034	70.7
95.04954	9.7
95.08603	27.6
97.06519	14.5
97.10117	1.6
99.08076	3.9
105.07030	11.1
107.04859	1.8
107.07883	2.5
107.08580	39.3
109.06516	4.1
109.10123	3.9
110.64103	1.4
111.08053	10.0
117.07015	11.7
119.08537	2.9
121.06501	2.2
121.10136	23.6
121.42902	1.4
123.11680	4.5
131.08553	13.4
133.10136	14.9
135.08025	3.5
135.11661	10.1
139.07526	1.5
139.11121	2.1
145.10063	1.4
147.11665	2.3
149.13242	46.4
151.11166	2.2
153.09126	1.6
157.10110	2.1
159.11679	22.4
159.94060	1.5
167.14365	2.2
177.12753	9.7
186.18066	1.4
195.13756	13.5
213.14812	2.4
269.08011	2.6
269.17438	53.2
269.22299	1.9
270.17889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1607
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
52.43263	0.4
53.35165	0.3
55.01871	0.9
56.05032	1.7
56.96294	0.6
56.96559	7.9
57.03434	1.0
60.04519	13.1
61.02917	1.3
67.05508	0.6
69.03432	1.5
69.07060	0.5
70.02940	0.5
70.06586	1.2
70.98107	0.3
71.51540	0.3
71.51960	0.5
72.08131	0.6
73.02904	1.0
81.03387	0.8
81.04533	1.3
82.05311	0.5
83.04994	0.6
83.06095	9.3
84.04520	0.4
84.08125	1.7
84.96024	0.4
85.02920	1.7
86.09693	3.2
87.04462	0.4
87.05560	0.5
88.03999	0.6
91.05473	7.2
93.04516	5.9
95.04972	0.5
95.06092	2.4
96.04442	0.4
97.02892	1.8
97.99189	0.5
98.97566	5.0
100.02435	0.3
101.00862	0.8
107.04951	0.7
110.07155	100.0
110.97556	0.8
111.07519	0.5
114.05548	0.6
115.02428	1.0
115.03960	0.4
116.07101	0.6
116.98616	3.7
119.01914	3.6
119.04926	7.4
122.07153	1.1
123.04417	3.6
123.05282	0.5
127.03887	0.8
128.98615	1.2
129.10266	0.5
131.01929	0.7
133.03462	1.0
134.99664	1.6
135.06790	0.6
136.07565	35.8
137.02936	1.0
137.04570	0.9
137.06552	0.9
138.05493	7.8
138.06607	2.8
139.04001	0.3
142.03482	0.4
143.00133	0.8
143.01828	0.6
145.03500	0.5
145.04945	0.5
146.99641	1.2
147.04317	0.7
148.07648	0.4
152.07034	0.8
155.99648	0.4
156.07677	16.4
158.99666	0.4
160.07603	0.5
161.01230	0.4
165.00735	0.4
165.05472	6.3
166.04880	0.4
166.06123	0.8
168.98079	0.4
173.01117	0.6
173.03003	0.4
174.00711	0.5
175.02873	0.4
175.05409	0.7
177.00784	0.6
178.08601	0.7
178.13373	2.8
182.03432	0.3
182.08115	11.4
182.99609	0.4
185.02937	0.5
186.99007	0.6
187.00510	0.7
188.97116	0.4
189.00746	0.6
197.00966	0.4
201.00706	0.6
205.00066	0.6
206.12907	0.6
215.00423	0.6
215.99403	0.4
219.01717	0.8
221.04987	0.4
223.10757	3.7
223.15503	6.3
224.09227	0.6
224.13885	1.6
232.82271	0.4
234.12341	0.6
237.02879	0.5
245.03645	0.7
247.03012	0.6
251.10550	1.0
251.14999	7.5
269.11438	3.0
269.16061	15.0
270.14542	2.3
286.97592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1335
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.01870	1.1
56.05029	19.3
56.96552	1.3
57.03433	3.4
58.06593	4.0
59.13966	0.6
59.16718	0.6
60.04510	0.8
67.05501	1.2
67.55917	0.6
69.03416	0.7
69.07065	0.9
70.06599	0.8
70.35166	2.8
71.08628	0.8
72.08157	0.8
74.06069	100.0
75.02245	0.7
75.04459	1.0
78.24041	0.7
79.05480	1.0
81.07072	0.9
84.04498	4.9
84.08141	1.6
85.02895	0.8
91.05478	2.4
93.07056	1.3
95.08613	1.6
97.02900	1.2
98.97576	1.7
101.07087	1.6
103.05464	2.9
105.03410	0.8
105.07066	1.0
107.04936	1.5
109.10119	0.7
116.98626	1.3
119.08610	0.8
120.08086	55.5
121.06477	0.9
131.04918	1.5
136.06184	6.4
143.00232	0.7
146.05994	1.4
149.05913	0.8
155.47023	0.8
158.09737	0.9
166.08615	36.7
169.26019	0.7
173.02895	0.7
176.10692	0.9
203.11688	1.0
206.11720	1.4
221.12842	7.8
226.13097	0.7
249.12460	3.3
267.13336	8.5
268.97931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03941	3.5
55.01859	3.3
55.05505	7.3
57.03154	1.2
57.03434	21.4
65.03927	1.2
67.05174	1.2
67.05502	13.5
69.03420	3.0
69.07062	3.4
70.30751	1.2
70.31123	2.5
71.04980	2.2
79.05491	13.4
81.03412	100.0
81.07048	13.9
83.04976	6.5
83.08608	14.7
91.05476	19.1
93.07042	9.3
95.04961	24.0
95.05569	1.2
95.08602	6.1
97.02887	2.5
97.06523	1.7
97.10165	1.9
99.04431	1.1
105.07027	13.8
107.04962	4.3
107.08571	3.3
109.06514	3.2
109.10110	1.4
111.04413	1.1
111.08061	6.5
115.05488	1.0
116.06199	0.7
117.07013	1.5
119.04916	1.0
119.08578	12.8
121.06537	1.2
121.10132	6.0
123.08080	2.4
125.09550	0.9
129.06993	9.6
131.08560	7.9
133.06465	2.7
133.10114	4.0
135.11641	0.8
137.09601	1.4
142.07762	2.7
145.10086	1.5
147.08041	2.7
147.11685	6.9
149.09596	4.5
149.30804	0.8
157.10132	8.4
163.11246	1.0
165.12732	2.3
175.11166	8.8
181.59366	0.7
193.12222	20.6
193.13895	1.5
198.41418	0.7
205.12183	1.0
211.13243	2.6
249.14830	2.4
267.15884	45.8
285.09998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03939	3.6
55.01861	1.8
55.05508	7.2
57.03430	21.3
67.05498	11.1
69.03436	1.1
69.07059	3.1
69.52510	4.9
71.04971	1.4
76.57938	0.7
79.05485	12.4
81.03408	100.0
81.07049	12.2
83.04981	6.5
83.08611	12.5
91.05470	18.2
93.07035	6.6
95.04961	20.5
95.08591	4.6
97.02888	2.6
97.06529	1.5
97.10163	1.5
98.20797	0.7
98.98528	0.7
105.07015	13.7
107.04953	5.1
107.08589	2.9
109.06502	3.6
109.10164	1.6
111.04432	0.8
111.08071	6.5
115.05416	1.6
119.08571	12.3
121.06514	1.4
121.10142	4.1
123.08025	2.0
128.06169	0.8
129.06999	7.2
131.08539	7.0
133.06497	3.2
133.10104	4.0
136.06155	2.0
137.09586	1.3
142.07784	2.0
145.10020	1.9
147.08009	2.9
147.11670	7.3
149.09607	4.0
157.10091	9.4
163.11197	0.7
165.12758	2.0
168.72722	0.7
175.11159	8.5
178.89018	0.8
193.12206	19.4
211.05954	1.4
211.13292	2.4
249.14847	1.0
267.15872	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01851	0.5
57.03420	0.4
62.99183	0.2
69.03425	0.3
69.36485	0.2
72.96461	0.2
73.02901	0.4
85.02901	0.3
88.29205	0.2
94.04034	0.4
97.02921	0.3
115.03949	0.3
119.03558	0.9
124.76518	0.2
133.05023	0.2
136.06171	100.0
137.04581	0.6
137.06497	0.5
138.07626	0.2
268.10388	5.6
279.68011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03416	0.4
62.14474	0.3
68.04677	0.2
69.85681	1.4
94.04023	0.3
106.16704	0.3
119.03549	1.0
136.06169	100.0
137.04610	0.6
137.06517	0.4
165.52327	0.3
193.70328	0.3
200.18027	0.3
268.10400	6.3
268.13263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46594	0.7
68.65537	0.6
69.66068	4.7
94.92995	2.7
98.20847	1.1
100.79070	0.7
107.72773	0.6
112.16214	0.7
112.88847	1.1
112.89593	14.7
114.89297	1.3
116.89066	0.8
134.96060	1.3
136.93999	6.3
162.95587	5.0
164.93481	2.0
173.02869	0.7
178.95139	0.9
192.99838	1.5
204.96619	0.9
210.08621	0.9
250.97235	1.6
268.98221	100.0
282.88797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1132
Annotation	H-Ser-Tyr-OH
Peak:m/z	Relative Intensity
53.03914	1.0
55.01860	1.4
56.05016	1.7
56.96295	1.2
56.96557	15.7
57.03419	2.2
60.04520	65.9
61.02904	1.2
67.05499	0.9
68.05041	0.8
69.03429	2.1
69.07063	0.9
69.22416	9.2
70.06580	3.3
70.98091	0.9
72.08134	1.7
73.02923	0.8
79.05486	1.0
81.04533	1.6
83.06097	9.2
84.04494	1.5
84.08110	4.7
84.96013	1.6
85.02880	3.0
86.09694	4.8
87.05586	2.6
91.05470	9.2
93.04529	7.3
95.04970	2.0
95.06065	2.4
97.02879	2.5
98.97585	7.3
103.05457	0.9
107.04927	2.3
110.07156	100.0
110.97528	1.5
115.02404	1.3
116.98603	7.8
119.01896	3.2
119.04922	14.5
121.06503	1.4
123.04424	19.3
127.03936	1.2
128.98576	1.5
129.10242	1.2
131.01884	0.8
133.03473	2.4
134.05998	1.0
134.99625	4.6
136.06189	11.2
136.07555	66.2
137.04582	45.9
137.06596	9.4
137.08023	0.8
138.05467	8.0
138.06613	3.2
146.99571	1.6
147.04323	8.4
152.07040	1.8
155.99637	5.3
156.07666	18.9
158.99635	1.3
160.07536	3.6
161.01183	1.3
161.02905	1.1
163.03951	1.5
165.05464	31.1
166.06104	0.8
174.00714	8.6
174.04288	1.1
178.08583	2.9
178.13283	1.4
182.08110	65.2
186.96886	1.2
189.00697	0.9
190.95313	0.9
192.01730	1.8
197.40248	1.0
199.04506	1.2
201.00775	0.9
223.10762	22.3
223.15416	6.7
224.13914	1.1
251.10378	5.5
251.14917	7.1
255.01974	0.9
269.08102	1.7
269.11191	10.2
269.16043	15.1
270.14288	1.5
271.00003	0.9
286.97443	0.8
287.09155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12879	0.1
69.95634	0.3
69.96034	0.5
82.99856	0.3
94.96089	0.1
98.20849	0.2
98.97659	0.1
101.00863	2.2
112.29343	0.1
119.01906	11.5
120.01982	0.2
122.97764	0.2
134.99867	0.8
137.02940	3.1
140.98785	0.3
142.03502	0.2
152.97275	0.1
153.00938	0.5
158.99878	1.1
160.04555	0.1
165.99686	0.3
175.02994	0.3
177.00931	23.4
178.01004	1.1
182.99889	0.5
193.04030	0.3
195.02023	0.5
200.02536	0.4
201.00873	1.3
201.02444	0.2
217.04065	3.3
218.03751	0.2
219.01978	28.3
220.02159	1.6
221.01909	0.3
225.00854	2.2
234.00714	0.2
237.02850	0.1
242.03653	0.7
243.01939	8.0
244.02116	0.2
247.35350	0.2
260.04532	0.2
261.03027	100.0
262.03162	3.6
263.03430	0.5
266.03500	0.3
275.04672	0.2
284.04691	3.6
285.04773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13277	1.3
53.03925	2.9
55.05492	3.7
55.10339	1.1
57.03415	2.7
57.07072	1.7
66.82230	1.2
67.05480	2.3
69.07056	2.3
70.06573	4.3
70.77340	2.4
70.77672	1.8
71.04985	1.1
71.08611	1.6
72.08112	1.9
74.69500	1.2
79.05478	3.4
81.03413	11.9
81.07050	9.5
83.04984	1.5
83.08574	2.0
87.00824	34.5
94.06559	7.2
99.08079	3.0
105.01205	2.0
105.01855	24.7
105.03358	1.7
107.04960	1.7
109.02143	2.3
109.02872	39.2
109.06473	4.3
110.05970	1.6
118.71294	1.3
120.08018	1.5
122.06026	8.9
123.06799	11.1
127.07540	11.2
134.05980	2.9
138.04463	2.7
138.05486	37.2
140.07013	1.3
145.06578	1.5
145.08566	3.5
150.05484	27.0
151.06294	18.2
152.07036	4.5
163.03830	4.1
164.04279	6.3
168.06551	100.0
169.03557	1.8
169.07381	6.8
176.07021	1.3
186.01537	1.4
192.03772	1.8
202.12193	1.8
203.09116	2.1
204.10164	1.7
207.06592	1.4
209.04211	1.3
210.04805	2.5
220.10417	1.2
220.13269	5.2
230.11737	3.0
231.08603	29.1
238.11494	1.3
248.09911	3.3
248.12737	10.9
261.54160	1.3
266.10864	7.9
266.13806	45.5
267.13959	2.0
270.93774	1.2
284.87430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.38290	0.3
55.05506	0.5
57.03418	0.3
59.04990	1.0
61.02933	1.6
70.06586	1.1
70.78885	0.8
71.04984	2.0
79.05481	0.8
79.55145	0.2
81.03410	4.5
81.07047	3.2
84.04470	0.2
91.05457	0.5
94.04039	1.2
99.64186	0.2
105.07022	0.4
106.32205	0.2
107.04939	0.3
109.02864	14.4
112.07603	0.5
119.03535	2.1
120.08162	0.3
122.94112	0.2
130.05022	0.2
133.06479	0.3
136.06169	100.0
137.04573	2.1
137.06607	0.4
145.10126	0.3
150.07693	0.5
166.94205	0.3
186.01660	0.3
188.33940	0.3
228.92987	0.2
234.13478	18.9
248.12984	0.4
250.61789	0.2
266.16080	48.1
267.06369	0.5
267.16202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1224
Annotation	Papyracon D
Peak:m/z	Relative Intensity
53.03951	0.5
55.01863	0.9
55.05491	1.3
57.03203	0.4
57.03434	5.0
65.03930	0.7
67.05232	0.3
67.05492	3.6
68.99775	1.6
69.03418	0.5
69.07056	1.1
70.83498	1.0
71.04970	0.5
76.50629	0.4
77.03931	0.8
79.05489	4.0
81.03410	22.0
81.07046	3.6
83.04966	1.7
83.08611	2.8
91.05473	5.3
93.07033	2.4
95.04957	5.7
95.08585	1.4
97.06519	1.4
97.10142	0.4
99.04478	0.4
105.03374	2.5
105.07004	3.9
107.04910	2.1
107.08565	1.1
109.06489	2.1
111.04431	0.4
111.08063	1.3
119.08564	3.2
121.06488	0.9
121.10111	1.8
122.03664	0.5
123.04411	1.1
123.08035	0.5
125.06010	0.4
129.06990	2.2
131.08542	1.9
133.02840	4.2
133.06450	0.5
133.10110	1.0
135.04396	1.9
136.06155	0.8
137.05920	1.3
142.07806	0.6
145.10042	0.4
147.08008	0.9
147.11693	1.8
149.02307	0.5
149.09621	0.7
151.03860	1.9
153.05458	1.6
157.10068	2.2
161.02303	4.0
165.05458	10.5
165.06868	0.6
165.12724	0.5
175.11160	1.9
178.02580	2.4
193.04944	100.0
193.12170	3.8
194.05241	2.3
209.11726	0.6
211.05984	35.1
211.13263	0.9
212.06407	1.0
221.11742	1.3
245.95940	0.4
249.11249	3.7
249.14847	0.5
267.12283	2.3
267.15884	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	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35622	0.6
51.33878	0.7
53.03936	2.0
53.44890	0.6
54.52539	0.6
55.01856	1.7
55.05507	5.2
56.96563	1.3
57.03433	9.0
57.07045	1.0
58.77421	0.7
65.03921	0.8
67.05502	8.5
68.99777	2.1
69.03427	1.6
69.07050	3.3
70.07766	2.2
70.08180	1.5
71.04969	2.3
77.03907	1.3
77.36517	0.7
79.05481	8.6
81.03410	37.8
81.07030	8.4
83.04964	2.1
83.08607	5.2
84.76817	0.7
85.02894	2.2
85.06503	1.6
91.05472	9.7
93.07028	6.2
95.04958	9.3
95.08611	4.1
97.02874	2.1
97.06501	1.6
97.10148	1.2
98.21468	1.1
99.04447	1.9
99.08102	1.0
101.05993	0.8
103.05469	0.9
105.03367	2.1
105.07016	8.3
107.04948	10.1
107.08581	4.1
108.82914	0.7
109.06491	2.9
109.10130	2.7
111.08076	3.1
112.00305	0.7
115.05431	1.0
117.06966	1.3
119.08576	8.2
121.06499	2.3
121.10126	4.1
123.04391	3.3
123.08026	0.9
123.11717	1.7
125.05938	1.6
127.07574	0.8
129.06992	3.6
131.04909	0.8
131.08588	3.4
133.02849	4.5
133.06451	1.2
133.10077	1.8
135.04382	2.0
135.08002	1.6
135.11674	1.4
136.06203	1.9
136.50137	0.8
137.05942	1.8
137.09607	1.2
142.07729	1.9
145.10135	2.0
147.07999	2.3
147.11682	4.6
149.09612	2.7
151.03851	1.8
151.07605	1.1
153.05432	2.0
157.10130	3.9
159.11632	1.1
161.02322	4.9
161.05943	0.8
161.13298	1.5
163.07475	1.7
163.11169	1.5
165.05473	11.6
165.09177	1.1
165.12654	1.0
175.11150	4.0
178.02592	2.4
189.12775	0.8
191.07030	3.9
193.04941	100.0
193.12163	7.0
194.05295	2.4
201.12659	0.7
207.13771	1.2
211.05988	34.2
211.13237	0.9
213.12756	0.9
221.11617	1.4
221.15369	1.1
223.09641	4.7
223.22485	3.5
231.13797	1.9
249.11101	4.1
249.14833	2.8
263.70862	0.8
267.06433	1.2
267.12289	2.4
267.15836	17.1
267.25082	1.9
285.09979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	1.0
55.05492	1.1
56.05022	1.0
56.96556	8.8
57.03420	1.4
57.07069	0.5
60.05619	0.4
60.95833	0.8
61.01131	0.6
61.02905	1.3
65.03890	0.4
67.05491	0.7
68.05015	0.5
69.03422	2.3
69.07041	0.7
70.06586	3.1
70.98129	0.3
71.04982	0.7
71.51802	0.6
72.08149	1.9
73.02914	1.1
80.05008	1.2
81.03390	1.1
81.04530	13.4
81.07048	0.6
84.04488	1.8
84.08133	3.6
84.96006	0.8
85.02903	3.2
86.09702	2.3
87.04437	0.7
88.03965	0.5
89.03886	0.5
91.05473	0.5
95.04943	0.4
95.06095	0.5
95.08557	0.6
97.02896	2.9
98.97562	6.8
99.04433	0.7
101.00893	0.4
102.96903	0.5
103.00616	0.8
107.04950	0.5
109.02931	0.5
110.07166	1.3
110.97547	0.7
112.08758	0.4
112.99136	0.5
113.02934	0.8
115.08692	0.4
116.07069	0.9
116.98612	5.3
119.01868	1.6
119.08545	0.4
120.97901	0.8
121.01633	2.4
122.07136	100.0
123.07477	1.1
126.03709	1.2
127.03890	1.1
128.02296	0.7
128.98587	1.6
129.10217	1.1
130.04964	0.6
131.00133	1.7
131.01863	0.8
133.01659	1.6
134.99666	3.7
135.04448	0.6
135.06784	0.5
136.06175	1.4
139.02704	0.9
139.03857	0.5
142.98413	0.3
143.00130	0.5
143.01897	0.5
143.11894	0.4
144.04768	28.4
145.01578	1.9
145.05003	0.6
146.06029	0.5
146.99597	1.6
147.03235	0.4
147.04333	0.5
149.01198	2.6
149.02867	0.5
149.05939	0.7
151.02687	0.4
153.00648	0.4
155.04645	2.0
157.01610	0.8
158.99591	1.0
159.03242	0.4
161.01196	1.3
161.02879	0.7
162.99059	0.8
163.02660	7.0
163.03845	0.8
165.00623	0.5
165.04346	0.4
167.02324	0.6
173.01329	0.5
173.02847	0.4
175.02734	2.8
175.04338	0.5
177.00705	2.1
179.02272	0.4
184.04875	1.2
187.02795	0.7
189.00659	0.6
193.00203	0.6
193.03801	1.2
201.00620	0.6
204.97832	0.4
205.00160	0.7
205.03688	1.9
211.01155	0.5
213.00720	0.4
215.46373	0.4
219.01848	1.3
219.05196	0.7
223.01201	0.9
223.04893	1.6
237.02792	0.9
241.02090	0.6
241.05948	0.5
242.00986	0.4
242.03392	0.6
247.01117	0.5
261.02991	1.3
265.02356	0.6
265.05933	2.7
265.10938	2.1
282.96628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1543
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03921	0.5
55.05503	12.8
56.05014	0.4
57.05807	1.0
66.96098	0.3
70.06573	0.8
70.77614	0.5
70.77949	0.4
70.94787	0.3
72.08144	100.0
73.08474	0.3
81.03405	0.3
84.04482	1.0
86.09695	0.5
91.05477	0.6
94.03957	0.4
97.40280	0.3
98.22807	0.3
103.05460	0.6
109.02899	0.5
110.07146	0.3
120.08093	12.3
120.08954	0.7
122.07130	0.7
130.04999	1.2
136.06169	0.9
147.04443	0.6
166.08620	9.7
177.05495	0.4
186.39044	0.3
187.07738	0.3
219.14940	0.5
247.09647	0.6
257.00931	0.3
265.07059	0.6
265.11002	0.9
265.15475	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	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03931	3.9
55.01839	1.7
55.05505	57.2
57.03423	4.2
57.07066	27.6
65.03905	1.6
67.05497	61.1
69.07059	89.1
69.35349	3.6
69.35758	11.6
70.07365	1.3
71.04974	5.1
71.08624	12.6
74.21630	1.3
75.61081	1.3
79.05488	33.4
81.03398	1.4
81.07047	72.1
83.04949	2.3
83.08613	59.5
85.06506	5.7
85.10174	8.3
91.05471	6.9
93.07032	41.3
95.04964	2.8
95.08594	71.2
97.06522	21.1
97.09560	2.1
97.10157	40.0
99.08068	5.8
105.07013	1.9
107.08579	28.5
109.10143	32.9
111.08062	14.2
111.11707	13.4
113.09611	2.8
119.08568	1.5
121.10125	59.3
123.11685	13.4
125.09606	3.5
125.13231	3.2
135.11678	40.6
137.13245	5.5
139.11180	2.8
149.13225	20.4
151.14807	8.8
154.21463	1.4
155.14317	1.6
155.77185	1.4
163.13658	1.8
163.14778	9.6
165.16354	5.3
169.15733	1.9
177.16335	4.0
179.17847	2.1
191.17966	2.6
205.19565	2.3
247.24203	42.6
265.25226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
53.03927	1.0
55.01862	1.0
55.05490	0.5
55.54031	0.4
57.03396	0.5
59.37634	0.4
65.03922	1.0
65.27803	0.4
67.05495	2.0
68.99774	1.1
69.07059	39.9
69.52866	1.3
69.53287	1.6
77.03922	0.9
79.05482	10.3
79.63100	0.4
81.03407	1.3
81.07035	0.7
89.03877	0.4
91.05466	4.0
92.02617	0.6
93.03395	0.4
93.07009	0.9
95.04959	4.0
95.08538	0.5
97.02849	0.4
97.06494	0.6
99.04425	0.5
103.05489	0.5
103.15031	0.4
105.03397	0.9
105.06999	1.5
107.04943	20.9
107.08591	0.5
109.02848	1.3
109.06492	0.6
111.04435	0.7
115.05389	0.4
117.03395	0.6
117.07037	1.0
119.04929	1.3
119.08557	0.5
121.02853	3.1
121.06480	1.4
123.04426	1.3
131.04897	0.9
131.08560	1.3
133.02844	2.6
133.06464	0.5
134.03621	1.2
135.04396	23.1
137.02289	0.6
141.10878	0.4
143.08536	0.8
145.10088	1.1
147.04402	1.5
147.07928	0.6
148.01515	1.4
149.02310	1.7
149.05994	0.8
151.03865	1.9
153.05440	1.9
155.08481	0.7
158.07281	0.4
159.08012	0.8
161.05991	1.1
161.09557	0.5
162.03082	0.9
163.03880	100.0
163.11130	2.0
164.04262	0.9
164.58461	0.4
165.05466	1.0
167.03474	0.9
173.09651	0.8
175.03787	0.5
177.05476	4.8
177.09032	0.7
177.12901	0.6
179.01833	0.7
179.03369	10.9
181.04944	1.8
187.07526	0.5
189.05486	1.3
191.03362	35.1
191.10663	4.2
192.04037	0.7
193.04936	6.7
195.22807	0.4
197.04463	1.2
201.09053	1.1
204.07793	0.5
205.04951	2.9
209.04422	47.2
210.04782	0.6
214.06149	0.7
217.08519	1.3
219.06531	1.2
219.10135	14.3
219.13570	0.8
229.08673	0.8
247.09630	24.5
265.10672	53.1
266.10950	0.7
280.91599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
53.03935	1.2
55.01869	0.8
65.03931	1.0
67.05492	1.4
69.07063	42.5
71.11544	1.1
79.05487	11.0
91.05479	3.3
91.17422	0.6
93.03384	0.5
95.04957	4.6
105.03474	0.5
105.07008	1.2
107.04949	21.3
107.08605	0.7
119.04914	1.1
121.02866	3.0
121.06510	1.8
123.04394	0.9
131.04964	0.6
131.08543	1.0
133.02843	1.8
133.06499	0.8
134.03633	2.0
135.04401	23.5
135.05434	1.2
145.10110	1.4
147.04385	1.3
148.01514	1.3
149.02354	1.1
149.05934	0.9
151.03912	1.7
153.05440	2.2
158.07236	0.8
159.08003	1.1
161.05991	0.6
162.03169	0.6
163.03891	100.0
163.11157	3.6
164.04366	1.0
165.05333	0.6
167.03426	0.6
173.09659	1.0
177.05429	3.2
179.03374	11.3
181.04942	1.5
187.07515	0.9
189.05515	1.3
191.03374	34.8
191.07010	1.2
191.10623	4.6
192.04030	1.1
193.04924	2.4
197.04443	1.0
201.09129	1.5
205.04967	2.8
209.04436	45.5
210.04631	0.6
214.06206	0.9
217.08575	0.5
219.06734	1.0
219.10138	16.5
229.08629	1.3
247.09636	26.6
265.10693	55.9
266.11090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44912	0.3
55.01852	0.5
55.05486	0.7
56.96525	0.4
57.07055	0.8
60.29090	0.4
65.03909	1.2
65.61388	0.3
67.05196	0.5
67.05494	6.4
69.03400	0.4
69.07043	0.8
70.87402	0.8
70.87782	0.7
71.04979	0.4
79.05477	3.3
81.03396	0.5
81.07030	1.7
83.08582	0.5
85.06529	3.4
91.05495	1.7
93.07024	0.8
93.90321	0.4
95.04969	2.2
95.08570	1.0
97.06527	0.4
103.05447	0.4
105.06998	0.9
107.04957	4.9
107.08578	0.8
109.06483	1.0
109.10093	0.7
117.07015	0.7
119.04936	0.4
119.08553	0.8
121.02843	0.6
121.06463	0.8
121.10137	1.0
122.07127	1.2
123.07986	0.5
125.05930	0.7
131.08551	1.1
133.02901	0.4
133.06505	0.5
133.10057	0.6
135.04402	14.7
135.26990	0.4
137.05949	1.0
145.06488	0.5
147.11639	0.6
149.09619	0.4
153.05434	0.7
155.03412	0.7
157.06558	0.4
157.94086	0.4
159.08002	0.6
159.11620	0.5
161.09654	0.4
163.03883	11.8
163.11215	0.6
165.05473	1.4
169.01250	0.5
173.13292	0.9
177.05464	0.6
179.03328	0.4
181.04930	6.3
189.09059	0.5
191.07089	0.4
193.04944	100.0
194.05273	1.0
205.08504	0.5
205.12344	0.4
207.06467	0.5
209.04424	0.5
219.10258	0.7
229.12262	0.4
247.09698	1.5
247.13303	1.2
259.90634	0.4
265.10696	18.1
265.14246	1.4
265.18036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03926	2.0
55.01863	2.2
55.05489	2.3
56.96526	0.8
57.03430	0.8
58.03634	0.7
65.03917	1.7
67.05500	3.7
68.99778	1.3
69.03430	3.6
69.07050	1.4
69.50845	5.3
71.04978	1.3
79.05481	5.5
81.03412	6.1
81.07050	4.2
82.32258	0.6
83.04970	3.8
91.05474	6.9
93.03392	1.0
93.07023	3.9
95.04952	3.1
95.08572	0.8
97.02867	1.4
99.04450	1.2
103.05440	2.7
105.06999	5.2
107.04947	6.0
107.08557	1.7
109.02859	6.2
109.06498	4.8
109.10152	0.8
111.04411	1.4
115.05439	1.8
117.07011	3.4
119.04922	6.9
119.08557	2.6
120.08085	0.9
120.25723	0.6
121.02859	5.3
121.06505	5.4
121.10139	1.7
122.07136	0.9
123.04413	2.1
125.02300	0.7
125.05930	0.7
125.07851	0.7
127.03873	0.9
128.06200	2.1
129.06972	2.6
130.07761	1.8
131.04906	3.9
131.08578	4.2
133.06459	1.5
133.10098	1.1
134.03513	0.6
135.04373	3.8
135.08011	2.3
137.05960	2.2
139.03859	2.2
141.07001	1.2
142.07803	1.1
143.08554	3.1
144.05688	1.9
145.06490	4.8
145.10106	6.1
147.04379	5.7
147.08005	3.0
149.02316	1.4
149.05945	4.2
149.09607	1.8
151.03908	5.3
153.05446	2.1
153.06851	1.4
155.08548	6.5
158.07233	2.9
159.04384	3.8
159.08037	4.8
159.11662	1.2
160.05200	0.7
161.05945	2.4
161.09579	3.1
163.03888	13.0
163.07570	3.9
163.11139	1.0
164.04666	3.5
165.05492	1.5
167.03455	1.6
171.02831	0.7
171.08118	1.5
173.02284	0.9
173.05919	1.9
173.09618	8.3
175.03853	1.7
175.07541	3.3
175.11066	0.8
177.05450	11.5
177.09073	5.2
179.03386	3.8
179.07018	1.5
181.04944	1.5
183.08018	3.2
185.05937	0.7
186.06763	1.2
187.03880	5.5
187.07491	5.1
189.05450	1.4
189.09094	2.3
190.06201	1.2
191.03363	10.4
191.07004	2.8
191.10655	2.3
193.04982	3.3
193.08499	0.8
195.06517	7.5
197.04425	2.6
199.07556	1.4
201.05429	3.0
201.09099	9.3
201.12726	1.1
203.06978	2.1
205.04950	8.2
205.08565	10.2
207.06395	1.0
207.10120	0.7
209.04419	3.2
211.05943	2.1
211.07532	2.2
214.06232	2.8
215.07053	0.7
217.05099	1.0
217.08710	3.1
218.05621	1.0
219.06479	2.4
219.10124	10.1
219.13690	1.5
221.08063	2.7
222.05241	1.8
223.06035	4.2
229.08562	11.5
232.07202	1.5
237.07550	2.3
237.11200	9.5
247.09621	28.2
247.13467	1.8
250.07918	3.5
256.33472	0.7
265.10684	100.0
265.14026	3.0
266.10980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03929	3.8
54.53136	1.5
55.01862	6.9
55.05500	4.5
57.03428	2.5
63.63280	1.5
65.03926	2.0
66.95837	1.6
67.01834	1.3
67.05491	6.1
68.99790	3.7
69.03421	6.5
69.07040	3.1
70.06580	2.9
70.42786	5.5
70.43174	2.7
71.01345	1.9
72.08146	1.6
79.05488	9.8
81.03414	10.1
81.07040	12.0
83.04965	5.9
85.02925	2.4
85.06506	1.6
91.05470	12.3
93.03403	1.7
93.07031	8.5
95.04961	10.1
95.08603	5.5
97.02904	4.1
97.06528	2.9
99.04408	3.6
105.07015	13.5
107.04934	6.4
107.08585	6.4
109.02863	11.5
109.06496	16.5
109.10191	2.2
111.04447	4.2
111.08079	2.8
115.05447	5.3
117.07002	13.1
119.04933	5.9
119.08563	6.5
120.08047	2.6
121.02837	10.1
121.06483	5.1
121.10139	2.6
122.07153	4.1
123.04427	6.4
123.08050	1.7
125.02354	2.8
127.03903	2.3
128.06189	4.3
129.06985	4.2
131.04944	2.5
131.08549	10.8
133.06493	3.5
133.10114	6.8
135.04379	9.1
135.08051	2.9
135.11714	2.2
136.06200	2.7
137.02280	1.7
137.05931	3.1
137.09604	2.4
138.30295	1.4
139.03886	10.1
141.07013	2.1
142.07724	2.9
143.08537	5.6
144.05722	2.1
145.06499	11.3
145.10101	5.3
147.04408	6.7
147.08066	4.9
149.02325	24.4
149.06021	9.1
149.09615	4.7
151.03915	17.5
151.07558	2.9
153.05460	6.5
153.06903	1.9
154.07855	1.5
155.03360	7.2
155.08531	4.8
158.07257	2.8
159.08072	10.9
159.11658	3.7
161.06015	3.0
161.09619	6.4
163.03917	3.1
163.07518	5.1
163.11186	1.8
165.05473	3.4
165.09137	2.5
166.02528	2.4
167.03398	15.1
167.07040	2.3
169.04907	2.6
171.07988	2.8
173.05959	5.4
173.09630	9.5
175.03902	2.9
175.07497	4.7
177.05467	28.2
177.06934	2.9
177.09082	5.9
179.03383	16.0
181.04945	2.2
183.07990	2.0
187.07535	7.4
187.11185	2.7
189.05470	3.9
189.09099	4.9
189.12721	1.7
190.06204	1.8
191.03342	1.5
191.07021	5.3
191.10698	8.7
193.05066	2.7
195.06514	3.4
197.04434	100.0
199.07475	3.2
201.09073	9.3
201.12718	2.4
203.06905	2.4
204.07755	2.4
205.04849	1.7
205.08504	3.1
205.12273	5.8
207.10217	1.9
216.07808	1.9
217.05202	1.7
217.08589	23.4
219.10129	74.4
219.13756	4.6
229.08588	8.4
229.12193	2.8
235.09642	1.8
237.11214	3.9
247.09642	32.7
247.13217	4.9
265.06580	3.0
265.08279	3.1
265.10718	64.3
265.14313	11.6
265.18179	2.2
266.07336	1.6
276.46133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
50.85665	0.2
53.03934	0.6
55.01857	0.6
55.05495	0.6
57.08333	0.2
65.03947	1.3
67.05501	6.4
68.99766	0.6
69.03394	0.7
69.07063	1.4
69.87963	1.5
70.06562	0.3
71.04960	0.3
79.05080	0.3
79.05489	3.7
81.03397	0.9
81.07043	1.6
83.04945	0.7
83.08596	0.4
84.08134	0.3
85.06532	3.1
88.95596	0.3
91.05479	1.5
93.07027	1.2
95.04953	2.6
95.08593	0.6
97.02861	0.6
97.06492	0.9
98.21423	0.4
99.04449	0.6
105.07021	1.6
107.04945	3.6
107.08554	1.1
109.02814	0.7
109.06498	1.0
109.10123	0.5
111.04396	0.4
111.08127	0.3
117.06989	0.8
119.04926	0.3
119.08541	0.8
119.30402	0.3
121.02827	1.0
121.06487	0.7
121.10114	0.9
122.07127	0.9
123.04385	0.3
123.08093	0.5
125.05956	0.7
129.06934	0.3
131.08524	1.1
133.10095	0.8
135.04398	13.2
135.07957	0.6
135.11653	0.4
137.05931	1.3
137.09610	0.3
139.03847	0.3
143.08537	0.4
145.06398	0.8
145.10094	0.8
147.04361	0.3
147.07996	0.3
147.11591	0.5
149.05966	0.5
149.13268	0.3
151.03871	0.4
153.05431	1.0
155.03380	0.7
157.10107	0.4
159.08046	0.8
159.11630	0.8
161.05923	0.6
161.09596	0.8
163.03889	10.3
163.05263	0.6
163.07516	0.3
163.11139	0.5
165.05472	1.2
165.06863	0.3
167.10629	0.6
169.01376	0.3
173.05963	0.6
173.09642	0.7
173.13190	0.5
177.05479	1.9
177.09076	0.6
177.12726	0.4
179.03348	0.4
181.04955	6.7
181.06522	0.4
187.07561	0.4
187.11189	0.6
189.09129	0.7
191.03456	0.3
191.06953	0.3
191.10577	0.4
193.04945	100.0
194.05295	1.1
195.06575	1.6
201.09129	0.4
201.12688	0.7
203.07016	0.4
204.07825	0.3
205.04840	0.6
205.06717	0.3
205.08568	0.6
205.12228	0.6
207.06424	0.4
207.10147	0.3
209.04384	0.6
217.08575	0.3
219.10355	1.7
219.13783	0.7
221.08093	0.4
229.08620	0.7
229.12286	0.5
233.08167	0.3
235.09473	0.3
247.09612	2.9
247.13242	0.9
265.07532	0.6
265.10696	19.5
265.14182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1066
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
55.05497	2.6
57.03444	1.1
57.91671	0.9
58.59917	0.9
60.73989	0.9
65.03924	1.0
67.05482	2.3
69.03431	1.3
70.56904	3.4
76.02152	0.9
77.48223	0.9
77.48710	0.9
77.66549	0.8
79.05470	4.3
81.03387	0.9
81.07035	3.0
83.04940	1.1
85.02869	0.8
91.05471	6.2
91.43626	0.9
93.03385	0.9
93.07029	3.6
95.04962	1.7
95.08581	1.9
97.06516	1.0
99.03818	0.9
103.05499	1.0
105.07018	2.5
107.04961	5.6
109.02892	1.3
115.05392	2.3
117.06982	2.6
119.04897	2.5
119.08542	1.0
121.02830	1.1
121.06464	3.1
123.04356	1.6
128.06160	1.2
129.06918	1.1
131.08517	4.2
133.10100	0.9
135.04439	1.3
135.08078	1.1
139.03841	1.2
141.06935	2.2
144.05698	1.4
145.06451	4.3
147.04352	2.4
147.07913	1.3
149.02304	1.5
149.05984	2.1
151.07445	1.0
153.05437	3.0
155.08476	1.6
159.04445	1.6
159.08026	7.2
161.05925	2.7
163.03830	5.7
163.07515	4.2
167.03320	2.2
169.06348	1.8
173.05965	1.8
173.09612	3.1
177.05461	3.7
177.09065	2.4
181.04904	5.7
181.08630	1.1
183.06462	1.2
183.07953	1.8
185.04355	2.2
187.07465	5.6
189.05406	2.9
190.02635	1.5
191.06961	4.3
191.10573	1.6
193.01347	1.8
193.04915	7.3
197.05983	1.5
201.05307	1.3
201.09114	1.2
203.03363	2.3
205.04970	3.4
205.08545	10.0
207.06483	2.8
208.03697	2.8
208.07283	1.9
209.04445	1.2
211.05956	3.3
215.06979	2.9
217.02917	1.9
217.04941	34.1
217.40248	1.0
218.05487	1.3
219.10161	2.3
221.04391	4.0
222.05226	2.7
222.08899	1.4
223.05968	3.7
223.09616	4.1
229.08539	5.2
232.07256	3.1
233.08073	2.3
235.05983	92.2
236.06435	1.4
247.09633	24.0
250.08347	26.6
265.10678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
53.03941	2.1
55.01876	8.3
55.02079	1.4
55.05496	6.7
57.03434	2.5
57.07064	1.4
65.03933	2.3
67.05493	6.7
68.99787	4.4
69.03416	4.0
69.07055	4.4
69.52197	12.1
70.06564	2.1
71.01335	3.3
71.04984	2.6
79.05486	13.4
81.03403	6.1
81.07052	15.6
83.04985	3.0
91.05486	10.6
93.07039	8.9
95.04948	7.7
95.08598	6.1
97.02869	2.5
97.06502	3.4
99.04424	1.6
103.05474	2.7
105.07021	14.1
107.04983	7.5
107.08582	5.7
109.02874	7.4
109.06512	23.6
109.10119	3.6
111.04430	5.3
111.08035	1.8
115.05457	6.5
117.06996	11.1
119.04912	7.1
119.08569	5.0
120.03375	1.5
121.02856	6.1
121.06493	6.2
121.10154	3.6
122.07137	5.6
123.04372	2.1
123.08035	3.5
123.11665	2.1
125.02351	1.7
125.05967	2.2
127.03851	2.6
128.06204	6.2
129.06970	6.6
130.07777	3.6
131.04924	2.4
131.08560	5.6
133.06529	7.3
133.10118	2.4
135.04402	11.6
135.08031	4.6
135.11729	3.6
137.02319	3.1
137.05943	4.2
139.03873	5.1
139.07536	1.6
141.06978	2.1
142.07832	1.5
143.08580	8.8
144.05727	3.0
145.06476	12.2
145.10101	9.8
147.04382	17.1
147.08025	7.6
149.05972	2.7
151.07491	2.7
153.05482	11.1
153.06708	1.9
155.03391	1.7
155.06078	1.4
155.08559	4.6
157.10130	2.5
158.07327	4.4
159.08063	7.6
159.11736	3.3
160.05211	1.6
161.05951	7.1
161.09622	4.9
163.03923	4.1
163.07529	6.0
163.11166	2.1
165.05501	2.7
165.06825	1.6
167.03445	2.1
167.07112	2.2
171.08029	8.0
173.05995	6.0
173.09607	16.9
175.03908	6.0
175.07593	4.7
175.11218	2.6
177.05469	5.8
177.09093	4.6
181.05025	2.6
184.05186	2.7
187.07547	4.4
189.05476	3.7
189.09096	12.1
191.06995	5.8
191.10649	1.7
193.05034	1.8
199.07520	9.3
201.05450	3.9
201.09074	13.8
203.07146	3.4
205.04961	2.4
205.08609	5.4
205.12282	1.7
207.10092	1.7
215.07164	1.7
216.07753	2.8
217.08582	58.8
219.10123	16.4
219.13771	3.4
221.08015	2.5
229.08543	13.8
235.09682	1.8
247.09668	26.6
247.13370	3.9
265.10709	100.0
265.14194	7.3
265.17917	2.9
265.24875	3.6
266.10895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05495	18.2
56.42396	4.7
57.07056	14.1
57.13997	4.1
62.60704	3.7
65.03941	4.2
67.05502	35.7
69.07062	29.2
69.17898	4.3
70.78325	8.6
70.78716	7.4
79.05468	16.4
81.07053	88.7
83.08599	15.2
85.06536	4.2
91.05457	15.4
93.07040	40.3
95.08602	100.0
97.06490	4.6
97.10159	10.5
99.08002	5.6
102.10747	4.2
105.07029	21.7
107.08598	36.5
108.46052	4.7
109.10146	54.4
113.09676	4.6
119.08553	25.7
120.71132	3.9
121.10126	31.2
123.11700	36.8
133.10106	24.4
135.11650	25.4
137.13248	24.6
147.11665	19.3
149.13257	41.3
151.14713	5.6
161.13199	17.2
163.14819	14.4
175.14838	14.4
177.16383	4.7
184.94339	4.1
189.16380	28.3
203.17902	8.3
205.19466	21.8
245.22629	56.3
263.23700	45.1
283.89270	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	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
56.05022	1.2
56.96560	100.0
57.03428	1.3
59.95888	1.0
61.56897	1.0
67.05503	1.3
69.03408	2.0
70.06564	3.3
70.82996	2.8
71.95247	1.6
72.08127	2.0
72.96022	4.2
74.02427	2.7
74.06065	1.9
74.97612	1.5
83.97609	2.7
84.04488	2.7
84.08117	1.2
85.02895	3.0
91.05476	2.0
93.51324	1.0
97.02876	2.6
97.06483	1.3
98.97569	10.4
110.07134	1.8
111.28397	1.1
116.98616	9.0
118.06525	1.5
120.01980	1.3
120.08092	1.9
121.06510	1.3
122.07150	1.3
134.99652	7.1
139.03889	2.5
150.59677	1.2
153.37083	1.1
162.02982	2.1
162.04218	2.2
163.04465	2.5
167.03816	1.8
176.03841	10.8
176.05278	1.7
178.05396	12.2
181.01753	1.8
183.03264	4.0
184.04784	1.5
194.04927	8.9
196.06451	12.6
201.04361	10.9
202.10703	3.5
204.03354	5.1
208.02866	5.2
210.04341	2.5
218.12842	1.4
219.05258	1.2
222.04353	62.4
223.04829	1.8
226.03854	4.4
240.05415	72.6
245.05936	6.3
263.07010	3.5
264.05408	15.5
264.08545	1.8
264.09082	1.7
264.12421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03936	1.9
55.01876	1.3
55.05499	1.1
57.03427	1.3
57.07069	0.6
57.58283	0.6
64.32906	0.6
65.03935	1.5
67.05494	2.9
68.99780	2.9
69.03419	1.7
69.07060	1.9
70.71564	2.0
71.04984	1.1
77.57337	0.6
79.05473	2.0
81.03420	3.9
81.07038	2.2
81.80922	0.6
83.04962	2.0
85.02916	0.6
91.05478	4.0
93.03391	0.9
93.07027	2.1
93.88079	0.6
95.04963	7.4
95.08594	2.2
97.02884	0.9
97.06543	1.0
99.04433	0.9
105.07044	4.1
107.04951	2.4
107.08594	1.6
109.02872	4.3
109.06525	1.4
109.10154	0.7
111.04426	2.0
115.05497	1.5
115.63438	0.6
117.07001	3.6
119.04948	3.9
119.08577	2.1
121.02869	4.6
121.06475	2.4
121.10138	1.4
122.07189	0.8
123.04412	5.6
123.08064	1.2
125.02356	1.8
127.03918	0.9
128.06198	2.2
129.06993	2.4
130.07779	0.8
131.04909	1.2
131.08606	2.8
133.02841	1.2
133.06430	1.1
133.10094	0.7
135.04369	0.7
135.08043	1.2
137.05869	1.1
139.03883	10.8
141.07054	0.6
142.07785	0.9
143.08629	1.3
144.05646	0.7
145.06490	4.0
145.10118	3.7
147.04434	1.3
147.08060	1.0
149.02327	29.1
149.05969	2.1
151.03889	17.8
151.05115	0.6
153.05467	0.7
153.06953	0.9
155.03378	6.4
155.08557	3.5
158.07277	1.4
159.08072	1.6
159.11751	1.0
161.05920	1.5
161.09645	1.1
163.03880	1.3
163.07512	0.7
166.02672	0.9
167.01981	1.0
167.03394	19.5
169.04933	2.2
173.05954	1.7
173.09605	7.0
175.07524	0.8
177.05435	2.6
177.09108	0.7
179.03371	15.2
181.05016	1.1
183.08087	2.1
186.06682	0.9
187.07549	1.2
189.09143	0.8
191.07008	1.1
191.10602	1.5
193.05009	0.9
195.06508	3.6
197.04439	100.0
198.04773	1.2
199.07581	1.2
201.05345	0.7
201.09088	10.6
201.12683	1.1
201.20497	0.8
203.07152	0.9
203.20996	0.7
205.08556	1.3
215.07037	1.0
217.08562	2.4
219.10187	4.2
221.08017	1.2
229.08569	10.4
233.08090	0.7
237.11154	1.8
247.09645	10.4
247.13354	1.4
264.24493	0.8
265.10678	32.1
265.14099	2.0
265.24600	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05505	15.2
57.03405	2.0
57.07064	12.1
57.07305	1.8
59.19115	2.0
60.60174	2.4
65.03947	2.2
67.05499	83.7
69.07060	17.6
69.59501	7.1
69.59943	6.6
71.08608	5.9
72.93986	1.7
73.02632	1.7
79.05482	18.9
81.07047	100.0
83.04973	1.8
83.08601	15.2
85.06540	4.4
85.10191	2.2
91.05453	15.7
93.07040	20.8
95.04949	2.2
95.08598	80.9
97.06518	7.2
97.10137	6.9
99.08080	5.0
105.07014	12.2
107.08584	13.5
109.10146	40.6
111.08068	7.1
113.09599	4.0
115.42913	1.8
119.08577	9.6
121.10117	17.1
123.11678	15.0
127.11153	2.3
133.10115	14.5
135.11684	8.6
137.13228	8.8
141.12732	3.3
147.11667	7.9
149.05634	1.8
149.13240	7.5
151.14787	9.0
161.13269	9.4
163.14793	9.3
165.16406	11.0
167.20398	2.1
175.14828	7.9
177.16406	3.9
179.17943	4.5
189.16365	4.2
200.33316	1.9
245.22632	29.3
263.23672	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	1.7
55.05502	16.5
57.03418	2.4
57.07072	11.1
65.03943	2.2
67.05495	80.2
68.60194	1.3
69.07064	20.0
69.33057	13.1
71.08624	7.7
79.05480	23.8
81.07044	100.0
83.04962	2.7
83.08247	1.4
83.08617	16.3
85.06523	4.4
85.10162	3.8
91.05460	18.1
93.07037	23.0
95.04964	1.4
95.08595	89.8
97.06516	11.0
97.10170	8.7
98.20788	3.2
99.08093	6.3
105.06998	11.2
107.08581	12.6
109.06528	2.3
109.07310	1.4
109.09389	2.5
109.10139	49.3
111.08047	6.3
113.09608	3.8
119.08561	15.2
119.87411	1.3
121.10120	21.7
123.08053	3.9
123.11694	19.9
127.11205	1.7
133.10103	15.2
135.11676	9.5
137.13229	10.8
141.12691	3.6
147.11670	9.8
149.13222	9.7
151.14783	9.7
161.13252	12.8
163.14751	8.3
165.12685	2.2
165.16354	10.7
167.14369	1.6
175.14777	9.9
177.16319	2.9
179.17979	3.7
181.15891	2.2
189.16353	5.8
217.19513	2.5
218.76404	1.4
245.22626	44.1
254.24280	1.7
263.23676	78.7
264.23996	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.3
55.01871	1.0
55.05509	15.2
57.03440	1.7
57.07071	9.7
57.60522	0.7
65.03930	2.0
67.05500	88.7
68.05837	1.1
69.03403	0.7
69.07060	16.4
71.04990	1.8
71.08611	6.3
71.52640	1.4
74.23811	0.7
79.05488	23.4
81.07048	100.0
83.04982	2.1
83.08611	14.5
85.06524	3.6
85.10173	3.2
91.05470	15.1
93.07036	24.6
93.09261	0.7
95.04950	2.2
95.08598	86.1
96.08904	1.3
97.06527	7.1
97.10150	7.6
98.46043	0.7
99.08098	6.7
105.07021	11.6
107.08586	13.4
109.06497	1.3
109.10147	43.6
111.08094	5.0
111.11718	1.3
113.09650	2.9
115.05497	0.8
119.08568	10.9
121.10135	16.3
123.08063	2.6
123.11697	18.0
125.09689	0.8
127.11196	1.8
133.10118	15.3
135.11685	10.6
137.09599	2.6
137.13261	8.1
141.12746	2.2
147.11676	8.8
149.13248	7.4
151.11191	1.6
151.14818	7.8
155.14305	1.4
161.13245	11.5
163.14809	7.5
165.16373	9.9
167.14253	1.2
175.14786	6.7
177.16365	2.1
179.17944	3.8
181.15923	1.9
189.16371	3.6
203.17970	1.3
217.19403	2.0
221.18941	1.0
232.09872	0.7
245.20071	1.4
245.22641	34.1
263.23685	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.38067	0.9
53.03935	2.1
55.01855	0.9
55.05505	17.2
57.03419	2.6
57.07069	11.6
65.03918	2.6
67.05499	88.2
69.07062	17.5
70.23816	4.2
71.04965	1.5
71.08625	7.8
73.89315	1.0
79.05486	21.8
81.07048	100.0
82.07375	1.4
83.04985	1.6
83.08609	12.8
85.06538	4.2
85.10171	3.3
91.04916	1.0
91.05472	17.1
91.30154	0.9
93.06481	1.7
93.07037	25.7
95.04935	1.5
95.08600	91.3
96.08939	1.7
97.06531	8.5
97.10160	5.3
99.08077	6.1
105.07024	11.7
107.08582	15.0
108.08966	1.3
109.06487	2.1
109.10145	46.1
111.08060	4.6
111.11749	1.2
113.09633	3.4
119.08572	12.6
121.10138	16.8
123.08040	2.5
123.11696	17.0
125.09639	1.5
125.13294	0.9
127.11173	1.7
128.30325	0.9
131.08517	1.5
133.10124	15.4
135.11699	9.1
137.09593	3.5
137.13254	7.1
141.12729	2.3
142.17503	0.9
145.10085	1.6
146.10408	1.5
147.11708	10.2
149.13271	9.5
151.11127	2.1
151.14812	7.8
155.14317	1.5
161.13260	9.5
163.14825	8.4
165.16374	8.8
167.14275	1.7
175.14793	7.0
177.16357	1.4
179.14268	1.2
179.17943	5.0
181.15897	1.4
189.16342	3.3
203.17049	1.5
217.19493	1.9
220.42490	0.9
245.22638	32.1
247.11610	1.5
263.08350	2.1
263.14713	13.5
263.23694	64.7
264.24045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1638
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03936	2.7
55.01870	14.3
55.05242	2.6
55.05506	40.2
57.03426	4.5
65.03930	5.3
67.05496	8.5
69.03410	6.2
69.07050	7.1
70.06584	2.2
71.04968	4.1
71.52516	2.1
71.52956	2.4
78.60009	2.1
79.05480	21.8
81.06590	3.9
81.07043	50.1
81.90264	2.1
83.04966	6.4
83.08607	100.0
85.06528	2.5
91.05468	23.2
93.07028	27.9
94.04173	6.1
95.04945	15.7
95.08604	11.7
97.06522	10.2
105.07007	15.8
107.04929	8.3
107.08576	46.2
109.06506	95.2
109.10139	5.6
111.08060	16.3
113.09612	4.8
117.07012	4.7
119.04936	4.1
119.08545	11.7
121.06490	5.3
121.10117	9.5
123.04433	5.2
123.08064	9.2
125.09628	11.9
129.06990	3.9
131.08578	5.2
133.06471	5.0
133.10100	8.6
135.08025	3.9
137.05978	29.1
139.11145	20.0
139.17078	2.7
141.77719	2.3
143.08519	5.4
144.09238	2.5
145.10132	8.1
147.04442	3.1
147.08043	8.1
147.11708	4.1
149.09602	5.7
153.09085	13.5
157.10117	4.1
159.07996	2.3
159.11679	14.5
161.06017	4.9
161.09619	6.0
161.13235	3.6
163.11148	3.1
175.07545	5.3
175.11122	2.9
175.14787	2.7
177.12776	3.8
181.12202	15.7
185.13246	9.5
187.11136	10.1
189.05498	4.8
193.08524	4.6
201.81189	2.2
203.07030	8.0
203.10571	3.7
203.14345	15.9
205.12236	14.1
207.06505	12.4
217.08594	5.0
217.12175	2.6
221.15334	26.4
231.10132	4.2
235.09535	4.4
235.13214	4.4
245.11769	6.5
245.15356	6.3
263.08624	15.3
263.12396	18.1
263.16498	9.1
263.20007	4.6
263.23923	2.7
264.15878	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	263.1276
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
55.01851	1.6
62.06264	1.1
65.03988	1.1
67.05496	2.0
69.07063	7.2
71.52335	1.7
79.05481	4.3
81.07067	2.8
85.02923	1.2
89.59118	1.0
91.05468	9.1
93.07047	2.5
93.53816	1.1
95.04961	2.6
95.08598	2.4
103.05454	6.0
105.07023	12.4
107.04985	2.0
108.69169	1.2
109.06549	5.9
115.05441	4.3
117.07000	2.7
119.04940	6.7
119.08546	2.6
121.10100	1.5
123.04415	2.6
123.08058	2.2
129.07014	3.0
131.04930	3.0
133.06487	11.5
133.10117	1.6
135.08066	2.4
137.05969	2.9
140.19153	1.0
143.04936	1.8
143.08571	1.6
145.06465	3.1
146.03648	3.0
147.04395	10.1
147.08037	2.3
151.07521	2.7
159.04295	1.4
159.08015	2.5
161.05962	11.3
161.09569	1.6
164.04610	1.8
165.05399	2.8
169.06464	2.6
171.08040	1.9
174.03140	2.2
175.03929	1.9
175.07539	2.8
177.05447	5.0
179.06990	3.6
181.70865	1.4
183.72160	1.2
187.07524	5.0
189.05447	37.7
189.09006	1.9
189.12766	1.2
192.04155	1.7
193.05000	1.6
195.08029	4.7
203.07057	5.0
203.10629	2.1
207.06511	100.0
208.06969	1.8
215.07021	3.7
217.08568	4.0
217.12184	2.9
221.08102	1.5
227.10593	6.1
235.09563	1.7
245.07997	3.0
245.11703	30.2
263.08826	6.4
263.12857	5.0
263.16574	2.6
263.19974	1.7
263.24072	1.7
268.30521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.164
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.03941	1.0
53.14993	0.6
55.01862	1.5
55.05501	1.1
57.03414	0.7
57.07063	3.8
57.83432	0.6
59.04977	1.1
65.03940	0.6
67.05487	2.5
69.03402	1.8
69.07057	1.5
70.27605	2.6
71.04971	1.1
79.05485	5.7
81.07043	7.0
83.04967	5.9
85.06510	1.7
88.07607	1.1
91.05463	7.9
93.07042	6.1
95.04966	4.3
95.08598	3.3
97.06513	3.1
105.07027	12.1
105.19868	0.7
107.04931	2.1
107.08576	8.6
108.05756	1.0
109.06522	4.2
109.10126	2.2
111.04442	2.7
115.05443	1.1
117.07027	3.3
119.04929	1.3
119.08573	14.0
121.06495	3.8
121.10123	4.4
123.08067	1.8
125.05981	2.2
128.06216	3.1
129.06973	2.2
131.04910	0.8
131.08537	4.6
133.06445	1.5
133.10123	9.9
135.08047	8.0
135.11607	1.2
137.09593	2.2
142.07767	0.9
143.08530	5.6
145.06479	2.5
145.10124	1.3
146.07237	1.3
147.08041	13.8
147.11694	1.7
149.09605	23.3
150.09901	0.7
151.07494	1.1
157.10132	3.6
159.08005	1.5
159.11676	4.7
161.05925	1.0
161.09604	13.4
161.13281	2.1
163.07466	3.3
164.08272	0.6
165.09100	0.8
169.10080	1.1
170.10873	1.1
171.07983	1.3
171.11697	1.2
173.13292	1.3
174.06657	0.7
175.07472	2.1
175.11172	1.3
175.14818	1.9
179.10696	1.3
185.09674	1.0
185.13225	4.0
189.05466	1.7
189.09070	7.2
189.12704	0.8
199.14722	1.5
203.06998	2.0
203.14293	6.5
206.57965	0.7
207.06534	3.5
207.10147	8.1
215.22000	1.7
217.08713	0.9
220.07179	1.1
221.15334	0.8
227.14191	1.3
235.09560	1.1
245.08090	0.9
245.11749	3.3
245.15297	5.4
263.09161	4.2
263.16397	100.0
264.16696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
53.03931	0.7
54.43153	0.5
55.01849	1.3
55.05489	0.6
61.46769	0.5
67.05480	0.6
69.07061	5.2
69.67661	0.5
70.34837	1.7
79.05490	2.9
81.07021	1.0
91.05477	5.4
93.07027	1.3
95.04951	1.2
103.05452	5.3
105.07021	11.6
107.04880	0.5
107.08572	0.9
109.06495	3.4
115.05473	3.7
117.06995	1.6
118.04134	1.5
119.04934	5.6
121.06492	1.0
121.10178	0.5
123.04422	2.9
123.08047	1.4
129.07011	0.7
131.04898	3.9
133.06473	9.1
135.04356	0.6
135.08034	0.9
135.77518	0.5
136.05110	0.6
137.05949	1.8
140.06548	0.6
143.04889	1.6
145.02896	0.7
145.06477	1.3
146.03615	2.1
147.04399	8.3
147.07980	0.6
148.05167	0.5
149.05933	0.6
151.07547	3.0
155.04918	1.3
159.04414	1.3
161.05971	13.5
161.09581	0.8
162.06664	0.5
163.04012	0.6
163.07562	0.6
164.04695	1.2
165.05444	0.7
167.08620	0.8
169.06461	0.8
171.08015	0.8
174.03079	3.3
175.03871	1.5
175.07545	0.5
175.11130	0.5
177.05460	3.9
179.07007	2.2
185.09583	1.2
187.07526	4.0
189.05450	38.9
191.03281	0.5
192.04118	1.4
193.04889	0.6
195.08028	4.9
201.05338	0.5
203.07028	2.5
203.10728	1.6
207.06505	100.0
208.06885	1.3
215.07019	4.7
217.08578	0.7
217.60254	0.5
221.08101	1.2
227.10681	6.3
231.10056	0.6
233.08084	0.7
235.13376	0.9
245.11711	27.6
249.62407	0.5
263.08862	0.6
263.09991	0.5
263.12732	5.0
263.16168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	2'-Deoxymeranzin hydrate
Peak:m/z	Relative Intensity
53.03928	0.8
55.01854	1.7
55.05484	1.8
59.07930	0.8
59.29088	0.7
67.05500	2.9
69.03403	1.2
69.07056	19.4
69.87453	0.9
71.26682	1.4
79.05469	4.9
81.07046	3.5
83.04967	4.3
87.45267	0.9
90.16968	0.8
91.05478	5.5
93.07020	2.1
95.08595	2.4
103.05460	8.9
105.07015	17.3
106.41782	0.9
107.04906	2.1
107.08585	1.7
109.06500	3.1
111.04510	1.1
111.19351	0.9
115.05405	5.3
118.04147	3.4
119.04939	4.7
119.08558	2.1
121.10159	1.2
123.04424	1.1
123.08055	1.3
128.06148	1.0
129.06949	1.5
131.04897	7.8
131.08496	1.0
133.06462	17.4
133.10101	1.7
137.05971	2.6
143.04881	2.8
143.08565	2.6
145.06480	1.5
146.03638	1.2
147.04372	6.5
151.07559	1.5
155.04895	1.3
157.10069	1.3
159.04379	4.2
160.05206	1.3
161.05948	18.4
162.03171	1.7
163.07533	1.4
167.08533	1.3
169.06470	1.1
171.04373	1.2
171.08055	3.3
174.03142	3.2
175.03888	3.5
175.07558	3.0
177.05441	13.9
177.09123	1.2
179.06978	2.0
185.06050	1.0
185.09560	2.7
187.07520	9.4
188.04668	1.4
188.08081	1.0
189.05434	34.1
189.09056	1.2
192.04205	1.3
195.08061	10.1
201.09050	1.5
203.07021	11.7
203.10609	5.4
207.06491	99.2
208.06792	1.0
213.09030	2.1
215.06898	1.6
217.08731	1.2
217.12302	1.6
219.09155	1.8
227.10658	8.4
235.09023	1.1
245.11694	100.0
246.12100	1.9
262.07288	1.4
263.08157	11.7
263.12570	10.1
263.15555	0.8
263.16599	1.0
263.20193	1.6
263.23627	1.4
270.57220	1.0
284.51007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.091
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03932	0.7
54.45778	0.5
55.01863	1.0
55.05500	1.4
56.96546	1.1
65.03927	0.6
67.05489	2.8
69.03431	1.2
69.07049	0.6
71.04958	0.6
71.40156	0.5
71.52916	0.6
79.05488	7.6
81.03409	18.8
81.07045	5.3
83.04959	0.7
85.02892	0.6
87.89877	0.5
91.05467	6.8
93.03413	0.7
93.07027	2.5
95.01286	0.7
95.04956	1.8
95.08575	1.7
97.02904	0.7
103.05444	1.0
105.07019	5.2
107.04946	8.6
107.08575	2.3
109.02866	10.5
109.06503	4.9
111.04430	0.6
115.05512	0.6
117.07027	0.8
119.04926	3.1
119.08572	1.9
121.06512	1.8
121.10116	1.5
123.04410	0.6
123.08030	1.1
125.02312	1.9
125.05976	0.7
128.06212	5.1
129.07008	1.4
131.04907	1.3
131.08548	1.4
133.06479	2.6
133.10103	1.8
134.99686	0.6
135.00723	1.3
135.03407	0.9
135.04395	10.9
135.08008	1.0
135.11641	0.9
137.05998	0.9
139.11160	0.6
143.08546	7.2
145.06462	1.2
145.10123	0.7
146.07233	1.6
147.04393	17.7
147.08028	6.7
149.02303	1.1
149.05910	1.1
153.05453	6.9
155.05928	0.5
157.06450	0.8
159.08017	1.5
159.11592	0.5
160.05159	0.7
161.05984	2.5
161.09601	7.5
163.03880	2.5
171.08058	8.7
174.06752	1.3
175.03903	11.4
175.07465	4.0
184.05202	2.1
185.05956	0.9
188.04752	0.5
189.05478	3.2
189.09105	16.2
191.03386	1.5
193.04901	0.8
199.07541	9.3
201.05406	1.6
202.06258	0.8
203.03424	1.1
203.07016	1.6
203.10585	0.7
205.04959	0.9
207.06421	1.3
213.05453	1.1
217.08574	100.0
218.08891	2.2
221.04344	0.9
221.08104	0.6
230.05721	1.1
235.09662	1.4
245.07993	5.0
245.11731	1.9
248.06598	2.2
263.09106	50.6
263.19794	0.8
264.09161	0.6
281.10529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Methylevodionol
Peak:m/z	Relative Intensity
53.03930	1.0
55.01854	1.4
55.05516	2.4
57.03426	0.4
65.03928	0.8
67.05502	5.9
68.99777	1.8
69.03407	1.4
69.07055	0.7
73.06543	1.0
76.46335	0.5
77.03900	0.5
79.05489	4.7
81.07047	3.8
83.04491	0.6
83.04970	8.6
83.08652	0.5
85.06525	1.0
91.05470	4.8
93.07025	3.7
95.04955	9.7
95.08587	0.8
97.06510	1.0
98.20741	1.1
103.05460	0.8
105.07030	9.8
107.04953	4.0
107.08589	2.7
107.42612	0.4
109.02870	1.3
109.06511	3.7
109.10136	0.8
111.04459	1.1
112.05215	0.9
115.05441	2.1
117.07034	2.3
119.04926	3.6
119.08569	4.1
121.06503	5.1
121.10130	0.7
123.04415	45.0
123.08034	0.7
125.06005	1.0
128.06200	0.9
129.07007	3.2
131.08548	1.9
132.05711	0.6
133.06487	5.8
133.10104	2.0
135.04366	2.9
135.08020	1.7
135.11655	0.9
135.38739	0.4
137.05971	1.6
138.06583	0.5
141.06960	1.6
142.07777	5.3
143.05008	0.5
143.08513	1.9
144.05707	0.5
145.06456	2.5
145.10052	1.0
146.07231	0.7
147.04344	2.5
147.08015	4.6
147.11659	2.3
148.05202	1.0
148.88916	0.5
149.05927	1.2
149.09467	0.6
151.03891	2.8
151.07530	0.5
152.06273	0.5
153.05417	4.0
156.09282	0.6
157.06468	1.5
157.10114	4.5
159.04456	1.2
159.08041	2.1
159.11682	1.3
160.05194	0.7
160.08820	1.1
161.05956	9.6
161.09637	3.5
162.06749	3.5
163.03896	1.1
163.07504	1.8
164.04651	0.5
164.08212	0.5
165.05466	4.4
165.06834	0.9
165.09128	0.5
167.07059	1.6
167.08508	1.0
169.04936	1.2
170.07246	1.0
171.08052	1.8
173.02330	1.7
173.05963	1.5
173.39795	0.5
174.06718	1.9
175.07532	4.6
175.11166	5.3
177.05470	2.8
177.09035	0.9
178.02592	0.7
178.06174	1.0
179.07018	1.5
180.07788	7.7
181.04924	0.8
185.09602	5.0
187.03914	1.9
187.07495	1.0
188.08357	2.5
189.05458	5.8
189.09094	3.5
190.06262	1.6
191.07007	0.9
192.04146	0.9
192.07820	0.6
193.04935	3.5
193.08578	13.6
194.05569	0.6
195.06464	1.8
198.06779	1.3
199.07515	1.0
201.05437	4.4
201.09050	0.8
203.07036	5.3
203.10643	18.5
204.07755	0.6
205.04924	6.8
205.08607	1.3
206.05759	3.5
207.06487	2.0
207.10132	1.9
207.13725	0.6
209.08105	2.6
213.09109	3.6
215.07034	1.1
215.10709	0.4
216.07817	5.0
217.08591	6.9
217.12192	1.6
218.05278	1.4
219.06572	2.5
220.07341	5.3
220.10832	0.8
221.08092	7.9
221.11688	1.7
230.09402	0.6
231.10144	26.9
232.10962	4.3
233.08044	23.3
234.08798	1.0
235.09692	4.7
235.13264	20.2
236.70755	0.5
245.07906	0.5
245.11723	2.0
245.15526	0.5
248.10167	5.7
263.12762	100.0
263.16290	7.2
264.13141	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	263.0912
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.01851	1.7
55.05492	3.4
56.05029	5.1
57.05371	1.5
57.07057	4.1
58.06582	2.7
58.07409	1.1
59.88461	0.9
63.03720	0.8
63.36881	0.9
63.68392	1.0
67.05509	5.2
69.03399	1.0
69.07041	2.8
69.34531	9.0
71.05002	1.1
71.08607	1.7
74.06061	3.4
75.06417	1.1
79.05467	4.1
81.07055	6.0
88.07626	17.0
89.07430	1.1
89.07941	5.3
91.05479	18.1
93.07036	4.8
95.04941	2.7
95.08617	6.0
97.06515	1.0
97.10153	1.0
103.02298	0.9
103.05487	1.1
105.07014	11.7
107.04945	11.7
107.08584	3.5
109.02913	1.2
109.06483	1.6
109.10130	3.6
110.43481	0.9
115.05431	3.7
117.06968	3.2
118.07875	0.9
118.08637	2.9
119.04931	16.1
119.08511	4.4
121.00427	1.4
121.06490	2.7
121.10104	1.4
122.08126	2.9
123.11682	1.8
128.06213	9.9
129.06987	4.3
131.04886	2.0
131.08562	2.3
132.05721	2.8
133.06483	10.0
133.10129	12.0
135.04414	1.5
135.63390	1.0
137.05991	2.1
137.13258	1.0
143.08546	13.0
145.06473	6.7
145.10086	1.5
146.07271	6.5
147.04405	5.2
147.08080	4.5
147.11671	1.0
149.02338	1.3
157.06453	1.2
157.10129	1.3
158.07304	1.7
159.08006	3.4
161.05956	1.6
161.09605	54.4
163.03877	2.6
171.08029	8.1
173.05954	3.1
174.06778	3.2
175.03830	2.2
175.07581	5.5
175.11037	1.1
175.14766	1.3
179.07013	1.4
184.05159	1.9
185.05931	1.3
187.07516	1.8
189.05452	2.6
189.09105	17.4
192.07806	1.2
193.08643	1.0
199.07542	4.4
201.03561	1.7
201.05449	29.4
202.06219	1.7
203.03499	1.6
203.06964	7.7
205.04979	1.8
207.06506	3.8
209.04536	1.3
214.21655	2.4
215.21983	26.0
217.08577	30.2
220.07318	2.8
227.06956	1.6
230.05695	18.9
235.09642	3.8
245.05518	1.9
245.08084	34.5
245.11774	2.3
245.22818	3.6
260.12469	1.0
263.09134	100.0
263.16650	4.6
263.24081	60.1
264.09332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0911
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03925	1.8
55.01845	0.8
55.05486	1.5
55.67484	0.4
56.96553	0.5
67.05472	1.1
68.99774	0.5
69.03405	1.1
69.07040	1.1
70.06581	0.5
70.68523	1.5
71.04962	0.6
79.05477	5.1
81.03407	20.4
81.07053	3.7
83.04955	1.0
84.61014	0.4
91.05472	4.9
92.41610	0.4
93.03381	0.5
93.07000	1.9
95.01324	0.9
95.04936	1.5
95.08574	1.3
95.90889	0.4
97.02859	0.9
97.06509	0.7
105.07016	3.3
107.04942	7.0
107.08588	1.1
109.02865	11.9
109.06507	5.0
109.10117	0.5
111.04390	0.6
115.05415	1.3
117.06975	1.0
119.04921	2.6
119.08546	2.2
121.06477	1.9
121.10101	0.6
123.04392	0.7
125.02319	1.8
128.06236	2.9
129.06973	1.6
131.04889	0.4
131.08545	1.2
133.02797	0.6
133.06464	1.4
133.10121	1.6
135.00766	1.1
135.04388	11.1
137.02327	0.6
137.05940	1.0
139.03871	0.7
141.06915	0.6
143.08533	5.9
145.06465	1.1
145.10059	0.8
146.58817	0.4
147.04385	13.4
147.08028	6.2
149.05945	1.0
151.03909	0.7
153.01814	1.2
153.05457	7.3
157.06483	1.1
161.05991	2.1
161.09581	5.0
163.03853	1.6
165.05449	1.0
167.03381	0.5
171.08015	8.0
172.05206	0.5
173.09570	0.5
174.06769	0.8
175.03900	8.9
175.07500	4.7
175.11220	0.6
177.05435	0.8
179.03377	1.8
184.05173	1.4
187.03864	0.5
189.05530	2.6
189.09077	15.1
199.07509	8.4
201.05411	0.6
203.06964	1.1
203.10669	0.9
205.04880	0.7
207.06467	1.3
217.08569	100.0
218.08936	1.6
219.06511	0.9
220.05162	0.6
221.04453	1.3
221.11777	0.5
225.03972	0.6
233.04396	0.6
235.05779	0.5
235.09593	0.9
245.08073	2.0
245.11713	1.2
248.06700	0.5
258.10739	0.5
263.09116	59.3
263.12503	1.9
263.24100	2.1
264.09418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69718	0.5
56.96555	1.9
62.71810	0.6
69.03434	0.8
70.34296	1.4
70.34660	1.4
77.00882	1.3
81.07034	0.7
82.99847	1.4
85.02905	1.0
95.08549	0.7
95.41599	0.7
97.02878	2.3
98.97574	2.7
101.00871	10.5
102.96841	2.2
104.60564	0.6
105.00391	0.9
113.00863	2.0
116.98599	2.5
117.00423	0.7
119.01913	47.5
119.08571	0.7
120.02003	0.9
120.97883	2.7
121.01670	2.0
131.01901	21.3
133.03468	1.0
134.99655	2.7
137.02945	11.1
138.98938	2.1
139.02676	1.1
142.03517	1.8
143.01881	24.4
144.01874	0.7
145.03429	2.5
149.02953	5.6
155.01883	7.2
157.03464	4.4
161.02948	100.0
162.03149	1.2
163.04482	0.8
167.01917	1.7
173.02954	31.8
175.04514	2.4
177.00909	2.4
177.02426	0.7
179.00662	9.7
179.03993	3.8
179.58479	0.7
184.04575	6.0
185.02916	12.3
191.03973	22.5
197.03000	2.7
203.03990	17.4
214.05537	1.5
215.03973	4.1
218.03542	0.7
219.01956	2.2
219.03940	1.9
220.02029	1.2
221.01767	13.2
221.04922	4.8
227.00856	1.1
233.05034	2.8
239.06078	3.0
243.32169	0.7
245.01839	6.9
245.04851	1.5
251.04199	1.0
258.03125	0.8
261.03036	1.2
263.02896	65.6
263.06122	41.3
263.08719	1.3
264.03131	1.8
264.06177	1.0
281.00238	1.9
281.07233	0.9
282.03372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0912
Annotation	Hibiscanal
Peak:m/z	Relative Intensity
51.35831	0.6
55.01865	1.6
55.05485	1.1
57.07062	1.0
63.01915	0.7
67.05495	3.8
69.03416	1.2
69.44192	5.5
74.06051	1.7
76.99738	0.6
78.94733	0.6
79.05514	1.5
80.37127	0.6
80.40952	0.6
81.07063	1.4
83.04984	0.6
88.07607	3.1
89.07943	1.3
91.05472	4.7
93.07038	1.2
94.20756	0.8
95.04931	0.8
97.02866	0.8
104.81371	0.7
105.07000	2.1
107.04279	0.7
107.04935	2.2
107.08574	1.0
109.49001	0.8
111.00629	0.7
115.05436	1.4
117.06985	2.1
119.04922	2.6
119.08549	2.6
123.08048	0.7
128.06244	3.8
129.07030	5.5
131.04893	1.3
131.08575	1.5
133.02841	3.3
133.06483	2.4
135.04407	1.0
135.08044	0.8
136.01570	0.7
137.05956	3.0
143.08522	0.9
145.06480	1.5
146.07265	1.3
147.04388	2.0
147.08006	1.9
150.03114	1.4
151.07503	1.6
157.06482	3.1
159.04391	0.7
160.05142	1.1
161.05937	2.2
161.09598	1.7
163.03935	2.0
163.07527	1.0
165.01796	0.8
165.05420	1.3
169.22070	0.6
171.08063	1.1
174.06786	2.2
174.88655	0.6
175.03984	0.9
175.07521	7.0
177.05444	2.6
178.02602	6.5
181.04848	1.1
185.06018	3.6
187.03934	1.7
187.07520	1.1
189.01830	2.0
189.05435	2.4
189.09116	2.5
191.03391	2.3
192.04150	2.0
192.07739	1.7
193.04970	12.3
193.08556	1.6
194.02058	12.4
197.04457	1.1
202.06229	2.4
203.03380	0.8
203.07025	5.7
205.04955	9.8
206.02100	5.8
207.06529	3.9
207.10211	0.9
209.04427	35.0
213.05428	4.1
215.21965	4.0
217.04951	2.8
217.08580	4.0
219.02866	4.3
220.03616	2.2
220.07304	7.6
221.04449	9.4
221.08014	2.5
225.03653	0.7
230.05722	1.1
231.06464	3.0
232.07191	1.1
233.04416	23.2
234.05209	2.5
235.05914	2.4
235.09624	8.9
245.08018	4.1
248.06789	5.2
263.09122	100.0
263.24081	13.2
264.09479	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0912
Annotation	Nigrolineabiphenyl A
Peak:m/z	Relative Intensity
53.55961	1.1
55.01853	3.0
55.05508	1.2
55.12091	1.0
56.96539	1.2
65.03925	1.9
65.53339	1.1
67.05506	6.5
68.36791	1.0
68.99783	1.1
69.03441	2.2
69.07070	8.2
70.06567	1.9
71.52232	1.1
71.52672	1.5
71.81422	1.1
77.03957	1.1
79.05479	5.8
81.07046	5.6
83.04981	3.1
83.16768	1.1
88.07641	2.7
91.05459	8.7
92.74807	1.0
93.07027	5.1
95.04953	4.8
95.08591	4.0
97.02891	1.4
97.06535	1.6
102.09197	1.3
103.05457	4.4
105.07043	11.7
106.74833	1.0
107.04959	3.4
107.08583	4.0
109.06514	3.8
109.10168	2.4
111.04494	1.2
115.05455	4.7
117.07062	1.5
118.04132	1.9
119.04916	4.1
119.08561	4.7
121.06464	2.9
121.10166	3.4
123.04411	9.7
123.08067	2.2
125.05951	1.1
128.06194	4.6
129.06999	6.7
131.04910	5.0
131.08543	4.7
131.44035	1.1
132.05708	1.2
133.02847	2.3
133.06461	8.6
133.10121	3.2
135.04396	1.2
137.05974	4.4
141.06920	1.2
142.07770	2.4
143.04898	2.7
143.08546	3.1
145.06474	3.5
147.04398	4.4
147.08028	5.1
150.03104	1.6
151.07533	2.6
153.05473	1.7
157.06461	3.8
157.10130	4.3
159.04407	1.9
159.08109	1.8
160.05193	1.9
161.05949	10.4
161.09602	2.6
161.13260	1.8
162.06735	1.4
163.03867	1.6
163.07549	2.3
164.04652	1.3
165.05437	2.7
167.03439	1.3
167.08427	1.3
171.08026	3.4
171.11737	1.2
173.05986	1.9
174.06737	2.7
175.03864	2.8
175.07552	11.6
175.11205	3.4
177.05476	7.9
178.02594	4.1
179.07092	1.6
180.07770	2.0
185.05948	3.6
185.09593	3.2
187.02266	1.3
187.03856	2.7
187.07533	4.6
188.04680	2.6
189.01810	1.5
189.05479	16.5
189.09119	4.8
191.03381	3.0
192.04185	3.2
192.07780	1.6
193.04942	10.9
193.08554	3.6
194.02080	8.1
195.06511	1.4
195.08092	3.2
197.04395	1.3
199.07536	3.0
201.20407	3.2
202.06148	2.1
203.03276	2.1
203.07024	15.3
203.10664	6.4
205.04936	9.8
205.08481	1.3
206.02161	3.8
207.06529	38.5
207.09869	1.9
209.04445	25.9
213.05482	3.7
215.03362	2.8
217.05013	2.3
217.08598	9.2
217.12202	2.9
219.02879	4.2
219.06551	2.4
220.07294	9.0
221.04440	9.4
221.08067	4.1
227.07065	1.8
227.10625	3.7
230.05707	3.1
231.06528	2.9
231.10147	2.8
232.07036	1.6
233.04417	16.6
233.08047	3.4
234.05130	1.5
235.05872	2.3
235.09621	9.0
235.13261	3.1
245.08025	7.7
245.11714	30.8
248.06741	7.9
263.09143	100.0
263.12726	22.3
263.24045	11.3
264.09576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1435
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
53.03932	0.7
55.01876	2.4
55.05512	3.1
56.46999	0.5
57.05792	0.9
58.06583	0.7
58.99568	1.4
67.05475	1.3
69.03416	1.1
69.07057	3.2
70.06593	3.0
71.52332	0.7
72.08146	0.6
79.05489	5.3
81.07056	0.6
83.04957	1.8
83.08607	0.9
84.04488	0.7
84.08106	0.9
86.09692	1.0
86.99055	1.3
88.02207	0.5
91.05447	1.8
94.06541	0.9
95.04939	1.8
97.06521	17.8
103.05450	0.7
105.03304	0.4
105.07018	0.6
105.93812	0.5
107.04944	3.3
108.08094	1.6
114.94747	0.4
116.01691	2.6
116.07087	6.4
117.05701	0.8
118.06503	1.4
119.04970	0.6
120.07259	0.8
120.08092	13.1
121.06490	1.7
123.04403	3.8
124.05216	1.0
130.06499	0.9
131.04904	1.4
132.06548	0.6
132.08012	0.8
133.05205	1.1
134.06001	1.2
134.09668	0.5
135.04439	2.9
135.07976	0.5
136.07567	7.7
137.05986	0.9
139.11697	0.5
144.01109	1.1
145.06439	0.7
146.06007	3.7
147.04355	1.1
147.06744	1.3
147.07953	0.4
148.07567	7.1
149.08369	0.6
149.09567	0.5
151.03870	0.8
151.06190	1.1
152.04247	0.8
156.08395	0.5
159.08015	1.1
161.05910	0.5
161.08336	0.8
162.02170	2.1
162.05438	0.8
162.09125	5.0
164.07025	4.5
165.07816	1.9
166.08635	6.0
175.03873	1.0
175.09917	0.5
176.07054	11.8
177.07634	0.5
177.09004	2.4
187.07561	0.8
189.07826	1.4
190.12317	2.2
202.08893	1.6
203.09361	0.5
204.10179	1.0
216.10507	0.9
218.11734	17.4
230.11769	2.5
247.12253	0.5
262.04300	1.3
262.14359	100.0
263.09155	1.0
263.14560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1436
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
55.01852	2.2
55.05498	1.3
57.05803	0.7
58.06582	0.7
67.05481	1.2
69.03410	0.7
69.07059	3.1
71.05000	0.6
71.62009	0.5
72.08164	0.7
73.58680	0.5
79.05486	6.2
81.07052	1.4
81.65419	0.5
83.04970	2.2
84.08118	0.9
86.09673	0.7
91.05497	3.3
93.07015	0.6
94.06551	0.7
95.04954	2.0
97.02915	0.5
97.05926	1.0
97.06521	15.2
98.20712	0.9
99.72123	0.5
101.19337	0.6
103.05415	0.6
105.06979	0.6
106.06569	0.5
107.04942	2.8
108.08116	2.1
109.46928	0.5
115.05446	0.7
117.05710	1.3
118.06530	3.4
120.08078	3.1
121.05247	0.7
121.06462	2.1
121.34000	0.5
122.05999	0.7
123.04410	3.6
128.93329	0.6
131.04941	1.0
131.07402	0.5
131.08543	1.0
132.08060	1.2
133.05217	1.6
134.05992	1.4
134.09697	0.8
135.04404	2.0
136.07564	10.2
145.06458	0.7
146.06006	5.7
147.04459	0.6
147.06761	1.7
147.07933	0.7
148.07558	7.7
149.08289	0.7
151.03827	0.7
151.06238	1.4
157.06535	0.6
159.08005	1.5
160.07542	1.6
162.05473	2.3
162.09142	6.6
164.07082	5.8
165.07837	2.1
166.08640	4.4
176.07068	11.8
177.09045	2.6
188.06996	0.8
189.07780	1.4
190.12228	2.5
204.10208	3.4
218.11760	15.0
225.80536	0.6
230.11769	6.4
262.14359	100.0
263.05371	0.8
263.14676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39852	0.7
53.51957	0.8
56.96555	1.3
69.03424	1.0
70.53039	1.4
73.02900	1.4
81.43475	0.6
82.99835	1.8
84.08163	0.8
85.02853	1.9
86.99283	0.9
94.99809	0.7
95.78138	0.6
96.08199	0.6
97.02878	1.6
98.97581	1.6
101.00192	1.2
101.00867	22.7
105.00337	0.7
105.43433	0.6
108.48230	0.6
113.00867	4.3
115.02378	0.9
119.01904	43.5
131.01889	22.2
133.03456	0.7
137.02921	4.6
139.03914	1.5
143.01875	36.9
145.03432	2.0
149.02907	4.4
155.01865	11.0
157.03439	1.4
161.02936	100.0
162.03160	2.0
167.01862	0.8
173.02939	34.2
174.03146	0.9
175.04532	0.8
179.03964	2.3
184.04543	3.7
185.02956	4.6
190.98564	0.9
191.03984	19.9
197.02896	1.1
200.68881	0.7
203.03984	20.4
208.99716	1.0
215.04059	1.9
221.05061	4.5
233.05019	1.9
239.06039	1.4
245.05019	1.4
263.01657	1.5
263.06018	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12759	0.4
53.03936	3.4
55.01860	1.1
55.05505	14.9
57.03427	1.9
57.07068	4.4
65.03931	2.3
67.05496	48.4
69.03449	0.4
69.06678	0.7
69.07059	14.4
71.04994	2.3
71.08614	1.6
77.03905	1.2
79.05482	64.1
81.07045	57.4
82.07389	0.5
83.04965	0.9
83.08607	7.7
85.06535	4.2
85.10180	0.7
91.05467	34.5
92.71661	0.5
93.07030	83.2
94.07365	0.7
95.04954	6.8
95.08594	41.7
95.87737	0.5
96.08900	0.5
97.06507	4.2
97.10137	2.9
99.08070	3.7
100.25827	0.5
103.05450	0.5
105.04505	1.5
105.07017	22.2
107.04927	0.5
107.08579	53.3
108.08887	0.8
109.06493	3.5
109.10141	16.3
111.08067	3.1
111.11703	0.6
113.09631	1.7
116.03333	0.5
117.06998	8.5
119.08567	19.1
121.10128	45.2
123.08048	1.7
123.11686	4.7
125.09631	1.4
129.07050	0.9
130.07806	1.2
131.08546	18.2
133.10110	15.2
135.08047	1.0
135.11674	36.0
137.09622	1.9
137.13223	2.1
139.11156	0.9
142.07831	0.5
145.10106	21.5
147.11674	11.7
149.09619	1.0
149.13237	27.6
151.11160	1.3
151.14816	0.9
153.12715	1.2
159.11674	13.2
161.13219	11.3
163.11134	0.8
163.13414	1.1
163.14793	20.5
165.12729	1.3
171.11656	0.6
173.13232	10.9
175.14798	6.0
177.12773	0.8
177.16362	6.0
179.14297	1.6
187.14786	8.2
189.16367	0.8
201.16364	7.4
203.17860	0.5
205.15814	0.6
215.06976	1.0
215.17796	2.2
217.19437	0.8
219.17464	1.1
227.77823	0.5
231.88773	0.5
233.22577	1.0
243.21057	32.2
261.07458	1.0
261.22098	100.0
262.22440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.44773	1.4
53.03931	3.6
55.05505	16.3
57.03431	1.7
57.07064	5.3
65.03915	2.1
67.05498	48.8
69.07060	14.1
69.47085	1.2
69.86949	2.8
69.87363	3.6
71.04967	2.1
71.08617	1.4
79.05485	71.1
81.07047	56.5
83.08618	8.5
85.06525	4.1
91.05470	31.4
93.07034	82.4
95.04925	5.7
95.08592	39.1
97.06518	3.7
97.10161	2.8
98.20885	1.7
99.08059	4.1
105.07014	22.6
107.08582	56.6
109.06469	1.8
109.10142	17.3
111.08051	5.6
117.07034	8.6
119.08556	14.5
121.10135	50.3
123.08039	2.3
123.11686	4.9
131.08551	17.0
133.10114	13.6
135.08063	1.3
135.11676	36.2
137.09525	1.6
137.13263	1.5
145.10117	14.8
147.11667	11.6
149.13248	29.6
159.11673	10.8
161.13263	9.7
163.11163	1.6
163.14809	24.5
165.12703	1.6
166.68613	1.0
173.13226	13.1
175.14790	5.1
177.12695	1.1
177.16364	6.3
179.14241	2.3
187.14806	7.1
189.16307	1.4
191.14435	1.3
201.16322	2.6
203.52794	1.2
215.17958	1.5
219.70995	1.1
223.05963	1.3
243.21057	33.3
261.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	1.3
55.05505	17.6
57.03428	1.1
57.07074	5.4
58.04713	0.6
58.41244	0.8
61.36747	0.8
65.03932	1.9
67.05495	50.8
69.01383	0.7
69.07060	16.1
71.04989	2.8
71.08627	1.6
73.45929	0.7
79.05486	71.6
81.07047	65.1
83.04981	1.4
83.08614	8.3
85.06532	5.1
89.06532	0.7
91.05473	34.6
93.07033	94.1
95.04961	6.7
95.08597	46.3
96.08928	0.8
97.06503	4.8
97.10169	3.2
99.08087	4.1
103.05463	0.8
105.04520	1.3
105.07021	25.7
107.08581	56.8
109.06490	3.2
109.09385	1.0
109.10145	20.6
111.08062	3.6
111.11726	0.9
113.09666	1.2
116.34223	0.7
117.06995	9.6
119.06046	1.0
119.08572	19.7
121.10133	49.4
123.08045	2.5
123.11681	5.8
129.06973	0.7
130.07697	0.8
131.07587	1.3
131.08556	19.5
133.10117	19.5
135.11676	40.4
137.09615	2.2
137.13220	2.2
139.11154	1.0
145.10103	21.7
147.11667	13.6
149.09563	1.1
149.12039	1.5
149.13242	31.4
150.78288	0.7
151.11128	1.3
151.14824	0.9
153.12679	1.1
157.10031	0.9
159.11667	15.2
161.13251	12.9
163.11142	0.8
163.13426	1.2
163.14803	24.0
165.12698	1.3
173.13246	12.7
175.14786	5.6
177.12784	0.7
177.16408	6.2
178.19850	0.7
179.14291	1.8
187.14809	9.4
188.83664	0.7
189.16422	1.1
191.14215	0.8
191.87680	0.8
201.16351	8.1
203.17891	0.7
205.15866	0.8
215.17862	1.2
217.19479	1.0
219.17461	0.8
233.22595	1.5
243.21057	37.1
243.65492	0.8
261.22110	100.0
262.14539	0.8
262.22409	1.7
273.45920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05501	16.6
57.03421	2.0
57.07063	5.2
65.03922	2.6
66.11826	0.9
67.05496	49.2
69.07064	15.2
70.66731	3.3
71.04956	2.6
71.08614	1.6
72.58087	0.8
79.05482	69.9
81.07044	56.7
83.04952	1.4
83.08610	8.9
85.06518	4.4
91.05466	40.0
93.07030	85.7
94.29312	0.8
95.04965	5.2
95.08595	41.9
97.06511	3.3
97.10138	2.8
99.08054	3.8
105.07014	24.0
107.08578	53.5
109.06488	3.3
109.10139	14.4
110.04219	1.0
111.08045	3.6
113.09599	1.3
117.07013	8.9
119.06078	1.0
119.08566	19.0
121.10127	48.5
123.08064	1.9
123.11644	4.9
130.07822	1.0
131.08545	20.5
133.10127	14.5
135.11671	37.5
137.09598	1.4
145.10107	16.2
147.11673	11.9
149.09613	1.6
149.13243	26.5
151.11215	1.0
159.11655	12.1
161.13258	11.9
163.14809	22.2
165.12715	1.9
173.13240	10.4
175.14789	3.7
177.12767	1.2
177.16365	7.3
179.14314	1.0
187.14838	8.1
189.16336	1.3
201.16385	3.8
210.38560	1.0
215.17924	1.3
226.19884	0.9
234.62814	1.0
243.18549	1.6
243.21056	34.6
261.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1182
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
55.05499	2.2
56.05027	2.5
56.96564	1.9
68.05035	1.6
70.06582	4.1
70.28379	3.4
70.28778	3.7
74.02428	3.9
74.06094	2.0
79.05501	2.3
84.08128	4.8
85.68008	1.5
86.09680	4.7
88.03985	2.6
103.05485	2.3
114.05459	2.2
116.98549	1.7
117.05743	6.1
118.06528	4.6
119.15707	1.7
120.08057	4.9
129.07042	3.9
129.10248	2.7
130.06514	64.2
131.07291	6.9
132.04420	2.6
132.08072	5.3
133.07597	7.1
134.05998	3.0
142.06523	3.6
143.07253	8.5
144.08080	16.0
145.07600	6.3
146.05995	18.9
147.09140	4.6
148.07509	9.0
154.06509	11.5
156.06848	3.0
156.08034	20.3
157.07597	100.0
158.06012	14.0
158.08383	13.6
159.06819	2.4
159.09160	12.2
160.07629	5.4
161.07114	5.3
162.05487	5.9
169.07579	3.6
170.06007	2.3
171.09160	27.8
172.07549	11.0
173.07088	17.5
174.05479	3.6
174.07800	2.5
175.08632	13.8
176.09125	2.1
181.07605	10.7
182.05943	7.8
182.08362	3.8
183.09171	5.4
184.07547	3.5
185.07089	44.0
186.05421	4.8
187.08646	4.5
188.09430	4.7
189.10211	12.3
198.10173	14.1
199.08659	28.9
200.07095	6.6
200.11790	2.1
201.10237	10.7
203.08142	92.7
204.06607	5.5
209.07079	6.0
216.11322	26.5
217.09715	8.6
219.07628	2.0
221.43384	2.3
224.48991	1.8
227.08139	39.0
244.10800	6.7
245.09189	39.8
245.11505	2.8
246.07657	3.0
262.11893	45.2
262.14496	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.73932	6.6
55.05495	15.1
55.73366	5.8
57.07069	11.9
66.39645	6.4
67.05488	45.7
69.07050	25.5
69.84489	15.8
69.84882	19.3
78.44896	6.1
79.05483	72.3
81.07050	57.0
83.08602	10.3
85.06460	7.2
91.05463	41.8
93.07040	79.0
95.08598	60.4
97.06472	8.2
98.21442	7.3
105.07024	34.9
107.08588	48.1
109.10113	19.7
116.25678	6.3
117.07023	13.9
119.08550	32.1
121.10116	40.7
124.77497	6.5
130.47731	6.6
131.08569	50.0
133.10117	32.2
134.36974	6.1
135.11676	39.9
145.10120	33.9
147.11664	23.1
149.09593	7.7
149.13165	23.0
151.96733	8.4
159.11655	25.0
161.13219	29.3
163.14795	9.8
173.13182	14.7
175.14732	11.0
177.16357	8.0
184.54936	6.5
187.14795	18.5
201.16391	20.7
243.21069	65.6
254.03868	7.1
261.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
55.01851	1.5
55.05509	15.6
57.03400	1.1
57.07053	3.8
58.47304	1.2
65.03902	1.0
67.05498	46.7
69.07059	16.1
70.43610	3.6
71.08596	2.5
79.05486	67.7
79.08040	1.2
81.07047	50.5
82.62067	1.3
83.08609	8.1
85.06503	3.7
91.05472	33.3
93.07034	84.5
95.04964	7.2
95.08600	38.3
97.06496	2.5
97.10136	3.9
99.08054	4.1
105.07024	22.4
107.08583	57.1
109.06493	3.6
109.10144	15.5
111.08052	3.6
117.07021	7.8
119.08562	15.1
121.10130	50.7
123.08071	1.2
123.11713	6.3
129.06938	1.4
131.08549	16.5
133.10107	14.2
135.11682	39.6
145.10114	19.8
147.11673	12.5
148.04266	1.3
149.09593	1.4
149.13249	27.9
151.14764	2.0
159.11679	10.9
161.13231	13.1
163.14790	19.5
165.12804	1.7
173.13251	9.9
174.54706	1.2
175.14818	5.0
177.16351	5.1
179.14261	1.3
185.94991	1.1
187.14850	6.3
201.16344	3.2
215.17863	2.5
233.22588	1.9
243.21049	29.8
261.22107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02393	0.9
53.03941	3.3
55.01877	0.7
55.05501	15.0
57.03418	1.9
57.07067	4.7
65.03931	2.0
67.05496	44.6
69.07063	15.2
71.04984	2.5
71.08610	1.8
72.78307	0.6
77.03939	0.7
79.05485	64.0
81.03427	0.8
81.07046	52.7
83.04980	1.4
83.08617	7.7
85.06532	3.9
91.05473	32.1
93.07032	80.8
95.04948	5.0
95.08595	39.3
96.60837	0.5
97.06004	0.6
97.06512	3.5
97.10163	2.9
99.08103	3.7
105.04481	1.3
105.07023	22.9
106.07358	0.7
107.08578	53.3
109.06482	1.8
109.10146	18.1
109.10843	1.2
111.08061	3.9
113.09595	1.2
114.00078	0.5
115.05470	0.6
117.07014	6.5
118.45084	0.6
119.08566	17.2
121.10130	44.5
123.08089	1.1
123.11705	5.1
123.51591	0.5
125.09621	1.6
127.84076	0.6
129.06961	0.7
130.07770	0.9
131.08548	16.5
133.10114	14.7
135.08067	0.9
135.11673	35.6
137.09612	2.1
137.13246	1.3
145.10104	25.7
146.10800	0.8
147.11673	12.7
149.09610	0.9
149.13245	29.4
151.11179	1.6
151.14801	0.8
153.12692	0.8
159.11678	16.3
161.13228	14.1
163.14796	22.1
165.12755	1.2
171.11649	0.9
173.13234	13.3
175.14795	4.7
177.12784	0.7
177.16313	5.7
179.14288	2.1
187.14793	7.3
189.16318	0.9
192.66183	0.6
201.16365	11.2
203.17973	0.8
205.15894	0.7
215.17920	2.1
233.22592	1.1
243.18483	1.2
243.21049	32.4
261.22107	100.0
262.22458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05496	3.2
57.07073	1.1
67.05486	8.3
69.07072	2.4
70.65726	3.1
79.05490	6.0
81.07040	11.7
87.62292	1.2
91.05476	10.2
93.07030	15.0
95.08601	25.1
97.82589	1.2
102.83669	1.3
105.07018	30.0
107.08578	37.2
109.10146	6.2
115.05547	1.6
117.07010	10.3
119.08566	20.3
121.10162	7.1
128.06277	1.3
129.07002	3.0
130.07748	6.7
131.08559	27.6
133.10135	9.4
137.40210	1.0
143.08554	3.0
144.09290	5.7
145.10110	89.8
146.10887	3.6
147.11690	10.1
154.50948	1.1
158.10892	2.7
159.11678	72.2
171.11615	2.1
173.13243	22.0
183.15929	1.3
198.38353	1.3
201.16360	100.0
202.16748	1.4
219.17482	2.1
228.75778	1.5
261.18515	15.3
263.75873	1.2
278.73126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
51.02359	0.5
53.03931	2.3
53.50002	0.4
54.54905	0.3
55.01864	1.0
55.05506	16.3
57.03434	1.7
57.07068	5.0
59.04996	0.3
60.49881	0.3
60.62594	0.4
65.03938	1.8
67.05499	51.7
68.05854	0.4
69.07063	16.0
69.54517	2.3
71.04992	2.1
71.08621	1.3
72.58410	0.3
77.03919	1.0
79.05486	69.3
79.23213	0.3
81.03422	0.7
81.07048	59.5
83.04963	1.5
83.08613	7.9
85.06536	4.3
85.10203	0.5
91.05473	37.0
93.07035	88.4
93.12920	0.4
94.07363	0.8
95.04967	6.0
95.08599	48.3
97.06517	4.1
97.10161	3.5
99.08085	4.1
103.05437	0.8
105.04515	1.5
105.07021	27.7
105.99392	0.3
107.01131	0.4
107.08582	63.8
109.06509	2.8
109.10145	17.0
111.08067	3.2
111.11682	0.9
113.09618	1.2
115.05418	0.7
116.06193	0.9
117.07001	9.4
119.06067	0.7
119.08571	24.7
121.06516	0.7
121.10132	48.5
122.10448	0.6
123.08056	2.2
123.11707	5.0
125.09605	1.3
129.06966	1.7
130.07784	2.2
131.08554	24.1
133.10118	18.1
135.08075	0.9
135.11678	36.6
136.11925	0.4
137.09599	2.1
137.13211	1.5
139.11156	0.7
143.08525	1.3
144.09317	2.3
145.10110	38.8
146.10789	0.7
147.11670	16.6
149.09612	1.1
149.13245	29.5
151.11166	1.2
151.14780	0.7
153.12714	0.9
158.10863	1.0
159.11678	27.8
160.12190	0.5
161.13251	12.4
163.11214	0.6
163.14810	22.8
165.12744	1.8
171.11636	0.9
172.12476	0.5
173.13245	17.2
175.14775	5.0
177.12755	0.7
177.16377	5.3
179.14265	2.2
186.14175	0.4
187.14812	7.3
189.16348	1.3
191.14355	0.5
201.16362	27.3
202.16728	0.7
203.17973	0.7
205.15793	0.7
211.17641	0.3
215.17871	2.1
217.19548	0.8
219.17442	1.3
233.22552	1.4
238.01091	0.3
243.06563	0.4
243.21065	34.7
244.21434	0.4
249.55316	0.3
261.22110	100.0
262.22479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03929	3.8
55.01855	1.6
55.05502	14.5
57.03430	1.5
57.07054	4.5
65.03923	2.8
67.05495	41.2
69.07054	16.5
71.04961	2.5
71.08610	1.2
71.53413	2.0
77.03887	1.8
79.05013	2.6
79.05479	52.6
81.07043	67.2
83.04932	1.5
83.08603	8.0
84.28634	1.1
85.06533	4.6
91.05466	32.7
93.07030	79.5
95.04946	5.6
95.08591	57.6
97.06496	4.8
97.10143	1.9
99.08057	3.9
105.04522	1.9
105.07006	29.1
107.08574	75.5
109.06487	3.3
109.10139	18.0
111.08080	4.0
116.06197	1.2
117.06997	10.4
119.08564	29.4
121.10123	44.6
123.08016	2.1
123.11678	3.5
129.06950	1.5
130.07764	3.2
131.08539	31.8
133.10092	18.1
135.11667	34.2
137.09602	2.1
137.13235	2.3
143.08534	3.3
144.09334	4.7
145.10097	69.6
146.10793	1.6
147.11636	11.8
149.09627	1.3
149.13232	26.0
154.69730	1.3
157.10080	1.9
158.10918	2.2
159.11662	25.7
161.13219	11.8
163.13452	1.5
163.14793	23.9
165.12677	1.5
171.11708	1.4
173.13245	29.1
175.14798	4.2
177.16402	7.2
179.14224	3.2
187.14806	8.0
189.16295	1.5
191.14359	1.3
201.16348	65.2
205.15996	1.4
215.17841	1.5
217.19525	1.4
221.83958	1.3
243.21053	34.8
261.07492	1.4
261.18585	7.4
261.22076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76663	1.1
55.01665	1.1
55.05503	2.5
59.02641	1.1
59.57336	1.2
67.05492	8.6
69.07056	2.7
69.43474	10.9
79.05479	9.4
81.06599	2.4
81.07048	38.4
91.05469	13.1
93.07037	25.0
95.04935	2.0
95.08593	40.1
96.16824	1.3
98.21495	2.3
105.07012	26.1
107.08582	68.7
109.06487	1.7
109.10132	8.8
115.05417	1.8
117.07005	8.4
117.82201	1.2
119.08567	27.7
121.09334	1.6
121.10133	15.1
129.06976	4.0
130.07764	4.6
131.08554	36.1
133.10136	10.3
135.11792	1.5
136.58667	1.2
143.08562	3.7
144.09331	7.9
145.10104	99.3
146.10944	2.9
157.10146	2.2
158.10919	1.9
159.11679	37.6
171.11682	1.3
173.13246	38.7
201.16364	100.0
202.16760	2.6
213.51236	1.1
257.54642	1.3
261.18530	9.0
261.22025	3.2
262.14352	2.7
272.34961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85832	0.8
53.03937	1.5
55.05505	2.1
57.07061	1.4
65.03978	0.8
67.05495	7.3
69.07050	3.4
69.77596	4.7
72.70610	0.9
79.05485	8.7
81.07049	31.8
81.07533	1.6
83.08624	0.8
91.05471	15.0
93.07034	22.6
95.04969	1.8
95.08601	37.3
103.05432	1.1
105.07017	27.8
106.34064	0.8
107.08582	59.6
109.06493	1.5
109.10146	6.8
115.05421	1.3
116.06216	1.7
117.07009	8.9
119.07712	1.2
119.08569	22.8
120.08858	0.9
121.10132	12.0
128.06219	0.8
129.06973	4.7
130.07779	5.6
131.08556	32.3
133.10115	7.0
142.07729	0.8
143.08498	4.5
144.09273	5.9
145.10110	97.8
146.10789	3.1
147.11678	2.1
157.10130	1.8
158.10884	2.9
159.11684	38.1
171.11588	1.0
173.13245	33.8
187.07552	2.3
201.09174	2.0
201.16368	100.0
202.16684	2.4
215.06975	5.4
229.08588	1.9
261.04031	1.0
261.07562	4.0
261.10950	3.8
261.18445	11.9
267.03741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1847
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
51.02366	0.6
53.03943	1.0
55.05507	1.0
57.07065	1.0
67.05499	8.1
67.08083	0.5
68.89175	0.6
69.07055	3.5
69.07378	0.5
69.32194	0.6
70.56396	2.3
77.03972	0.5
79.05486	8.7
81.07044	38.2
83.08598	0.8
91.05467	13.1
93.07030	27.5
95.04939	1.6
95.08595	38.3
97.51392	0.6
103.05504	0.7
105.06300	1.2
105.07015	24.3
107.08574	60.2
109.06514	1.4
109.10140	6.3
113.06499	0.6
115.05431	1.3
116.06228	1.0
117.06994	8.1
119.08565	26.9
121.10133	11.7
121.39428	0.6
126.66108	0.5
128.06227	0.8
129.06992	3.3
130.07771	6.0
131.08546	36.4
133.10117	8.3
135.11700	0.5
140.10991	0.5
143.08546	4.3
144.09319	7.1
145.10103	100.0
146.10915	4.3
157.10075	2.0
158.10904	2.3
159.11673	37.2
160.12195	0.8
171.11653	1.7
173.13231	33.3
175.14833	0.9
186.14001	0.7
201.16350	98.2
202.16687	1.3
261.07410	1.1
261.18439	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	261.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	16.7
59.75516	0.5
60.95836	1.1
68.63166	0.5
69.79386	3.3
71.95254	1.5
74.97581	1.3
80.81940	0.6
81.03381	0.7
84.08106	2.2
84.96012	2.3
87.20024	0.5
92.27849	0.6
92.98619	0.6
98.97573	43.5
99.97916	1.1
100.97162	1.0
101.00862	4.1
102.96868	4.2
103.00607	0.7
110.97555	2.2
116.98611	29.4
119.01048	0.7
119.01909	13.0
120.02028	0.9
120.97906	3.0
124.99159	0.7
127.00678	0.9
128.98601	4.0
129.10159	0.5
131.00140	1.1
134.99648	13.1
135.99921	0.7
137.02956	3.6
138.98912	1.4
140.00102	0.7
140.98613	2.7
143.00150	3.6
145.03438	1.8
146.99620	1.6
149.01292	0.6
149.04903	0.6
153.00708	1.8
155.00150	1.0
158.01215	0.8
158.99637	3.9
161.01219	4.7
161.02917	2.3
170.99651	2.9
171.01459	0.8
173.01219	2.5
173.02806	0.7
177.00905	15.0
182.99878	0.7
189.00681	4.0
189.02443	2.9
191.02209	2.3
201.00757	3.7
201.02336	0.6
206.97375	0.7
207.01753	0.7
212.92372	0.6
214.91940	0.6
214.96574	8.2
217.04031	2.3
218.95265	0.7
219.01907	23.0
220.02087	1.7
221.01691	0.6
225.00862	2.6
231.01729	0.9
232.93037	0.7
232.96626	0.5
236.95827	0.7
237.02779	6.2
237.98540	9.2
238.98283	3.0
242.98430	0.6
242.99606	0.7
243.01910	6.9
250.93983	0.7
255.95079	1.6
256.96634	5.5
260.99838	6.6
261.03009	100.0
262.03131	5.6
263.03250	1.0
264.95557	1.1
265.45493	0.7
272.94281	2.6
273.44482	0.7
273.94254	3.3
274.44095	0.7
274.94543	0.9
274.97675	2.8
278.96759	4.9
279.00537	10.7
279.03824	3.9
279.98270	1.2
284.04678	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	261.0754
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
51.02394	1.6
51.64328	0.8
53.03931	1.7
55.01867	0.8
56.20329	0.8
65.03915	1.0
67.05489	2.6
69.03397	1.3
69.07063	1.0
69.08026	0.7
69.31982	0.8
76.84879	0.9
79.01846	2.1
79.05483	6.8
81.03414	2.8
81.07053	2.7
91.05467	24.8
93.07038	1.5
95.04955	1.8
95.08599	2.3
103.05453	3.0
105.03358	1.8
105.07016	2.7
107.01283	4.6
107.04943	5.9
107.08604	2.0
109.02869	5.2
109.06508	1.8
115.05441	14.3
116.06227	7.9
117.07025	4.6
119.04951	4.4
119.08568	1.9
121.06558	0.8
121.10127	1.3
123.04459	1.7
128.06207	8.3
129.06979	6.0
131.04892	3.3
131.08549	19.8
133.10068	1.0
135.04404	12.0
135.11720	1.0
141.06967	18.0
143.08557	2.4
144.05704	7.4
145.06502	3.8
145.10075	1.4
147.04356	1.7
147.11671	0.8
155.03362	1.4
155.05998	1.0
157.10085	0.9
159.04407	1.2
159.08032	25.9
159.11679	1.4
168.05698	1.0
169.06453	10.3
169.07724	1.0
171.04497	0.9
172.05197	2.2
173.05988	3.8
175.03949	1.1
177.05382	1.0
181.01077	1.1
187.07478	17.6
197.05962	11.5
200.04832	1.7
201.05457	6.2
201.09102	1.3
201.16353	1.4
214.06190	1.8
215.07005	24.6
225.05507	7.5
243.06494	100.0
244.06863	1.4
247.05804	0.9
261.04553	1.6
261.07532	19.8
261.10706	1.3
261.18613	2.4
261.22018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05025	1.9
56.96561	24.8
58.00472	0.5
58.06584	0.7
59.07376	0.7
60.04512	1.0
60.08167	1.2
60.95833	1.0
60.96542	0.5
69.03434	1.1
69.07061	2.4
69.94585	0.5
70.06586	2.4
70.18086	2.6
71.95248	1.1
72.08141	1.7
73.08470	0.7
74.97601	2.6
79.05496	0.9
81.03434	0.9
81.07058	0.7
83.04963	0.9
84.04499	10.7
84.08133	11.7
84.96023	4.4
85.02898	1.5
85.08481	2.8
86.09698	100.0
87.10040	1.2
91.05514	0.7
92.98631	1.0
93.07034	0.8
96.08132	0.7
97.02888	1.3
98.97577	27.2
101.00917	0.7
102.05525	3.6
102.96878	1.3
107.04957	1.0
110.97540	3.1
112.99129	0.7
116.98607	17.9
119.01922	3.4
120.97915	1.3
121.01684	1.6
121.02847	0.6
121.06504	0.6
123.04409	0.8
124.03888	0.9
124.07596	0.7
124.99104	1.3
127.00652	0.8
128.98596	5.8
129.10223	2.4
130.05002	5.1
130.08643	1.1
131.00145	1.6
131.01898	1.0
134.99649	9.6
135.04362	0.7
137.02919	0.8
138.98952	0.7
139.03906	1.1
140.98579	3.4
143.00146	7.0
144.12175	0.9
145.01718	1.7
145.03484	1.0
146.99629	5.3
147.03288	1.3
147.11261	0.7
148.06033	17.3
149.01221	2.0
152.98636	1.0
153.00700	1.4
157.01718	0.9
158.99649	7.8
159.11725	1.0
161.01237	7.5
161.02910	1.2
163.03958	0.8
167.08107	0.8
170.99667	4.2
173.01253	4.3
173.02763	1.2
174.99136	0.8
175.02812	2.0
177.00703	8.2
179.02223	1.1
182.99655	1.1
185.01292	0.7
189.00694	7.0
191.02242	4.7
191.03755	0.7
193.00311	0.9
193.03844	1.1
195.01759	1.6
196.74908	0.6
197.12723	0.6
201.00729	5.5
201.02405	1.1
201.16405	0.8
203.02345	0.7
207.01762	1.0
215.07071	0.6
219.01727	11.6
219.03532	1.4
237.02780	11.9
242.03346	0.6
243.13406	1.4
261.02972	6.8
261.05862	8.1
261.09912	0.8
261.14316	8.0
277.30545	0.6
278.96906	2.4
279.00897	1.3
279.03766	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	261.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.7
56.96559	35.4
57.03420	0.8
58.06600	0.6
60.08153	0.9
60.95842	1.5
61.35497	0.5
65.14256	0.5
67.05508	0.7
68.05088	0.5
69.03442	0.8
69.07060	5.2
70.06577	1.8
70.96227	0.9
70.96578	0.9
71.04980	0.5
71.95264	1.0
72.08163	3.1
73.02916	0.5
73.08482	0.8
74.97593	5.1
84.04497	9.0
84.08136	14.0
84.96018	5.5
85.02895	1.7
85.08453	4.0
86.09697	100.0
86.97580	0.6
87.10043	1.4
92.98640	1.7
97.02881	1.4
97.99166	0.6
98.97572	38.7
99.04490	0.6
101.00844	0.7
102.05521	3.8
102.96882	2.8
107.04955	1.4
108.79160	0.5
109.10078	0.6
110.07099	0.9
110.97553	4.9
112.99111	1.3
113.03475	0.6
114.05481	0.6
116.98609	29.0
119.01946	3.3
120.97880	2.9
121.01660	1.2
123.04402	1.0
124.99104	1.1
127.00674	1.1
127.03883	0.6
128.98595	9.6
129.03963	1.1
129.10240	2.4
130.04988	5.5
130.08620	1.8
130.10619	0.5
131.00191	3.3
131.01906	0.8
133.03467	1.2
134.99626	13.6
137.02953	1.2
138.98962	1.7
139.03845	0.5
140.00182	0.7
140.98598	5.4
143.00148	10.2
144.12253	0.9
144.98096	0.9
145.01773	2.1
145.03450	0.9
145.10135	1.0
146.99614	8.5
147.03285	0.7
147.05034	0.7
147.07660	0.9
147.11264	1.3
148.04857	1.2
148.06029	16.1
148.07915	0.8
149.01192	2.0
149.04834	1.4
151.03873	0.7
152.98624	1.8
153.00629	2.7
155.00218	1.5
158.01265	1.1
158.99648	11.8
159.11574	0.5
161.01230	13.6
161.02925	1.7
163.02676	0.8
165.00742	1.5
170.99655	6.3
173.01247	7.8
173.02850	1.3
174.99150	1.6
175.02789	1.3
175.04372	0.9
177.00735	9.7
179.02312	1.8
182.99658	1.0
184.02904	0.5
184.04544	0.6
189.00682	10.7
191.02251	6.4
191.03822	0.9
193.00323	1.5
195.01756	1.5
197.12788	0.8
201.00725	8.7
201.02483	1.5
201.16508	0.6
203.02242	0.9
203.04028	0.7
207.01791	2.1
208.96736	0.7
209.53627	0.7
213.00714	1.3
218.96677	0.7
219.01743	15.9
221.05112	1.1
229.03210	2.2
231.01785	1.0
237.02803	16.1
242.03398	0.8
243.01730	1.3
243.04662	1.0
243.09525	0.7
243.13289	1.1
255.03856	1.1
260.95828	0.9
261.02942	15.5
261.05838	15.4
261.09811	1.3
261.14264	8.1
261.20053	1.8
271.08707	0.7
278.96951	5.2
279.00665	1.7
279.03748	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	260.1603
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05034	5.0
56.96564	3.8
69.03443	0.9
69.07053	3.0
70.06586	2.2
71.36326	1.7
72.08147	4.1
81.03420	0.9
83.06099	41.2
84.04500	54.1
84.08138	24.0
84.08541	0.3
84.96011	0.9
85.02903	2.0
86.09701	100.0
90.05553	1.0
95.04962	0.8
96.04486	0.7
97.02918	1.0
98.97569	4.1
101.07138	4.6
103.57794	0.7
106.83414	0.6
112.07622	0.7
116.07100	0.8
116.98627	2.6
121.00990	0.6
126.70142	0.6
127.03954	0.8
128.98613	0.9
129.06554	3.6
129.10233	6.0
130.04991	0.8
130.06573	0.6
130.08614	3.9
132.10191	18.6
132.11185	1.1
134.99649	1.3
140.72339	0.6
141.06577	1.5
143.01656	0.8
143.11874	1.4
144.06554	2.8
146.99579	1.1
147.07652	1.1
147.11253	4.2
150.84485	0.7
157.13351	20.2
158.99760	0.8
161.09250	2.9
163.03966	0.8
163.82338	0.6
171.01088	3.0
171.11275	0.8
177.00688	0.8
185.12846	4.7
189.00746	0.7
189.12354	2.3
195.46286	0.7
196.14420	6.8
197.12851	18.3
201.00804	0.7
219.01767	0.8
225.12347	1.6
237.02776	0.8
242.14972	39.1
243.13377	16.9
243.17204	1.5
260.13428	1.1
260.16208	1.4
260.19547	4.1
273.02689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05503	11.7
57.07056	3.6
65.03932	2.8
67.05502	13.2
69.07056	37.0
71.04983	22.1
71.45257	5.3
79.05480	7.0
81.07045	22.7
83.04962	4.7
83.08591	10.0
85.06524	20.8
86.91497	2.1
89.72685	2.3
91.05450	13.4
93.07027	20.0
95.04939	5.7
95.08600	18.9
97.06531	4.6
105.03419	2.7
105.07013	30.3
107.08578	22.1
109.06488	9.0
109.10148	16.1
111.08063	14.3
111.21931	1.9
117.06976	11.8
119.08569	63.2
121.10117	16.3
123.08038	2.3
123.11679	24.7
129.06996	4.2
130.07787	3.0
131.08530	17.0
133.10110	40.9
135.08026	12.8
135.11711	6.4
137.09601	5.1
142.07733	4.1
143.08531	9.4
144.09314	3.8
145.10109	40.7
147.11685	22.0
149.13112	2.9
151.11180	2.4
156.09351	3.3
157.10056	14.1
159.11685	35.0
160.12486	2.6
161.09601	3.2
161.13231	38.1
170.10899	5.2
171.11671	17.1
173.13269	15.5
175.11235	6.2
175.14804	88.4
176.15524	4.3
177.12787	3.9
177.16444	3.1
178.11012	2.2
184.12453	2.5
185.13203	17.6
189.12746	5.6
189.16402	7.2
190.13498	4.6
199.14792	8.8
201.16359	32.2
203.14299	12.7
215.17876	6.4
217.19495	2.7
218.09024	2.1
241.19470	16.6
256.31882	2.1
259.20554	100.0
260.20712	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	260.1027
Annotation	Lenalidomide
Peak:m/z	Relative Intensity
54.32890	1.4
54.89230	1.3
56.05035	7.9
57.30658	1.4
61.54841	1.5
69.07033	2.4
70.06579	3.2
71.51608	2.0
72.08148	3.7
73.07663	5.0
74.02431	4.8
82.02935	1.8
84.04485	3.4
84.08144	18.5
86.09691	23.4
91.05481	2.2
101.07127	3.8
113.05984	2.7
115.05446	2.0
117.07041	1.5
118.06504	7.5
129.06586	3.1
129.10217	4.6
130.06532	5.9
130.08621	2.6
132.06873	3.6
132.08092	2.3
132.10204	11.8
133.05212	4.7
133.07584	2.6
140.03439	1.9
142.06497	5.5
143.11777	3.4
144.08070	4.4
145.06514	3.5
145.07596	6.1
146.05992	36.1
147.06760	7.6
147.11360	1.6
154.06519	3.3
155.06079	1.7
156.06740	6.9
157.05225	5.3
158.06018	5.1
159.06761	6.0
159.09163	12.1
160.07562	10.7
169.07596	43.4
170.05991	18.0
171.05521	30.0
171.09227	2.4
172.07552	9.5
173.07109	11.1
174.05479	5.7
174.07855	28.9
175.08537	2.0
185.04706	4.6
185.07120	3.7
186.07510	2.5
186.10228	2.3
187.08649	34.5
188.07018	4.2
189.12331	9.2
196.08678	8.7
197.07085	61.9
198.05473	4.8
199.08647	6.7
201.06569	20.8
203.05782	1.6
214.09723	100.0
215.08141	4.6
215.10130	1.6
216.06589	4.4
219.07544	2.0
220.08505	3.9
225.06628	6.4
232.10661	2.1
233.09241	3.5
242.09081	2.6
242.15417	1.4
243.07645	42.7
243.17546	1.7
246.58574	1.4
260.10309	52.7
260.13870	7.4
260.16525	2.0
260.19507	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05511	13.7
57.03409	3.1
57.07065	6.3
67.05497	16.8
69.07047	10.4
71.52847	3.4
79.05478	17.6
81.07035	17.0
83.08593	7.7
88.08282	2.8
89.94691	2.8
91.05476	32.4
93.07017	18.2
95.04964	4.4
95.08593	17.5
97.06511	3.0
103.05432	4.3
105.03385	27.2
105.07027	55.9
107.08565	9.4
109.10123	6.2
115.05376	2.6
117.07001	48.5
117.10030	2.8
119.08562	47.8
121.06487	7.4
121.10131	8.0
128.06201	7.4
129.01761	4.2
129.06972	23.2
130.07803	2.8
131.08565	47.8
133.10110	41.2
135.11710	4.0
142.07698	7.8
143.08537	23.8
145.10121	34.5
147.11633	22.8
149.09566	3.5
151.07516	4.9
156.09306	3.9
157.10089	21.4
159.11678	72.6
161.09567	3.1
161.13237	16.4
171.11676	27.3
171.13014	4.3
173.13235	46.6
175.14812	6.6
176.05989	3.5
181.06442	4.3
185.13205	25.7
199.14809	18.1
199.16341	3.4
213.16400	3.9
241.19501	29.1
259.06064	3.2
259.11185	5.5
259.16818	4.9
259.17538	4.2
259.20541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.12443	2.0
55.01855	1.8
55.05488	7.8
57.07062	3.1
59.61743	1.8
65.75616	1.7
66.30716	1.6
67.05493	9.7
69.07059	34.0
69.23335	9.5
69.23765	9.4
71.04986	16.4
79.05473	6.1
81.07047	18.2
83.04944	3.6
83.08584	8.0
85.06527	22.3
86.68599	1.5
91.05458	13.1
93.07029	13.5
95.04964	4.2
95.08586	18.9
97.06509	4.5
97.09003	1.6
105.03384	5.7
105.07019	29.6
107.08565	19.1
109.06467	6.1
109.10154	14.4
111.08051	7.7
117.06981	12.3
119.08566	48.9
121.06519	3.0
121.10086	11.2
123.11686	22.8
128.06129	2.3
129.07002	4.6
130.07735	2.4
131.08536	15.4
133.10107	35.4
135.08008	10.0
135.11687	5.7
137.09637	3.2
137.13179	1.7
142.07771	4.1
143.08505	9.3
144.09322	1.8
145.10097	32.6
147.11667	19.5
149.09570	3.9
149.13173	2.0
155.08446	2.1
156.53123	2.2
157.10120	13.3
159.11659	30.2
160.12456	2.2
161.09666	2.3
161.13249	31.5
163.11163	3.2
170.10858	2.1
171.11623	13.9
173.09602	2.2
173.13248	12.7
175.11182	6.4
175.14798	80.8
176.15498	3.8
177.12793	4.7
177.16364	3.5
185.13239	14.6
189.12743	5.9
189.16342	6.2
190.13544	3.8
191.14211	2.6
199.14766	6.1
201.16356	24.3
203.14281	10.8
215.17896	4.4
217.19363	3.1
241.19427	19.6
259.20554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.9
55.01854	8.3
55.05503	72.1
57.03429	30.6
57.07073	11.0
59.04972	2.3
65.03940	1.6
67.05496	26.4
69.03405	3.8
69.07060	100.0
69.85165	9.2
69.92107	1.8
70.06564	1.8
71.04981	7.6
71.08584	4.9
73.06528	2.5
79.05481	29.3
81.03403	2.6
81.07047	38.5
83.04926	5.3
83.08608	68.8
85.06532	9.0
85.10157	1.6
86.09673	4.3
87.04435	2.3
89.03904	8.4
91.05472	11.5
91.48682	1.8
93.06490	2.1
93.07034	32.9
95.04922	4.4
95.08595	16.6
97.02850	2.4
97.06518	68.4
97.10157	18.3
98.20771	2.2
99.08067	3.2
101.05989	3.4
103.05400	2.0
105.07003	10.3
106.04203	1.7
107.04927	3.2
107.07892	1.8
107.08578	25.2
109.10123	10.2
111.08074	15.8
115.07582	3.5
117.03357	11.6
119.08523	6.3
121.06493	12.0
121.10132	16.3
123.11651	4.2
125.09635	8.8
125.13216	3.3
127.03867	1.8
128.06157	1.9
129.06963	3.8
131.08504	4.0
133.02800	3.1
133.10054	5.3
134.03571	3.7
135.04408	15.8
137.05988	1.8
141.06871	2.2
142.07738	1.6
143.08485	1.8
145.02817	9.9
145.06462	2.2
145.10054	3.8
147.11607	3.3
149.02313	1.5
149.13240	49.6
151.07472	4.7
157.10071	3.8
159.08022	1.9
159.11647	3.0
161.02248	4.0
163.03889	60.9
164.04179	2.8
165.09039	2.1
167.14294	21.2
171.07935	1.6
171.11606	3.6
173.02319	11.9
175.11134	2.3
185.05934	16.8
185.13217	2.2
185.15228	2.0
191.03304	6.7
200.86787	1.5
201.16225	3.2
213.05193	2.1
214.12210	2.1
215.07016	11.8
217.04939	24.0
218.05368	2.3
231.06363	4.5
241.08412	2.4
241.17834	5.7
259.05887	32.0
259.09525	29.8
259.13153	4.6
259.18924	81.8
260.09982	2.7
260.19696	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34488	5.2
55.01873	12.8
55.05500	9.7
56.05035	9.3
56.96560	100.0
57.03442	17.1
57.77746	5.5
60.04522	8.8
61.02918	19.5
69.03422	44.3
70.02897	5.9
70.06588	31.5
71.01357	6.3
71.04974	9.2
71.52087	6.4
72.08155	18.0
73.02907	33.4
74.02452	6.7
74.06062	8.3
79.05482	8.3
81.03408	19.5
83.04985	13.1
83.06103	9.1
84.04487	34.1
84.08138	64.3
84.96011	9.8
85.02901	77.3
86.09712	30.5
91.05470	27.2
93.07021	10.5
95.04937	16.6
97.02883	62.5
97.99221	6.8
98.97571	95.2
99.04456	11.0
100.02183	37.9
102.05553	8.8
103.05427	7.6
105.03350	6.8
105.07018	14.5
107.04958	39.4
107.18793	5.8
109.02872	17.1
110.03538	9.3
110.97556	21.5
112.03973	8.5
112.07578	11.1
113.05984	13.5
116.98600	83.9
119.00294	6.6
119.01801	15.0
119.04961	10.5
119.08525	5.7
121.02862	7.9
121.06527	44.2
127.03924	14.2
127.06156	62.9
128.04552	8.2
128.07068	10.3
128.98592	37.7
129.10201	19.7
130.04942	7.5
130.08626	15.5
131.00206	8.9
134.99658	43.2
135.04419	7.4
136.63393	6.1
137.05933	13.0
139.03900	8.8
140.07072	17.4
143.00150	8.5
145.04999	7.3
146.02682	39.8
146.99651	42.3
147.11328	6.7
149.01219	13.2
149.02342	8.2
151.07518	28.1
156.03311	11.5
158.99625	30.5
161.01212	18.4
161.02917	8.0
161.05957	10.0
165.09102	17.9
170.99596	8.4
173.06038	8.4
174.04449	20.2
174.99084	11.4
177.00703	82.0
178.03850	15.0
182.03349	12.5
184.08820	5.8
186.04558	13.4
186.99330	7.9
187.04404	53.7
187.54523	15.1
189.00719	17.6
189.12766	6.6
191.02316	8.8
191.03918	14.8
195.01758	17.5
198.55035	8.3
201.00708	12.2
204.05449	14.1
211.02759	12.9
213.07063	14.0
214.04977	7.1
216.03278	12.3
217.00201	15.0
219.01752	24.1
220.04897	9.7
223.05556	6.6
229.05554	6.6
231.06468	11.2
235.00984	29.1
237.02785	27.1
241.15529	7.7
250.05923	45.4
250.56163	13.4
253.03877	18.4
259.06198	31.8
259.07220	23.9
259.10214	8.6
259.13098	29.1
270.57205	10.7
271.04858	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.6
55.05508	0.3
55.42319	0.3
56.96557	17.7
58.96161	0.4
70.12876	0.3
71.51105	0.4
71.51508	0.4
71.95260	3.3
74.97631	0.3
91.05494	0.3
92.89697	0.3
93.07033	0.7
95.04967	0.3
98.97566	87.9
99.97896	0.4
100.97136	0.7
100.97991	0.5
103.05445	0.6
105.07027	0.3
107.04919	0.4
111.88209	0.3
116.00191	0.3
116.64635	0.3
116.98601	100.0
117.98940	0.6
118.98215	0.7
118.99000	0.7
119.01875	1.6
121.01683	0.5
121.06499	1.1
125.14719	0.3
134.01242	0.4
134.99632	82.3
136.99185	0.3
137.00076	0.8
137.02919	0.9
140.00156	3.4
149.01170	0.5
151.07567	0.6
153.00684	17.5
158.01239	4.2
174.97647	0.8
176.02306	0.8
177.00943	4.2
178.00996	1.4
179.00737	0.8
181.97401	0.7
182.99847	0.5
192.98625	1.2
199.02634	0.4
201.00870	0.8
216.98601	1.1
219.01973	15.4
220.02048	3.3
221.01915	0.7
234.99565	1.9
236.99290	1.1
240.98560	5.2
252.97150	0.3
258.99707	58.4
259.13248	1.0
259.99896	1.4
262.50119	0.3
277.00748	89.0
278.00943	2.6
279.01166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35958	16.5
56.96558	100.0
69.03425	39.1
71.25396	38.5
79.55334	15.6
84.04493	28.2
84.08100	26.1
84.96008	16.0
85.02880	40.3
97.02871	98.8
98.97565	43.9
101.00831	17.9
116.98604	29.5
119.01889	33.0
122.09650	16.3
145.01772	16.9
147.03242	16.4
149.01236	31.5
156.03603	35.1
169.05176	18.0
177.54208	17.4
178.04922	67.0
191.02235	18.5
194.05167	18.0
209.03316	39.3
215.00381	19.6
235.06621	20.9
259.02103	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	259.0601
Annotation	Alternariol
Peak:m/z	Relative Intensity
51.02362	0.2
55.01870	0.2
59.95677	0.2
65.03918	0.2
67.05493	0.3
68.99784	0.4
71.52101	0.5
79.01847	0.7
79.05481	0.7
81.07068	0.3
91.05484	0.4
93.07030	0.5
97.06511	1.0
103.05470	0.5
105.03364	0.3
105.07027	0.4
107.04943	0.8
115.05424	0.5
119.04967	0.2
121.02854	1.2
121.06506	0.3
121.10152	0.3
123.04409	0.7
128.06209	3.2
129.06998	1.3
133.02826	0.3
133.06444	0.6
139.05396	0.3
145.06459	0.7
149.02335	6.0
149.05972	0.8
150.02917	0.3
151.07465	0.4
155.06015	0.5
157.06467	1.8
160.05135	0.3
161.02330	0.3
161.05981	1.0
163.03893	0.7
165.09232	0.3
173.02370	0.5
173.07106	0.8
175.03888	0.4
175.07533	0.3
184.05118	0.3
185.05965	49.9
186.06305	0.8
189.01785	0.3
189.05510	0.9
195.07962	0.3
202.02557	0.7
203.07053	0.3
213.05438	2.5
215.07033	0.8
217.04974	0.6
229.04846	0.4
231.06519	4.6
241.04845	1.3
241.08510	0.3
259.05997	100.0
260.06342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74481	1.1
53.03949	1.5
55.05505	38.8
57.03418	4.0
57.07066	14.7
59.02928	1.1
61.32048	1.0
65.03922	2.3
67.05498	70.5
69.07062	56.2
69.29581	6.6
69.30005	4.7
71.04983	11.3
71.08620	3.4
73.20932	1.1
78.79337	1.1
79.05480	9.6
81.07047	100.0
83.04957	1.5
83.08611	43.6
85.06541	6.9
91.05470	5.1
93.07030	6.4
95.04990	1.3
95.08595	92.2
96.08836	1.4
97.10157	32.8
105.07012	7.1
107.08564	3.5
109.10144	44.5
111.11687	8.0
111.78085	1.2
117.06993	1.7
119.08559	6.2
121.10123	5.4
123.11694	18.9
125.13252	2.7
127.49593	1.2
131.08545	2.3
136.75868	1.5
137.13232	7.2
145.10063	2.8
147.11668	12.1
148.11951	1.3
151.14754	2.5
153.39522	1.4
157.10068	1.2
165.12711	9.4
165.16338	1.5
183.11694	1.4
221.22615	2.8
239.23706	4.3
257.08051	1.4
257.19006	5.2
257.22137	1.0
258.27884	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	257.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	45.4
57.07063	13.9
65.03922	2.2
67.05499	64.5
69.06678	2.8
69.07060	55.7
70.70488	2.3
70.70825	2.8
71.04990	10.2
71.08632	2.4
79.05477	5.4
81.07045	87.7
83.08609	53.9
85.06535	3.7
88.57585	1.5
91.05479	2.7
93.07034	4.3
95.08598	100.0
97.10152	32.4
99.08054	2.0
105.07047	2.4
107.08601	2.9
109.10146	49.4
111.11707	10.0
117.06980	1.9
119.08554	3.6
121.10120	2.7
123.11693	17.6
125.13231	4.1
129.06964	1.4
131.08521	4.4
133.10147	1.9
135.08009	1.3
137.13248	8.9
143.08540	3.7
145.10143	6.3
151.14819	4.0
157.10127	4.7
159.11644	5.5
165.16325	2.9
171.11618	2.1
173.13211	3.8
177.61565	1.5
183.11607	2.0
197.13229	2.1
199.14763	1.5
213.16350	2.0
215.17928	1.9
221.22618	2.6
237.04494	1.5
238.98521	1.7
239.17897	2.8
239.23608	4.0
257.19019	14.5
257.24747	3.9
262.53513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16369	1.0
53.03932	1.3
54.74210	1.0
55.05504	42.0
57.07063	13.7
65.03896	1.3
67.05495	66.8
69.07059	55.3
69.93208	4.8
71.04973	10.9
71.08632	2.5
73.37177	1.0
79.05489	7.6
81.07044	88.0
83.08607	54.6
85.06535	6.1
91.05456	3.2
93.07032	5.6
95.08591	100.0
96.08923	1.2
97.10156	29.4
98.20760	1.4
99.08109	1.5
100.23227	1.0
105.07014	4.3
107.08590	2.7
109.10141	51.6
111.11697	9.5
113.53819	1.2
117.07012	3.0
119.08528	4.9
121.10114	9.8
123.11689	19.9
125.13266	3.7
129.06973	1.7
130.60146	0.9
131.08542	5.4
133.10086	2.7
135.08015	2.3
135.11688	1.5
137.09587	1.6
137.13229	6.7
142.07773	2.3
143.08551	2.9
145.10088	5.6
147.11621	1.3
149.09621	1.1
151.14772	2.2
157.10127	4.1
159.11705	5.5
161.09630	1.6
165.16359	2.2
169.10144	2.2
171.11723	3.3
173.11974	1.1
173.13170	5.5
179.17923	1.1
183.11700	2.2
184.12344	1.4
185.13295	1.3
188.24014	1.2
197.13194	3.1
199.14857	6.1
201.12715	1.1
213.16328	1.7
215.18114	1.3
221.22578	2.4
239.17923	4.8
239.23590	3.0
257.04330	1.3
257.07944	3.7
257.15256	6.9
257.18994	18.7
257.24698	2.9
257.26947	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	1.3
55.05510	7.4
55.05724	1.0
57.07051	1.9
63.85120	1.2
67.05500	13.0
69.07059	6.5
69.84960	7.8
71.04987	3.4
79.05479	11.1
81.07048	9.5
83.08612	2.3
85.06536	2.7
91.05475	13.2
93.07027	19.3
95.04967	4.6
95.08597	14.8
97.06519	2.0
99.08065	1.4
103.05455	2.4
105.07022	32.7
107.08586	16.1
109.06496	5.2
109.10133	11.2
111.08092	2.8
115.05462	3.2
117.06993	10.7
119.08575	23.6
121.10135	100.0
123.08061	5.3
125.31084	1.3
128.06201	5.1
129.07001	9.2
130.07782	3.9
131.08562	24.9
133.06499	1.3
133.07565	1.7
133.10126	10.7
135.08038	20.4
135.11647	4.0
137.09592	5.2
141.06978	4.9
142.07742	5.8
143.08553	23.2
144.09279	2.1
145.06496	1.6
145.10107	30.9
147.11655	4.0
149.09612	5.0
154.07816	1.7
155.08525	5.5
156.09323	3.7
157.10117	21.3
158.10928	1.7
159.11684	16.5
161.13211	1.9
163.11244	3.4
167.08525	1.8
168.09364	3.2
169.10109	13.6
170.10916	1.6
171.11690	13.6
173.09647	2.9
173.13245	18.7
175.11194	2.0
177.12677	3.3
183.11682	13.0
184.05241	4.1
184.12440	3.1
185.13274	5.1
187.11185	4.3
187.14796	2.4
195.11644	1.8
195.23567	1.8
197.13214	8.5
199.14796	38.9
201.12703	4.5
211.14757	2.3
213.16357	7.3
214.17107	2.9
215.14407	2.3
215.18028	8.1
239.17938	19.3
257.08032	1.7
257.15106	4.6
257.18991	96.4
257.26440	7.3
258.05145	6.2
258.19220	1.9
258.28052	2.9
272.45743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2108
Annotation	Isoalbrassitriol
Peak:m/z	Relative Intensity
51.46390	1.7
53.79042	1.8
55.05513	16.0
57.03437	28.2
57.07071	80.5
60.08157	2.8
62.40177	2.2
67.05499	21.7
69.07056	10.4
71.08621	33.2
71.32278	2.6
71.32594	2.6
79.05470	3.1
81.07055	22.5
83.08604	12.0
85.06527	3.6
85.10175	22.7
89.06020	6.5
91.05470	6.7
93.07039	5.7
95.08597	40.6
97.10155	6.8
99.11712	3.4
103.07578	6.5
105.07018	5.9
107.08613	3.9
109.06438	2.0
109.10155	25.6
115.67094	2.2
117.07001	6.9
119.08555	4.5
121.10125	3.9
123.08066	3.2
123.11675	4.2
124.52709	2.2
131.08531	10.0
133.10085	3.3
135.69423	2.1
137.09534	2.8
143.08572	5.4
145.10130	12.7
147.11687	3.2
155.08452	2.5
157.10136	5.4
159.11676	6.8
165.16396	2.9
169.03496	2.9
169.10146	3.7
171.11662	4.3
173.13206	3.0
183.11702	3.5
183.17415	16.1
185.13159	3.7
186.64209	1.9
187.11218	2.4
197.13243	3.7
199.14877	3.0
201.12587	3.0
201.16231	2.0
201.18472	9.5
239.14041	2.4
239.17961	4.4
257.08023	2.6
257.15222	6.9
257.18881	18.2
257.21146	100.0
257.26691	4.8
257.30298	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	257.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74481	1.1
53.03949	1.5
55.05505	38.8
57.03418	4.0
57.07066	14.7
59.02928	1.1
61.32048	1.0
65.03922	2.3
67.05498	70.5
69.07062	56.2
69.29581	6.6
69.30005	4.7
71.04983	11.3
71.08620	3.4
73.20932	1.1
78.79337	1.1
79.05480	9.6
81.07047	100.0
83.04957	1.5
83.08611	43.6
85.06541	6.9
91.05470	5.1
93.07030	6.4
95.04990	1.3
95.08595	92.2
96.08836	1.4
97.10157	32.8
105.07012	7.1
107.08564	3.5
109.10144	44.5
111.11687	8.0
111.78085	1.2
117.06993	1.7
119.08559	6.2
121.10123	5.4
123.11694	18.9
125.13252	2.7
127.49593	1.2
131.08545	2.3
136.75868	1.5
137.13232	7.2
145.10063	2.8
147.11668	12.1
148.11951	1.3
151.14754	2.5
153.39522	1.4
157.10068	1.2
165.12711	9.4
165.16338	1.5
183.11694	1.4
221.22615	2.8
239.23706	4.3
257.08051	1.4
257.19006	5.2
257.22137	1.0
258.27884	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	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03934	0.8
55.05511	4.0
56.34718	0.9
57.07059	1.9
59.04992	1.7
59.57688	0.8
61.47739	0.8
65.03921	1.0
67.05486	5.5
69.07066	6.4
71.04978	3.3
71.08638	0.8
79.05481	5.7
79.22216	0.8
80.25310	0.9
81.07047	6.3
81.44382	0.9
83.04958	2.0
83.08585	2.1
85.06528	3.9
91.05495	7.8
93.07037	15.6
95.04456	0.9
95.04951	4.1
95.08593	9.9
97.06512	2.5
98.20787	1.5
103.05451	1.7
105.07024	21.3
107.08585	12.7
109.06529	6.4
109.10136	8.9
111.08076	1.7
115.05453	1.6
115.88222	0.8
117.07026	5.5
119.08575	20.0
121.06506	1.2
121.10133	58.2
123.08054	3.4
123.11698	2.0
128.06207	3.1
129.06989	5.3
131.08539	12.0
132.05058	0.8
133.07574	1.2
133.10129	10.8
135.08037	12.2
135.11659	2.5
137.09625	5.1
138.74226	0.8
141.06944	2.6
142.07755	6.8
143.08559	19.6
144.09319	3.3
145.10109	18.0
147.08026	1.1
147.11688	3.1
149.09579	3.6
151.11186	1.6
153.07007	0.8
154.07631	0.9
155.08521	5.6
156.09355	4.0
157.10120	24.0
158.10945	4.7
159.08115	1.5
159.11673	22.1
161.09560	2.5
161.13243	1.9
163.11154	3.8
165.38986	0.8
168.09346	2.7
169.10098	11.2
170.10863	2.7
171.11705	12.5
173.09604	3.1
173.13246	28.9
174.13998	3.1
175.11139	2.3
175.14754	3.1
177.12721	1.1
181.10094	0.9
182.10912	2.4
183.11668	11.6
184.12440	3.7
185.13248	3.1
187.11168	8.7
187.14769	4.4
189.12741	2.3
193.95958	0.9
195.11555	1.4
197.13196	8.9
199.11020	1.1
199.14801	36.1
201.12743	8.7
209.13321	1.3
213.16344	11.7
214.17114	2.9
215.14395	4.1
215.17882	8.1
217.67775	1.0
224.15569	1.7
229.15903	1.4
229.19653	1.0
239.17958	11.7
257.18979	100.0
257.26459	4.0
258.19440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03927	0.9
54.21365	0.6
55.05496	0.7
65.03934	5.5
66.99025	0.6
67.05492	2.2
69.07045	0.6
70.92614	1.4
79.04966	0.6
79.05459	1.8
81.07033	1.3
82.02918	1.6
83.04966	0.7
84.08162	0.9
91.05457	2.2
92.05003	7.9
93.05769	1.0
93.07021	1.2
94.06542	2.9
95.04933	2.1
95.08624	1.0
105.07019	1.7
107.08551	0.8
110.06016	1.8
115.05441	0.8
117.05763	0.9
117.06903	0.7
118.06474	0.7
119.08544	1.3
120.04448	4.4
122.06021	4.1
125.42558	0.7
128.17772	0.6
129.06985	1.6
130.06514	1.7
131.07298	0.9
131.08519	1.6
132.08107	2.0
134.05977	2.2
135.06718	0.8
136.07561	1.7
141.07013	0.9
142.06508	0.9
142.07730	0.9
143.07384	1.4
143.08551	1.7
144.08064	2.6
145.08955	1.2
145.10069	1.3
146.09575	1.2
147.11646	0.7
150.09126	1.0
154.06482	3.0
155.07219	1.2
156.08018	3.2
156.13815	1.2
157.08885	1.2
157.10109	2.0
158.05942	1.1
158.09604	1.3
159.09177	2.0
159.11623	1.5
160.07555	3.8
162.09143	0.7
164.07034	3.0
167.08626	0.8
168.08133	3.1
169.08842	7.0
169.10106	1.2
170.05910	0.9
170.09573	1.5
171.09134	3.2
171.10387	1.8
172.07535	1.6
172.09949	2.3
173.07045	1.1
173.08376	1.0
173.10741	1.3
174.09100	1.0
174.12749	1.1
182.05879	1.6
183.06764	2.5
183.09174	3.2
184.07608	4.2
184.11227	9.4
185.07039	3.2
185.10739	5.7
186.07736	0.8
186.09146	0.9
186.11461	11.0
186.12784	0.9
187.08617	3.6
187.09996	1.5
188.10623	1.6
190.08525	0.9
195.09198	1.5
196.07687	1.3
196.09944	1.5
197.08351	7.9
198.09175	1.7
199.08553	8.3
200.09401	14.7
200.11028	1.2
200.13097	1.4
201.10158	3.0
201.13838	15.4
202.12279	2.6
202.87700	0.7
203.03345	0.8
211.08684	3.4
211.12242	0.9
212.10713	15.6
213.06589	10.2
213.10159	11.2
214.07358	2.2
214.10825	10.8
224.09457	1.8
225.07855	0.8
227.08116	9.5
227.11769	0.9
228.08853	19.6
229.09804	22.3
229.13322	58.5
230.11729	2.2
230.13782	1.6
239.11836	2.5
240.10210	4.1
241.09673	18.1
242.10475	28.3
257.04355	1.7
257.12830	100.0
258.11084	10.0
258.13376	2.1
264.76514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98646	0.4
56.96560	21.0
69.03416	0.9
70.06579	1.6
70.07691	0.4
71.52281	0.8
71.95248	3.6
80.03714	0.5
82.41104	0.4
84.08126	1.3
85.02893	0.8
86.09692	0.8
97.02887	0.9
98.97572	100.0
101.00883	0.5
110.07130	1.5
111.07128	0.3
116.98609	73.4
119.01914	2.0
121.02869	0.4
121.23994	0.4
127.03901	0.6
128.98555	0.5
130.93272	2.2
131.00134	0.4
131.01855	0.5
134.99643	37.8
140.00185	2.0
145.03436	0.4
146.02272	0.4
148.03734	0.4
148.94322	0.5
153.00681	3.5
158.01259	1.4
163.02794	0.4
163.04416	0.7
172.94315	4.4
190.95403	6.3
208.96460	2.3
214.95372	1.6
221.03142	0.5
232.96426	7.1
234.10048	0.4
241.94106	0.4
250.97531	5.2
251.02444	0.4
256.96396	7.6
257.05054	0.6
274.97473	59.6
275.97821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
50.17916	0.6
50.77517	0.5
52.97412	0.5
53.03935	0.8
53.88729	0.5
55.05507	0.8
57.03431	0.6
57.07072	0.5
67.05491	2.4
68.99787	1.7
69.07066	1.3
71.52514	0.9
79.05486	1.1
81.03405	6.4
81.07055	2.1
91.05476	8.6
93.07039	0.7
94.15128	0.6
95.04944	1.4
95.08610	1.5
96.02063	0.7
104.53868	0.5
105.07001	1.4
107.04922	1.0
107.08620	0.6
109.02849	0.8
109.10142	0.6
111.04404	1.2
117.03349	2.9
117.07011	0.9
119.04937	15.5
119.08582	0.8
123.04435	2.8
127.03935	1.1
129.06984	1.0
131.08589	2.1
133.10118	1.0
135.04454	0.9
137.02327	100.0
138.02670	1.0
141.07031	0.8
143.08530	1.2
145.10139	2.2
147.04398	36.3
147.11697	1.0
155.03419	1.2
155.08507	1.2
157.10100	1.2
159.08180	0.7
159.11696	1.6
163.03903	1.6
165.06963	1.8
165.14799	0.5
165.31276	0.5
169.10158	0.7
171.08145	0.6
171.11647	1.4
173.13268	0.8
183.08067	1.4
183.54297	0.5
187.07533	0.9
187.14839	0.5
197.05966	0.6
197.13286	0.7
211.07497	5.9
229.08684	0.8
239.06996	5.4
239.17946	1.1
242.05754	2.8
257.08069	80.6
257.18887	3.7
258.08423	1.9
258.10999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
55.05491	6.8
57.07053	4.9
67.05489	11.4
69.03418	11.9
69.07042	7.3
69.07386	1.4
69.34187	1.3
69.88034	5.4
69.88441	2.6
71.04993	7.9
79.05489	10.1
79.05890	2.2
81.07043	43.0
83.04969	2.4
83.08598	4.2
85.06527	6.4
86.09690	1.8
87.04450	33.0
91.05453	9.2
93.07037	11.5
95.04961	2.9
95.08594	13.0
97.06499	5.2
97.10175	1.5
98.20819	1.7
98.98448	29.4
105.07022	9.0
107.08576	84.9
109.06505	6.5
109.10143	3.1
109.50519	1.4
111.04410	2.3
111.08049	2.1
113.05988	42.9
113.06787	2.3
114.49318	1.4
115.03907	46.1
119.08556	16.8
121.02831	2.6
121.10123	6.6
123.08062	2.6
123.11686	100.0
125.05957	4.8
125.09591	3.6
127.03923	2.0
128.06134	1.8
130.95682	1.5
131.08508	4.1
133.10109	13.1
135.08029	3.9
135.11658	17.7
137.09674	2.0
139.07533	2.3
139.11241	1.9
142.07715	2.5
143.08508	4.1
145.10156	2.5
149.09613	4.8
149.13228	6.6
155.08531	2.3
156.09383	2.1
157.10077	5.6
159.11653	9.4
161.09607	6.1
169.10028	3.2
173.13214	4.3
176.98857	1.8
177.12697	17.1
179.10638	10.5
180.81418	1.6
181.08554	5.7
181.10117	2.3
182.10757	2.4
185.09642	2.1
191.14279	12.3
195.11734	2.9
195.13692	3.7
197.13194	3.5
201.12711	2.8
209.13408	2.5
209.15308	12.5
211.14813	4.2
212.17856	1.7
213.05469	1.7
213.16348	2.1
219.13751	22.4
237.14671	8.8
255.06569	5.3
255.10481	2.0
255.17769	13.6
255.20346	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30537	1.3
53.03936	4.6
55.01852	3.8
55.05505	27.6
57.03432	56.3
57.07058	4.5
60.27280	1.3
60.31178	1.4
65.03937	1.6
67.05499	79.7
68.05827	1.3
68.99793	1.5
69.03423	2.6
69.07060	28.7
70.18511	4.2
71.01347	8.0
71.04985	8.6
72.08143	1.7
79.05487	67.6
80.05826	1.6
81.03405	7.8
81.07047	41.6
82.17491	1.2
83.04973	18.9
83.08621	7.1
85.02895	1.7
85.06542	7.5
91.05475	30.7
93.07035	84.4
95.04945	8.7
95.08598	13.2
97.06521	19.8
97.10159	18.7
98.98453	21.4
99.04416	1.6
99.08078	3.1
105.07020	7.2
107.04954	2.7
107.08585	52.1
109.02887	1.4
109.06499	3.7
109.10146	9.3
111.08084	3.8
111.11697	2.0
115.05396	1.4
117.06990	7.9
119.08570	10.1
121.06517	2.8
121.10136	12.0
125.09608	4.7
130.07745	2.8
131.08598	1.4
133.10127	6.9
135.08122	2.9
135.11681	100.0
137.09578	3.3
143.08536	2.0
145.10135	18.6
152.05347	1.9
153.12750	3.8
163.11163	11.2
181.12225	16.0
199.13191	1.9
211.14578	1.6
227.06810	1.6
237.70714	1.3
255.06268	6.9
255.15790	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.13092	1.4
53.03925	4.9
54.68830	1.6
55.01864	4.5
55.05269	2.2
55.05507	25.9
57.03160	2.8
57.03429	49.3
57.07071	7.6
57.40420	1.4
65.03925	2.9
67.05497	80.6
69.03436	1.9
69.07062	26.9
69.88082	6.2
71.01329	6.6
71.04981	8.9
72.54574	1.5
79.05016	2.6
79.05486	70.5
81.03408	10.2
81.07046	42.0
83.04974	24.1
83.08611	8.7
85.06511	6.3
91.05470	31.0
93.07032	83.0
95.04980	9.2
95.08595	15.1
97.06528	24.2
97.10161	16.5
98.20849	3.0
98.98456	28.9
99.04446	2.1
99.08090	5.6
105.07025	9.8
107.04961	3.2
107.08578	56.9
109.06528	2.0
109.10136	12.2
111.04368	1.7
111.08056	3.2
116.99543	2.4
117.07019	6.5
119.08566	12.1
121.06527	2.7
121.10125	12.0
125.09589	2.7
131.08536	1.9
131.37093	1.5
133.10126	5.3
135.11671	100.0
137.09601	4.4
143.08482	3.3
145.10094	13.2
153.12793	2.7
157.10078	2.2
157.37514	1.6
163.11180	12.4
180.82353	1.6
181.06456	2.1
181.12186	10.3
197.13235	2.7
219.04689	1.6
255.06439	6.4
255.10316	2.3
255.15744	53.0
255.21208	2.0
256.16287	2.0
256.26514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01863	3.0
55.05507	29.1
57.03430	53.2
57.07057	4.0
58.62856	1.8
59.76258	1.9
60.71032	1.7
62.31071	2.1
67.05133	4.5
67.05496	82.1
69.03429	2.5
69.07061	27.2
71.01351	6.5
71.04972	8.4
79.05486	83.1
81.03400	9.3
81.06597	3.2
81.07050	41.4
83.04980	23.7
83.08602	8.4
85.06525	8.1
90.66409	2.3
91.05467	33.3
93.07035	88.1
95.04928	9.9
95.08597	18.2
97.06516	26.5
97.10153	18.4
98.98454	40.5
99.08070	5.9
105.07008	9.1
107.04922	2.8
107.08573	58.5
109.06495	4.5
109.10130	12.5
109.71316	2.2
111.08076	4.9
111.11624	2.4
117.07022	10.0
119.08578	11.2
121.06466	2.6
121.10126	13.5
125.09627	3.9
130.07788	2.6
131.08585	2.0
133.10115	6.2
135.11676	100.0
137.09589	3.8
143.08488	3.5
145.06422	2.1
145.10120	17.5
153.12685	4.0
163.11139	17.2
181.10139	1.9
181.10648	2.1
181.12219	15.9
181.41594	2.1
255.06570	6.1
255.10184	3.2
255.13324	4.5
255.15788	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	255.1126
Annotation	4,7-Dimethoxy-1-vinyl-beta-carboline
Peak:m/z	Relative Intensity
53.03930	1.7
55.01868	1.2
55.05506	5.8
57.03425	8.5
57.07060	1.0
65.03931	8.7
67.05495	14.7
68.61884	0.8
68.99771	0.8
69.03415	1.1
69.07056	8.4
70.08021	3.2
71.01341	1.1
71.04970	2.0
79.05488	12.6
81.03384	2.2
81.07042	7.1
82.02930	1.1
82.06554	0.9
83.04981	3.8
83.08599	2.5
85.06508	1.6
91.05468	6.5
92.04987	10.1
93.07024	15.9
94.06564	1.9
95.04937	3.4
95.08595	3.4
97.06530	5.4
97.10136	2.7
98.97801	1.1
98.98452	15.3
100.98886	1.9
103.05435	1.3
105.06996	2.1
106.06530	2.5
107.08591	8.3
109.10110	2.6
110.06039	1.0
111.08069	1.5
115.05435	2.2
117.05767	1.0
117.07033	2.0
118.06520	1.5
119.08559	2.3
120.04445	3.6
120.08083	1.0
121.06460	0.9
121.10120	2.0
122.06019	1.0
125.09623	1.7
127.03960	1.0
128.06171	1.5
129.06985	3.0
130.06503	2.7
131.08557	1.9
133.10100	1.1
134.05977	3.5
135.08069	1.0
135.11671	15.9
136.07573	1.6
141.06949	2.0
142.06548	1.5
142.07726	1.4
143.07280	2.2
143.08562	2.9
144.08031	3.0
145.08913	0.9
145.10094	3.5
146.05945	1.9
148.07443	1.1
152.06238	1.5
153.06952	1.9
153.12651	1.8
154.06459	2.8
154.07703	2.0
155.06000	1.1
155.08516	2.4
156.06845	1.4
156.08063	2.8
157.08835	3.0
157.10092	1.9
158.05937	1.5
158.09598	1.8
159.09091	1.4
160.07512	1.5
161.07085	1.1
162.05482	6.3
163.11211	1.6
165.06976	3.4
167.07304	10.0
167.08559	1.9
168.08041	4.7
169.05278	1.1
169.07646	4.8
169.08730	4.1
169.10054	1.6
170.08359	2.3
170.09633	1.9
171.09158	2.0
172.07593	1.3
172.11224	2.1
173.07101	1.6
180.08168	1.3
181.07594	1.7
181.08885	1.6
181.12128	1.8
182.09674	8.5
183.06760	1.0
183.09175	9.1
184.06284	1.7
184.07610	2.1
184.09818	7.9
184.11375	5.1
185.07060	1.9
186.09137	1.5
187.08673	2.9
191.07297	1.0
192.08029	1.5
194.08379	1.0
195.06734	3.1
196.07552	2.3
197.06963	13.3
197.08472	2.2
197.10817	2.6
198.07738	5.0
198.09349	1.0
199.08682	5.8
199.12294	20.0
200.10716	3.8
206.36882	0.8
209.07060	2.4
209.10747	3.7
210.09088	7.7
211.08601	22.6
212.09230	20.5
212.11063	1.8
213.06685	0.9
213.10219	2.4
217.14343	1.7
222.07945	2.1
225.06540	11.8
225.10045	3.9
225.22362	0.9
226.08762	1.2
226.10808	1.9
227.08304	20.0
227.11740	50.1
228.10193	2.0
237.10242	4.0
238.08591	2.6
239.08102	13.4
240.08900	29.1
253.09644	1.8
254.10344	0.8
255.06541	9.0
255.11259	100.0
255.15836	9.4
256.09506	9.7
263.70096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03920	5.2
53.79828	1.7
55.01849	4.0
55.02422	1.8
55.05273	1.9
55.05505	28.2
57.03156	2.9
57.03428	50.5
57.07049	5.0
64.38257	1.6
65.03918	2.5
67.05495	82.9
69.03410	2.3
69.06729	2.5
69.07059	28.9
70.58857	5.9
71.01338	4.5
71.04971	6.7
79.05480	87.4
81.03407	10.8
81.07044	40.3
83.04973	25.7
83.08614	8.3
85.06514	6.8
91.05463	32.0
93.07028	90.8
95.04953	10.6
95.08601	12.3
97.06008	2.0
97.06522	22.9
97.10157	15.7
98.98445	12.1
99.04452	2.0
99.08055	5.5
100.15527	1.6
105.04476	2.1
105.07001	8.0
107.04947	2.7
107.07885	3.7
107.08577	56.8
109.06449	2.6
109.10144	11.1
111.08086	4.3
117.07031	8.3
119.08575	12.1
121.06440	3.6
121.10119	12.1
125.09602	6.2
131.08575	1.7
133.10094	6.2
135.11671	100.0
136.11949	2.3
137.09592	2.6
143.08556	1.8
145.10086	18.3
151.11159	1.6
153.12766	3.8
157.10033	2.1
163.11169	11.3
181.12228	13.4
209.16534	1.8
226.93025	1.6
255.15793	47.2
255.18164	2.5
255.25102	4.6
256.26199	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2159
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03941	2.4
55.05508	17.8
57.03427	3.1
57.07077	3.2
58.84481	1.3
63.67385	1.5
65.03914	1.8
67.05496	90.7
67.36794	1.3
69.07062	29.3
69.98660	6.7
71.04989	6.5
71.33232	1.3
76.52861	1.3
76.97504	1.2
79.05485	32.7
81.07048	86.2
83.08603	18.7
85.06538	11.0
91.05473	9.4
93.07035	41.3
95.04951	2.7
95.08596	100.0
97.06518	6.5
97.10126	6.3
98.98457	93.0
99.08072	9.9
105.07024	4.7
107.08574	22.3
107.09282	1.6
109.10139	28.0
111.08067	5.2
113.09698	1.4
116.99536	2.6
119.08566	4.9
120.95377	1.5
121.10128	44.3
123.11691	9.6
125.09632	1.9
133.10120	5.2
135.11674	57.4
137.13217	2.1
139.11127	2.4
140.01108	1.5
147.11679	4.4
149.13242	9.2
152.19527	1.3
154.71080	1.6
161.13266	3.4
174.99194	1.5
175.14760	2.9
217.19513	6.0
235.16927	2.2
235.20515	11.3
253.19695	1.5
253.21629	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	254.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.5
56.05011	2.1
56.96309	1.0
56.96559	12.7
57.03413	2.2
67.05494	1.1
68.04992	2.7
69.03404	2.6
69.07040	0.8
70.03730	0.8
70.06580	4.7
71.04966	1.0
71.51528	1.1
72.08109	2.3
73.02891	1.4
73.77271	0.7
79.05490	5.0
80.04996	1.1
81.03378	2.6
81.04508	1.7
81.07047	16.2
82.05292	2.3
83.05654	0.9
83.06097	16.9
84.04453	1.5
84.08100	2.4
84.96000	1.1
85.02870	3.4
86.09671	0.8
87.04432	0.9
91.05469	4.8
93.04023	1.0
93.04517	11.8
95.04963	1.8
95.05531	1.5
95.06083	26.4
96.06419	0.9
97.02846	2.9
98.06018	4.7
98.97543	7.9
98.98422	16.4
99.08115	0.9
105.07034	1.0
107.04936	8.6
107.06046	2.2
108.04424	1.1
109.02818	1.8
110.07154	87.3
110.97516	0.8
111.05533	2.5
111.07467	0.9
112.07616	4.2
112.08663	3.2
116.98598	6.8
116.99378	1.2
119.01800	1.4
119.04937	4.5
120.06805	1.6
120.07174	0.9
120.08086	15.6
121.02850	4.1
121.06458	2.3
121.08434	25.2
123.04388	3.3
123.05473	0.8
125.07065	2.8
127.03878	1.6
128.98524	1.9
130.08624	1.3
131.00148	0.8
131.04840	1.0
133.06468	1.5
134.99640	6.0
135.04350	1.8
135.06761	2.8
136.03891	0.9
136.06178	1.4
136.07507	1.3
137.05959	2.1
138.06540	1.8
146.05923	1.6
146.99583	1.3
147.04369	1.0
148.03929	1.1
148.07545	6.0
149.01102	1.0
151.12193	0.9
153.05467	1.1
156.07716	4.8
158.01221	1.0
158.99617	1.3
161.01123	1.1
163.04414	1.4
163.12289	43.1
164.03357	1.8
165.05383	1.7
167.11708	2.4
172.95218	1.4
177.00642	1.0
178.03792	2.3
180.02853	5.2
180.12537	2.8
181.13248	2.0
182.99689	0.9
189.04018	1.3
190.08502	1.0
190.13387	18.2
193.13258	3.7
194.06682	1.2
194.12886	1.7
195.11266	13.4
204.05302	1.6
208.09764	9.6
208.14435	59.5
209.12759	2.7
210.16045	1.2
211.08916	0.9
214.95433	0.8
236.05357	1.2
236.09177	1.5
236.13766	0.9
237.02687	1.2
248.99074	1.8
249.02676	1.0
254.14914	100.0
255.15337	1.7
267.00192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
55.01866	1.5
55.05503	3.4
56.96550	1.6
57.03422	1.8
57.07063	1.7
62.02506	0.8
67.05495	7.8
69.03424	4.4
69.07064	4.7
70.06532	0.6
71.04971	1.7
71.52602	0.8
71.52990	0.6
72.18311	0.6
79.05494	7.4
81.03414	1.4
81.07047	21.2
81.07534	1.2
83.02377	0.8
83.04966	1.4
83.08601	1.6
85.02878	0.9
85.06516	1.5
86.06042	0.9
91.05463	6.1
93.07035	9.6
95.04974	3.3
95.08587	7.3
97.02899	2.4
97.06531	4.8
98.98457	100.0
99.04466	1.1
103.05469	0.7
105.07013	9.3
107.04947	13.8
107.08575	9.1
109.06494	3.6
109.10145	5.8
111.04437	0.8
111.08067	17.0
115.05482	0.8
116.99473	3.3
117.07014	2.0
119.08569	11.1
121.02847	1.9
121.06487	4.3
121.10137	7.6
123.04433	1.2
123.08016	3.3
123.11684	1.1
125.09635	1.1
127.07554	0.8
127.57171	0.7
128.06274	0.8
129.07021	1.1
131.08597	3.6
133.06528	0.9
133.10115	9.7
135.08022	5.7
135.11676	2.0
137.09608	2.7
139.11145	1.6
140.01079	0.9
141.05453	0.8
142.07761	1.1
143.08585	1.9
144.09442	0.7
145.10133	3.2
147.08031	4.2
147.11687	6.4
149.09607	2.4
149.13264	0.8
151.03935	1.9
151.11206	1.9
157.10063	3.3
159.08026	0.9
159.11662	4.8
160.05194	0.7
160.08926	0.8
161.09627	4.3
161.13229	1.6
163.11177	2.5
165.09077	8.6
165.12852	1.6
167.00154	0.8
171.11598	1.5
173.13333	0.8
174.99217	1.4
175.11176	3.8
175.14780	3.7
176.98871	1.7
177.05540	0.7
177.09229	1.9
177.12727	39.1
179.10686	0.9
181.04976	0.8
187.14851	1.3
189.07375	0.8
189.12724	4.0
189.16393	1.5
191.06833	0.8
193.05045	0.9
193.08643	0.9
193.12303	1.2
195.10150	1.4
197.11755	2.1
199.14786	2.4
204.15022	1.1
204.22131	0.8
205.15826	3.9
207.10161	1.3
217.12262	1.9
217.15871	8.3
223.09660	0.9
235.09685	3.8
235.13199	2.0
235.16891	50.2
236.17197	0.8
236.44089	0.7
253.06865	1.7
253.10721	1.7
253.14218	1.3
253.15224	0.8
253.17952	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	253.1431
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03935	2.6
55.01865	13.6
55.05505	9.3
57.03421	4.1
57.07052	1.4
65.03930	1.7
67.05496	44.6
69.03410	3.0
69.07057	11.6
71.04971	4.8
79.05077	1.5
79.05488	20.7
81.03397	4.4
81.07045	41.0
83.04967	7.8
83.08600	2.2
85.06549	6.1
91.05467	33.9
93.07041	13.6
95.04969	7.2
95.08591	9.6
97.06519	4.2
97.10138	1.7
98.98454	59.2
99.04427	1.9
105.07017	29.5
107.04919	1.7
107.08581	21.7
109.06480	4.9
109.10141	47.2
113.05978	3.2
116.99499	2.9
117.06995	1.3
119.08556	2.7
123.08046	1.3
123.11720	8.6
126.69491	1.0
127.07549	3.0
131.08537	2.0
133.06558	1.2
133.10115	52.5
140.01102	1.6
143.08557	1.7
151.11169	24.1
161.09566	2.3
169.12193	6.0
193.94861	0.9
215.12964	1.4
253.14317	100.0
254.14647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
51.29423	0.9
55.01859	1.7
55.05516	6.0
56.79015	0.9
57.03452	1.3
57.07062	3.4
67.05502	9.7
68.79191	1.0
69.03421	3.3
69.07073	7.4
69.47068	5.7
69.47478	1.7
71.04986	10.7
73.06586	0.9
73.24084	0.9
78.96282	0.9
79.05468	5.3
81.03422	1.2
81.07055	14.6
83.04955	1.9
83.08621	5.6
85.06541	4.1
86.40955	1.1
87.04535	0.9
91.05492	7.2
93.07029	11.0
95.04958	2.1
95.08598	18.0
97.06551	5.8
97.10136	2.5
98.21485	1.4
98.98459	100.0
99.04418	1.6
99.08077	5.5
100.98891	1.8
101.05968	1.0
105.07014	14.0
107.08587	13.8
109.06481	5.7
109.10165	11.9
111.08052	7.1
113.05989	1.1
113.09622	11.4
115.38560	0.9
116.99496	4.6
119.08577	11.7
121.06487	1.7
121.10141	6.5
123.08077	1.8
123.11697	6.6
125.09669	5.2
127.07538	2.7
131.08568	3.5
133.10118	14.4
135.11696	3.7
137.09560	1.4
137.13226	2.1
139.11142	1.6
140.01060	1.3
141.09050	1.9
142.07756	1.2
143.08447	1.2
145.10121	2.6
147.11661	8.8
149.13251	1.7
151.11165	8.6
157.10146	4.2
159.11690	9.0
161.09615	2.9
161.13269	4.1
163.11160	2.1
165.12807	2.1
167.03413	1.7
169.10258	1.2
171.11697	1.1
173.13242	2.1
174.99240	2.6
175.11174	8.1
175.14781	6.3
176.98869	1.3
177.12784	6.5
179.10605	1.9
183.13710	5.0
189.12801	1.0
189.16451	4.6
193.15852	3.0
197.11723	3.2
199.14818	2.3
207.13791	1.2
207.17450	2.4
217.15839	10.9
235.16911	42.4
236.17293	1.7
253.08649	2.2
253.14175	2.4
253.17978	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03922	2.6
55.01864	10.9
55.05498	8.1
56.09006	1.1
56.97921	1.1
57.03411	3.3
57.07056	2.0
67.05497	36.3
69.03409	3.5
69.07055	12.9
69.42753	3.8
69.43179	7.0
71.04967	3.8
71.08633	1.7
79.05488	15.9
81.03394	5.5
81.07043	34.2
83.04962	9.0
83.08608	3.5
85.06514	5.4
86.49892	1.4
89.40327	1.1
91.05471	35.3
93.07040	11.3
95.04959	7.0
95.08603	7.6
97.02869	1.5
97.06524	4.1
97.10123	1.9
98.20750	1.6
98.98454	83.1
99.04438	2.4
105.07018	28.1
107.05029	1.1
107.08584	22.2
109.06467	4.2
109.10142	44.3
113.06014	2.1
116.99474	3.9
119.08566	3.3
121.10118	1.7
123.08031	2.0
123.11741	6.5
123.12467	1.3
127.07470	2.4
131.08507	2.8
133.10112	49.8
140.01022	2.1
151.11157	27.1
161.09615	1.5
169.12233	3.5
176.98911	1.5
179.10628	1.7
197.11748	1.9
217.97447	1.3
253.14330	100.0
254.14761	1.7
266.80499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.118
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01880	1.0
55.84628	0.6
56.96554	1.3
57.03413	0.8
57.07061	2.6
60.04520	61.4
61.62257	0.6
66.58661	0.6
66.76126	0.7
67.05497	0.7
69.03411	1.6
69.07059	1.6
69.85865	3.0
69.86267	1.5
70.06585	1.9
71.04991	1.0
73.02915	0.7
74.00632	0.6
79.05480	1.8
81.07043	3.0
83.04964	0.6
83.08582	0.9
84.08145	1.3
86.09703	1.1
87.05576	3.1
91.05479	1.9
93.07043	1.3
94.26709	0.6
95.04951	1.1
95.08588	2.2
97.02869	1.2
97.06490	0.9
98.20807	0.8
98.98455	100.0
100.98892	1.6
103.05447	3.5
105.06986	2.0
107.04971	1.7
109.10145	1.4
110.07144	1.1
111.08099	0.8
116.98685	1.1
116.99481	3.8
120.08092	99.6
121.06477	1.0
121.08405	0.7
123.04382	1.9
123.11622	0.7
129.10240	0.9
131.04910	2.6
134.99670	1.1
136.07559	0.9
137.02301	1.1
137.91368	0.6
141.05447	1.9
144.08083	1.9
149.05983	2.2
157.33337	0.8
160.07582	0.8
161.63118	0.7
162.09081	2.8
166.08626	60.9
167.08966	1.1
174.99170	2.1
176.98911	1.7
179.03444	0.9
197.11725	2.5
206.08121	0.8
207.11261	13.9
219.04927	1.1
224.67355	0.7
229.00188	1.1
235.10794	3.1
253.06845	1.4
253.11819	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	253.1432
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03941	2.3
53.55391	1.5
55.01870	10.2
55.05501	8.0
57.03421	3.8
57.07055	3.0
57.86434	1.4
59.40992	1.6
67.05499	37.1
69.03419	4.2
69.07059	9.3
69.97346	8.0
71.04951	5.1
79.05486	13.1
81.03407	5.1
81.06597	2.6
81.07044	31.6
83.04967	4.7
83.08584	3.0
85.06532	5.1
91.05473	27.6
93.07037	10.3
95.04942	4.9
95.08571	5.8
97.06512	4.1
98.98456	100.0
101.46622	1.5
105.07018	25.5
107.08578	18.5
109.06488	5.9
109.10147	34.2
116.99491	3.0
119.08579	2.8
123.11674	8.3
127.07481	1.9
133.10109	43.0
151.11163	25.6
161.09612	2.3
169.10243	1.5
169.12144	2.4
176.98859	1.8
197.11771	3.4
253.14320	87.7
254.14709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
55.01857	0.3
55.05499	0.4
55.44680	0.3
56.05029	0.5
56.96561	5.3
57.03429	0.5
57.07059	1.1
60.04512	1.4
61.02913	0.5
67.05508	0.6
68.05025	0.4
69.03427	1.6
69.07061	0.6
70.06581	1.1
71.04957	0.5
71.72501	0.3
71.95260	0.6
72.08146	0.5
73.02902	0.4
79.05479	0.5
81.03413	0.8
81.07058	1.6
83.06084	1.1
84.08131	1.1
85.02427	0.4
85.02895	2.8
86.09687	0.7
87.04472	0.5
88.03972	0.6
91.05479	2.0
93.04514	0.4
93.07031	2.1
95.04952	0.6
95.06084	0.9
95.08585	0.9
97.02876	1.7
97.10188	0.4
97.96878	0.3
98.06071	0.7
98.97591	4.7
98.98459	39.9
100.98882	0.5
103.05453	6.3
104.03101	0.4
105.07032	0.7
106.05020	1.0
107.04909	1.6
109.02850	0.5
110.07156	5.0
110.97569	0.4
112.07621	0.7
113.03600	0.5
116.98615	6.1
116.99496	1.9
118.06546	0.3
119.00126	0.5
119.01913	0.4
119.04956	1.1
119.07291	0.3
120.08093	100.0
121.02848	0.4
121.05113	2.3
121.06487	0.4
121.08456	1.3
123.04407	0.8
127.03900	0.7
128.98613	0.7
129.10243	0.6
130.05005	0.4
130.08614	0.6
131.00151	0.5
134.99643	6.9
135.04408	0.7
136.07582	0.5
137.05885	0.6
141.05411	0.5
144.08054	0.5
145.05009	0.4
146.06013	0.8
146.99606	0.4
148.07510	0.5
149.01144	0.6
149.05916	0.4
150.05589	0.6
151.03902	0.4
153.00690	1.0
158.01160	0.5
158.99586	0.6
161.01189	0.6
162.05493	0.7
163.02728	0.7
163.12305	2.0
166.08691	0.8
169.03342	0.4
174.04366	0.4
174.99239	1.0
176.05173	0.4
176.99005	0.6
177.00674	0.6
177.71773	0.3
178.03886	1.2
180.02881	0.4
187.04405	1.3
187.54524	0.4
190.04936	0.5
190.13385	0.6
193.01749	0.5
195.11285	0.5
197.11716	1.4
201.00641	0.5
207.05440	1.0
207.07716	0.4
207.11293	0.5
208.09697	0.4
208.14520	2.1
220.76871	0.3
235.02806	0.7
235.07428	0.4
235.10683	0.5
237.02820	0.3
253.03764	0.9
253.09160	0.5
253.11790	3.2
254.06891	0.3
254.14926	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	252.109
Annotation	Deoxyadenosine
Peak:m/z	Relative Intensity
55.01862	0.5
55.05501	0.5
56.96560	3.3
57.03425	0.8
57.07053	0.6
60.04512	0.8
61.02911	0.4
61.76081	0.3
67.05506	0.7
69.03413	1.9
70.06575	1.4
70.91567	0.5
70.91885	0.7
71.04970	1.1
72.08144	1.4
73.02914	2.0
79.05473	0.8
81.03394	1.1
84.04485	1.9
84.08130	3.5
85.02897	2.0
85.06500	0.4
86.09705	1.5
91.05492	0.6
93.26880	0.4
94.04094	0.7
94.06548	0.6
95.04943	0.6
95.06093	0.7
97.02881	1.9
98.06026	0.5
98.97580	1.1
98.98461	26.7
99.04428	1.5
103.05491	0.6
105.07018	4.0
109.02886	0.9
110.07144	1.3
110.97546	0.6
115.05442	1.0
116.98597	1.7
116.99467	1.1
117.05484	2.7
119.03526	1.2
120.08076	0.8
121.05095	0.8
123.04410	0.7
123.05545	1.0
127.03951	0.7
128.98584	1.0
129.10239	1.1
131.04919	1.1
133.06488	4.0
134.01137	0.5
134.99658	1.1
136.06174	100.0
137.04504	0.7
137.06602	0.6
138.06573	0.4
139.03799	0.5
140.07083	0.5
141.05458	0.7
143.01819	0.4
146.99635	1.5
148.07520	0.5
160.07605	1.4
161.05957	5.4
167.06909	0.4
173.02858	0.5
177.00780	0.5
177.05331	0.4
178.07211	1.0
179.11774	2.0
188.07057	0.6
189.00684	0.6
189.04137	0.8
191.09410	1.7
193.08592	5.9
199.99947	0.7
201.00671	0.7
205.98753	0.6
210.11192	0.6
215.02238	0.7
216.08826	1.0
219.01839	0.5
219.09023	0.6
229.00168	0.9
234.07620	0.7
234.09839	1.2
237.02850	1.0
237.09975	0.7
247.01439	0.6
252.07031	1.1
252.12648	6.3
252.15459	0.8
252.23245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0817
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
51.33809	0.7
55.01864	1.1
55.05509	1.3
56.96564	0.9
57.07063	3.1
60.04520	1.2
64.29877	0.8
67.05506	1.6
69.07060	1.7
70.06611	1.0
71.04996	1.2
71.51956	1.3
74.02428	5.7
79.05489	2.5
80.04996	1.2
81.07059	2.2
84.04528	1.0
84.08144	1.6
89.55020	0.9
91.05499	1.9
93.07030	1.5
95.04961	1.7
95.08589	1.9
96.04469	1.1
97.02872	1.0
98.98458	100.0
100.98874	1.6
103.97399	0.9
105.07060	1.0
106.06537	4.8
107.04975	1.5
108.04498	1.1
109.06496	0.9
109.10130	0.8
110.06036	3.9
111.04444	0.9
116.04989	1.5
116.99468	5.2
117.05784	1.1
118.06547	3.9
119.04930	0.9
119.06078	1.9
119.08508	0.8
120.04465	3.2
120.08097	1.8
121.06432	0.8
123.04422	1.4
123.08080	0.8
124.07556	1.3
126.05503	2.8
131.07297	0.7
132.04451	1.0
133.02728	0.9
133.07605	2.8
134.06004	30.5
136.03952	3.0
139.94450	0.8
141.05515	1.5
144.04414	2.3
146.05995	44.8
147.04395	1.4
148.03902	2.6
149.04724	1.4
152.07079	2.2
158.06001	1.4
161.04779	1.7
161.07091	7.8
162.05489	58.3
163.06197	1.7
163.08691	1.3
164.03409	14.2
166.05005	0.9
171.05516	1.4
172.04015	1.0
173.07094	5.0
174.05495	1.7
174.07904	1.1
174.99211	1.2
175.08659	1.9
176.98975	1.7
179.03427	1.1
179.05385	1.2
179.08185	1.3
180.06575	1.8
186.73621	0.8
189.06615	7.1
190.04977	10.8
190.07417	1.6
191.08185	2.2
197.11758	3.0
203.05772	1.7
207.07657	20.2
207.09557	1.5
208.06070	2.8
218.04515	2.4
219.07698	3.5
220.08362	6.5
235.07159	4.7
236.05528	3.1
236.07965	2.6
248.05617	0.8
253.08263	15.3
261.92255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.02387	0.6
55.05506	11.0
57.03419	1.4
57.07076	6.1
59.04980	0.9
65.03938	1.4
67.05497	54.9
69.07063	10.6
69.82404	4.0
71.04974	1.5
79.05489	20.4
81.03403	1.3
81.07046	49.8
83.04974	1.7
83.08612	12.4
83.09071	1.4
85.06545	1.6
91.05466	12.4
93.07030	23.4
95.04969	1.8
95.08595	45.8
97.06517	9.4
97.10152	3.7
98.98454	100.0
99.08088	1.3
105.07019	8.5
107.08572	16.1
109.06491	1.5
109.10143	19.1
111.08070	9.8
113.09641	1.3
116.99499	3.1
117.07018	2.1
119.08555	6.5
121.06483	1.0
121.10127	21.7
123.08055	2.8
123.11684	6.5
125.09613	2.4
131.08583	4.2
133.10110	14.5
135.08032	1.1
135.11681	16.3
137.09607	3.2
137.13243	1.7
139.03912	0.9
139.11176	1.9
140.01097	0.9
145.10112	4.1
147.11702	3.4
149.09607	1.6
149.13210	4.7
151.11172	3.8
159.11717	3.2
165.12643	1.1
167.10588	0.7
173.13281	2.6
174.99251	2.6
177.09050	0.8
187.14848	1.6
189.16418	0.8
191.17883	1.1
193.83818	0.8
195.10168	4.9
195.13867	1.3
215.14487	0.8
215.17964	10.6
233.15387	1.4
233.18964	4.9
251.16299	6.9
251.20056	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	252.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25408	0.5
51.48591	0.4
57.51797	0.5
60.80991	0.4
68.99795	0.6
70.02924	0.7
70.30337	0.4
70.68486	0.9
70.68858	0.8
79.05489	0.4
84.08118	0.9
86.09703	0.6
87.00811	2.9
91.05477	1.3
93.07027	1.8
98.98454	8.2
103.05452	6.7
103.26486	0.5
105.07014	1.5
107.04998	0.4
110.06075	0.4
118.06524	9.3
120.08086	100.0
121.08427	0.7
128.04941	1.3
131.04919	0.8
136.06163	5.3
146.05986	18.6
164.07104	0.9
166.08624	2.4
188.07040	17.1
191.10652	0.4
192.06525	1.1
197.47928	0.4
206.08098	53.8
207.08479	1.0
231.62100	0.4
234.07681	0.9
237.90724	0.5
252.08629	0.9
252.14320	2.6
262.84290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
53.03933	0.7
55.05498	2.8
56.96567	0.7
57.07059	0.6
59.04998	0.5
65.03918	0.8
67.05499	9.8
69.03423	1.7
69.07055	2.1
70.69974	0.4
71.04995	2.9
71.08614	0.6
71.52385	0.5
71.52760	0.5
77.01630	0.6
79.05495	3.1
81.07046	7.6
83.04957	0.7
83.08592	2.5
85.06537	1.3
91.05480	3.6
93.07026	9.7
93.07564	0.9
95.04951	3.2
95.08596	16.7
97.06525	1.9
98.98457	100.0
99.04449	5.6
103.05440	0.6
105.07023	6.1
107.04973	0.7
107.08601	3.8
109.06517	2.2
109.10143	2.9
109.73727	0.5
111.08052	4.8
116.99516	4.7
117.07030	0.7
119.08574	3.3
121.06516	1.5
121.10143	3.4
123.08054	68.5
123.11627	1.0
124.08399	0.5
125.09639	0.6
129.06920	0.7
129.09134	3.3
131.08549	2.2
133.10110	2.8
135.08017	1.6
135.11697	2.0
137.09595	0.7
140.01073	1.6
141.09087	2.0
142.07791	1.4
143.08534	0.7
145.10110	3.0
145.89915	0.5
147.08032	0.6
147.11671	2.0
149.09625	0.8
151.11188	1.5
153.09152	0.5
157.10141	3.6
159.08086	0.6
159.11684	1.3
163.03888	0.6
163.11174	1.4
168.30197	0.5
173.09602	1.4
173.13304	2.3
174.99193	3.6
175.11177	4.4
177.08981	0.5
182.10869	1.1
187.11212	0.9
187.14795	1.8
191.10696	0.5
191.14308	1.2
193.12274	1.1
197.13234	2.3
205.15903	0.9
209.07954	0.7
215.14317	6.6
215.17941	1.1
233.15367	4.5
233.18929	0.9
251.08832	0.6
251.10844	0.7
251.16296	5.4
251.20018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
55.05494	4.0
56.84562	1.0
57.03433	2.2
57.07061	2.4
60.30069	0.9
65.03922	1.2
67.01865	1.8
67.05506	7.1
69.03429	5.5
69.07067	6.1
69.39754	1.7
69.40165	7.9
71.04977	9.1
76.49241	0.9
79.05485	9.7
79.93610	1.1
81.07050	21.9
83.04971	2.0
83.08636	1.2
84.04493	1.1
85.06554	2.2
91.05476	10.4
91.21904	1.2
93.07034	15.1
95.04952	3.7
95.08605	13.1
97.06513	2.9
98.98454	100.0
99.04482	1.0
102.10020	1.0
105.07023	21.1
107.04955	1.8
107.08585	14.7
109.06494	17.8
109.10143	6.6
111.08073	1.9
115.05454	1.1
116.99516	2.8
117.07017	4.8
119.08572	11.3
121.06519	5.6
121.10132	6.5
121.87522	1.1
123.08047	6.0
123.11677	1.2
125.05943	2.6
125.09598	2.3
127.07530	8.6
128.06195	1.1
129.07013	2.8
131.08553	26.5
133.06493	2.5
133.10158	6.8
135.08054	5.2
135.11697	2.9
137.09645	2.3
139.07518	1.6
141.07004	1.3
142.07759	7.9
143.08525	3.8
144.09337	1.4
145.06453	1.4
145.10115	14.4
147.07994	1.6
147.11653	9.6
149.09669	2.3
149.13187	1.5
151.07544	2.0
153.06972	1.2
155.08583	4.0
156.09302	2.1
157.10110	29.3
159.08069	2.8
159.11623	5.6
161.09567	1.8
163.07533	3.3
163.11179	3.1
163.14778	1.6
165.12727	1.8
167.03436	1.8
167.08548	2.6
169.10153	1.6
171.11690	6.5
173.09621	4.7
173.13272	10.7
174.99127	3.0
175.11150	11.8
177.09135	1.7
177.12720	1.3
179.03444	2.7
179.07066	2.0
181.12129	1.1
182.10863	6.4
185.13312	1.1
187.14790	13.0
189.12711	1.6
191.07037	4.2
191.14279	6.3
193.12238	1.3
197.04436	2.2
197.13223	19.1
203.06998	2.1
203.14297	1.8
205.08585	1.7
205.15999	1.3
207.06491	2.2
209.04482	1.2
215.14291	42.9
233.08138	1.2
233.11752	13.1
233.15317	15.1
251.09079	8.1
251.12762	5.2
251.16359	15.4
251.20175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03926	0.6
53.59475	0.5
54.23290	0.5
55.01854	0.6
55.05501	1.6
57.07056	1.2
59.04993	0.7
65.03908	0.6
66.46078	0.5
67.05502	3.0
69.03418	1.3
69.07052	2.5
71.04984	2.5
71.13769	1.1
79.05484	3.9
81.07042	6.1
83.04950	1.4
83.08613	1.0
85.06531	1.3
91.05470	4.4
93.07031	5.9
95.04950	2.1
95.08603	5.6
97.06512	1.8
98.98454	100.0
99.04478	1.2
105.07022	7.3
107.04958	2.3
107.08592	8.8
109.06516	3.3
109.10155	3.5
111.08063	2.0
116.99499	3.7
117.06992	1.8
119.08561	6.0
121.06498	3.9
121.10132	3.5
123.08057	6.9
123.11703	1.6
125.05988	1.0
125.09596	0.8
130.07678	0.7
131.08548	3.0
133.10094	3.9
135.08025	5.0
135.11691	1.8
137.09605	0.7
139.07564	0.5
140.01088	1.5
143.08560	1.1
145.10115	9.8
147.08035	2.3
147.11713	3.0
149.09602	2.0
149.13264	1.2
151.07582	0.8
151.11028	0.6
153.05432	0.5
153.07065	0.6
153.09088	1.3
155.08492	1.0
157.10138	0.8
157.24127	0.5
159.08025	1.0
159.11658	2.0
161.09627	1.4
163.07542	1.2
163.11215	2.6
163.14821	1.5
165.09102	0.8
167.10616	0.8
170.49068	0.5
173.09607	1.6
173.13243	2.2
174.99200	3.9
175.11211	2.2
175.14838	0.8
177.09143	0.9
177.12775	0.5
181.12318	0.5
187.14835	4.0
189.12714	0.8
189.16350	0.9
191.07050	0.7
191.10590	2.7
191.14262	4.7
193.12230	1.7
196.08420	0.5
197.13226	1.0
205.08667	0.7
205.15858	7.0
208.08832	0.8
209.07898	0.6
215.14258	4.8
233.11674	1.5
233.15338	19.0
236.08322	0.6
251.10890	1.0
251.16319	10.1
251.20204	0.7
263.06158	0.5
269.10547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03937	1.6
55.05505	7.0
57.03434	1.7
57.07042	2.1
59.04979	2.1
65.90447	1.1
67.05491	9.1
69.03414	3.7
69.07065	7.1
69.07401	1.4
69.74265	4.4
69.74676	2.2
71.04992	7.4
79.05485	7.4
81.07044	12.4
83.04952	1.5
83.08611	1.6
85.06551	5.4
91.05495	7.3
93.07027	11.9
95.04950	8.4
95.08602	16.3
97.02879	1.3
97.06518	3.7
97.10126	1.4
98.20949	1.6
98.98458	100.0
99.04460	3.3
99.08079	3.2
105.07024	19.3
107.04962	2.4
107.08582	21.5
107.14892	1.1
109.06503	19.0
109.10149	10.1
110.40748	1.1
111.08053	5.5
116.99523	2.9
117.06980	3.5
119.08560	14.1
121.06515	4.1
121.10139	9.0
123.08054	64.5
123.11710	2.8
124.08384	1.1
125.05928	1.4
127.07530	3.9
129.09053	2.3
131.08548	12.4
133.06480	1.8
133.10106	16.3
135.08060	6.7
135.11658	3.9
137.09622	1.8
139.03880	1.4
139.07408	1.0
139.81783	1.2
141.09067	1.7
142.07764	1.9
143.08498	1.7
145.06488	1.6
145.10080	12.0
147.07968	1.4
147.11667	17.6
147.29071	1.2
149.09592	11.0
149.13249	1.6
151.11206	2.1
156.09355	1.5
157.10124	6.2
158.10826	3.2
159.08012	4.1
159.11720	2.3
161.09601	1.6
163.07486	1.6
163.11172	4.4
163.14783	2.2
169.10083	1.4
171.11708	2.7
173.08231	1.8
173.09587	9.0
173.13258	21.5
174.99142	2.1
175.11191	12.0
177.09065	5.6
181.04921	1.4
182.10945	1.8
187.11224	1.3
187.14806	15.1
189.16310	1.7
191.10663	3.9
191.14290	32.1
193.12216	3.3
197.13234	7.1
205.15871	4.7
206.41359	1.0
209.04381	2.0
209.07982	1.2
215.14261	14.9
215.17828	1.2
233.08026	2.0
233.15341	38.5
251.09074	8.3
251.16385	33.4
269.12299	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	251.164
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
55.05507	2.1
57.03428	0.7
57.07083	0.5
67.05497	6.7
69.03417	1.6
69.07059	1.2
71.04977	2.9
71.25871	0.6
71.26207	0.7
77.01612	0.6
79.05497	2.1
80.29330	0.4
81.03426	1.1
81.07040	2.7
83.08603	1.0
85.06503	0.5
91.05466	1.9
93.07030	9.1
95.04968	4.2
95.08598	17.2
97.06513	1.1
98.98458	100.0
99.04443	6.3
103.85788	0.5
105.07026	5.3
107.08578	2.8
109.06514	2.0
109.10150	1.3
111.08086	5.5
116.99498	2.4
117.06995	0.8
119.08575	1.8
121.06503	1.4
121.10133	0.9
123.08056	99.1
124.08402	0.9
129.09126	3.7
131.08539	1.3
133.10112	1.9
135.08087	0.6
135.11696	0.6
140.01106	1.0
141.09050	2.6
142.07735	1.1
145.06534	0.5
145.10124	3.0
147.11653	2.0
151.11119	1.2
155.08569	0.6
157.10129	4.1
159.07988	0.6
163.11153	1.2
173.09612	1.3
173.13268	1.8
174.99225	3.0
175.11182	6.0
182.10918	1.0
187.11104	0.6
187.14845	1.5
191.14291	0.9
193.12204	0.8
197.13246	3.5
205.15836	0.8
215.14293	7.3
233.15344	4.4
251.16394	3.4
263.16214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
52.06870	0.3
53.03918	0.5
55.01853	0.6
55.05505	0.3
67.05486	1.1
68.99765	1.2
69.07052	0.4
70.81203	0.4
70.81549	0.5
79.05480	1.3
81.03419	1.4
81.07059	2.0
83.08559	0.3
91.05479	1.7
93.07035	2.3
95.04945	1.1
95.08585	0.5
97.06516	0.4
98.98453	20.4
103.05448	1.4
105.06987	0.8
107.04906	1.0
107.08549	0.8
109.02872	0.5
109.06493	0.5
109.10139	0.4
116.99496	0.7
119.08556	0.4
121.05791	0.3
121.06504	3.4
121.10123	0.4
123.08024	0.4
125.05989	0.4
131.04900	0.5
131.08583	0.4
133.10121	0.3
135.04420	0.8
135.08025	0.3
135.11687	0.5
136.74033	0.3
145.10089	0.4
147.36879	0.3
149.05959	3.1
149.09598	0.3
149.13226	0.4
153.05432	1.4
155.90662	0.3
159.11667	0.4
162.03128	0.8
163.11160	0.3
174.99249	0.7
177.05446	34.4
178.05812	0.6
179.73831	0.3
195.06502	100.0
196.06776	1.6
205.15875	0.4
214.53795	0.3
233.15356	0.9
251.12772	4.5
251.16190	1.3
251.20164	0.4
260.25635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.27116	0.2
53.03941	0.5
54.92315	0.3
55.01858	0.6
55.05508	1.7
55.77285	0.3
57.03429	0.6
57.47925	0.2
59.04988	0.4
65.03938	0.8
67.01273	0.2
67.01852	0.2
67.05492	3.4
68.99810	0.2
69.03420	1.0
69.07069	1.6
69.40632	2.0
71.04984	0.6
74.38515	0.2
79.05481	3.1
81.03422	0.3
81.07045	3.9
81.56480	0.2
83.04962	0.8
83.08604	0.5
85.02898	1.1
85.06519	0.5
91.05459	3.6
92.39605	0.3
93.03398	0.8
93.07035	2.7
95.04959	1.9
95.08604	2.0
97.06513	2.1
98.98456	38.1
99.04424	0.4
99.08076	1.0
103.05436	1.6
105.07025	6.3
107.04951	1.4
107.08575	4.4
109.06506	2.5
109.10157	1.2
111.04436	0.4
111.08062	0.4
115.05437	1.2
116.06187	0.3
116.99504	1.6
117.07002	2.0
118.64134	0.2
119.04926	1.0
119.08558	2.0
120.05695	0.3
121.06484	1.6
121.10133	1.6
123.04463	0.6
123.08059	1.5
125.05996	2.5
125.06806	0.4
125.09593	0.5
127.07535	0.7
128.06187	0.7
129.06995	1.9
130.07771	0.9
131.04924	1.4
131.08539	2.2
131.36241	0.2
132.05609	0.3
133.06471	3.6
133.10139	1.1
135.04393	1.1
135.08047	3.4
135.11652	0.4
137.05972	1.9
137.09550	0.5
137.67122	0.2
139.07541	0.3
140.01086	0.4
141.07001	0.8
142.07768	1.3
143.08476	0.6
144.09328	0.3
145.06485	1.1
145.10127	3.5
147.04379	1.6
147.08034	0.8
147.11665	1.0
148.05206	0.6
149.05925	1.6
149.09612	1.5
149.13307	0.3
150.06754	0.4
151.03851	0.6
151.07541	1.5
151.11159	0.5
153.05441	2.9
153.06929	0.7
155.08540	2.9
156.09264	0.5
157.06500	0.8
157.10117	1.1
158.07251	1.2
159.04372	1.4
159.08028	1.5
159.11676	0.8
160.05182	0.3
160.08716	0.4
161.05978	2.2
161.09596	0.7
161.13193	0.3
162.06708	0.7
163.07526	20.3
163.11189	1.5
165.05409	0.6
165.09102	0.4
167.07056	0.6
167.10672	0.3
169.06502	0.3
172.08817	1.5
173.05968	0.7
173.09598	2.9
173.13249	0.8
174.99245	1.4
175.03877	0.8
175.07497	2.2
175.11124	0.7
176.04651	2.6
176.08237	1.2
177.05406	1.8
177.09100	3.5
177.12727	1.1
177.16386	0.5
179.07011	6.7
183.08044	1.6
184.08821	0.5
185.05933	0.7
186.06677	0.7
187.07501	0.8
187.11122	1.3
187.14838	1.0
188.08287	0.4
189.05412	1.2
189.09029	0.7
190.06256	1.5
190.09863	1.1
191.07004	14.3
191.10631	6.4
191.14230	0.5
193.08528	0.3
200.08282	1.7
201.09065	2.3
202.09970	0.4
203.07011	9.6
204.07716	1.1
205.08624	2.3
205.12212	6.3
205.15842	1.3
215.10655	5.8
215.14255	0.5
216.11104	0.3
218.09357	5.6
219.09821	0.5
223.16872	0.3
233.11694	100.0
234.11983	1.8
242.63965	0.3
251.12755	17.7
251.16351	3.2
251.20111	0.6
252.12927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	Nigrolineabenzopyran A
Peak:m/z	Relative Intensity
50.49873	0.6
53.00317	0.8
53.03957	0.7
55.01864	1.3
55.05505	1.9
57.03442	0.8
57.07071	1.4
59.04995	6.6
65.03934	5.2
67.05493	2.4
68.99809	1.8
69.03421	1.9
69.07062	1.7
71.04993	2.0
71.52834	0.7
77.01609	0.7
79.05489	3.7
81.03407	1.8
81.07047	3.3
83.04974	1.4
84.04489	0.6
85.06519	1.2
91.05466	4.3
93.03396	7.4
93.07027	4.1
95.04961	2.7
95.08591	2.7
97.06533	1.9
98.98456	100.0
99.04446	1.8
103.05451	1.3
105.07021	5.4
107.04922	1.8
107.08591	6.0
109.06498	3.2
109.10141	1.8
111.04432	2.1
111.08083	1.3
113.05949	0.7
115.05431	1.2
116.99470	4.7
117.07016	2.9
119.08562	3.6
121.02858	17.1
121.06493	2.3
121.10152	3.2
123.04427	1.6
123.08057	2.2
123.11705	0.6
125.05975	0.7
125.09622	1.0
131.04903	0.8
131.08574	3.4
133.06471	1.7
133.10120	2.7
135.04402	0.9
135.08034	2.5
135.11711	0.9
137.05977	1.6
137.09583	1.4
140.01059	1.4
141.06956	1.0
143.08473	0.6
145.06491	2.6
145.10106	4.3
147.08032	0.9
147.11644	3.4
149.02324	30.4
149.05942	2.2
149.09601	1.8
149.13234	1.0
153.01817	4.0
157.10120	0.8
159.08035	2.0
159.11685	3.1
161.05995	1.9
161.09599	0.7
163.03871	3.2
163.07501	2.6
163.11127	1.6
165.01855	1.7
165.09164	1.2
167.03403	10.1
167.07031	1.1
167.10608	0.7
171.11555	0.7
173.05951	1.7
173.09628	1.8
173.13245	2.4
174.99165	3.1
175.03914	1.4
175.11179	2.8
177.01814	79.7
177.05266	4.7
177.09044	1.3
177.12729	2.0
179.07112	0.7
179.10706	0.8
181.04938	2.0
181.10561	0.7
183.02852	0.8
187.11124	0.8
187.14813	1.9
189.05386	0.7
190.06093	0.6
191.03371	5.5
191.04982	0.7
191.05513	0.6
191.07002	4.0
191.10567	1.2
191.14296	1.7
192.04138	3.7
193.12250	0.9
195.02869	83.1
197.13237	0.7
205.04951	13.1
205.08549	4.2
205.12238	1.3
205.15857	1.1
206.05412	0.6
209.08113	0.7
215.07004	1.7
215.10745	0.9
215.14281	2.5
218.04431	0.8
219.06445	1.0
223.05792	0.8
223.07707	0.8
233.08057	30.8
233.11760	2.4
233.15308	5.8
234.08389	0.9
251.05484	28.3
251.09126	43.2
251.16360	9.3
251.18803	0.8
251.20113	0.9
252.05823	1.0
252.09464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49873	0.6
53.00317	0.8
53.03957	0.7
55.01864	1.3
55.05505	1.9
57.03442	0.8
57.07071	1.4
59.04995	6.6
65.03934	5.2
67.05493	2.4
68.99809	1.8
69.03421	1.9
69.07062	1.7
71.04993	2.0
71.52834	0.7
77.01609	0.7
79.05489	3.7
81.03407	1.8
81.07047	3.3
83.04974	1.4
84.04489	0.6
85.06519	1.2
91.05466	4.3
93.03396	7.4
93.07027	4.1
95.04961	2.7
95.08591	2.7
97.06533	1.9
98.98456	100.0
99.04446	1.8
103.05451	1.3
105.07021	5.4
107.04922	1.8
107.08591	6.0
109.06498	3.2
109.10141	1.8
111.04432	2.1
111.08083	1.3
113.05949	0.7
115.05431	1.2
116.99470	4.7
117.07016	2.9
119.08562	3.6
121.02858	17.1
121.06493	2.3
121.10152	3.2
123.04427	1.6
123.08057	2.2
123.11705	0.6
125.05975	0.7
125.09622	1.0
131.04903	0.8
131.08574	3.4
133.06471	1.7
133.10120	2.7
135.04402	0.9
135.08034	2.5
135.11711	0.9
137.05977	1.6
137.09583	1.4
140.01059	1.4
141.06956	1.0
143.08473	0.6
145.06491	2.6
145.10106	4.3
147.08032	0.9
147.11644	3.4
149.02324	30.4
149.05942	2.2
149.09601	1.8
149.13234	1.0
153.01817	4.0
157.10120	0.8
159.08035	2.0
159.11685	3.1
161.05995	1.9
161.09599	0.7
163.03871	3.2
163.07501	2.6
163.11127	1.6
165.01855	1.7
165.09164	1.2
167.03403	10.1
167.07031	1.1
167.10608	0.7
171.11555	0.7
173.05951	1.7
173.09628	1.8
173.13245	2.4
174.99165	3.1
175.03914	1.4
175.11179	2.8
177.01814	79.7
177.05266	4.7
177.09044	1.3
177.12729	2.0
179.07112	0.7
179.10706	0.8
181.04938	2.0
181.10561	0.7
183.02852	0.8
187.11124	0.8
187.14813	1.9
189.05386	0.7
190.06093	0.6
191.03371	5.5
191.04982	0.7
191.05513	0.6
191.07002	4.0
191.10567	1.2
191.14296	1.7
192.04138	3.7
193.12250	0.9
195.02869	83.1
197.13237	0.7
205.04951	13.1
205.08549	4.2
205.12238	1.3
205.15857	1.1
206.05412	0.6
209.08113	0.7
215.07004	1.7
215.10745	0.9
215.14281	2.5
218.04431	0.8
219.06445	1.0
223.05792	0.8
223.07707	0.8
233.08057	30.8
233.11760	2.4
233.15308	5.8
234.08389	0.9
251.05484	28.3
251.09126	43.2
251.16360	9.3
251.18803	0.8
251.20113	0.9
252.05823	1.0
252.09464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2211
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.87619	1.7
53.03711	2.5
53.03943	24.0
55.01855	7.0
55.05507	38.6
57.03419	2.9
57.07066	11.0
65.03922	3.4
67.05501	58.3
69.03411	3.2
69.07062	47.2
69.26157	19.1
69.64989	1.7
71.08614	2.5
73.06552	2.3
79.05487	27.3
81.03408	76.6
81.07048	59.6
83.04977	22.3
83.08608	10.7
85.06529	2.5
85.10175	4.3
89.10637	1.8
91.05459	21.8
93.07037	28.7
95.04376	3.1
95.04955	42.5
95.08589	27.2
97.06498	4.3
97.10164	10.4
99.08089	3.2
105.07020	24.4
107.04897	2.0
107.08585	20.1
109.06492	11.3
109.10152	19.2
111.08094	2.7
113.09621	2.4
117.01911	1.7
119.08570	16.6
121.06490	2.2
121.10121	13.5
123.07999	2.2
123.11697	8.7
125.09618	3.0
131.08578	1.8
133.10088	18.7
134.69258	1.8
135.08002	2.0
135.11693	9.4
137.09607	2.1
137.13225	2.8
141.50844	1.6
143.08415	1.9
145.10092	2.7
147.07986	3.1
147.11690	10.2
149.13242	4.4
151.11172	41.9
161.09610	4.3
161.13206	8.2
162.10365	1.7
163.11186	2.1
163.14758	2.3
165.12743	13.5
171.11684	2.4
175.11147	2.2
175.14838	4.6
177.16386	3.8
179.14272	8.2
189.12804	2.9
189.16310	3.2
193.12215	4.0
196.82576	1.7
200.88824	1.7
203.14296	2.0
213.50972	1.9
231.13702	2.7
231.17348	4.3
231.21063	8.8
249.11186	3.4
249.14799	8.5
249.18452	22.3
249.22101	100.0
260.45428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.02361	0.8
53.03941	4.5
55.01849	2.8
55.05272	1.1
55.05508	13.1
57.03419	1.0
65.03922	2.3
67.05496	50.7
67.37156	0.8
69.03392	1.2
69.07050	11.4
70.82439	0.8
71.04961	2.0
71.52551	1.5
75.91832	0.8
77.03888	1.5
79.05484	74.8
81.07048	39.4
81.07529	2.0
83.04972	2.1
83.08612	11.7
85.06522	2.0
91.05471	38.6
93.07032	89.4
95.04954	8.6
95.08593	25.9
97.06517	5.1
97.10140	2.4
99.08072	3.5
105.04522	1.2
105.07018	18.5
107.04936	2.3
107.08580	43.5
109.06504	4.5
109.10138	9.3
111.08075	5.2
113.09634	1.3
117.07018	5.0
119.08574	18.4
121.06511	1.5
121.10130	97.8
122.10506	0.9
123.04412	1.3
123.08032	5.8
123.11700	2.1
125.09611	1.7
128.06230	1.6
129.07002	2.8
131.08559	13.7
133.06468	1.4
133.10110	19.5
135.08084	5.3
135.11682	28.9
137.09599	15.7
139.07492	3.0
139.11195	1.0
143.08563	2.9
145.10115	7.0
147.08009	1.3
147.11667	11.4
149.09593	10.0
149.13249	2.2
151.11127	6.6
153.09100	4.0
154.58794	0.9
155.65022	1.0
157.10129	2.8
159.11664	1.6
161.05966	1.0
161.09622	1.4
161.13251	1.6
163.11128	2.1
163.45111	0.9
165.09094	4.0
165.12714	1.6
167.10608	4.3
171.11690	4.7
173.09648	1.2
173.13176	1.0
175.07535	1.6
175.11174	2.0
175.14835	1.4
181.12259	1.7
185.13246	2.1
187.14732	1.5
189.12790	1.8
189.16302	1.8
203.10612	1.0
203.14307	2.9
203.17924	3.9
207.13750	2.8
213.16353	8.7
221.15355	1.8
221.18903	1.8
231.10196	1.5
231.13777	3.1
231.17389	13.1
249.07446	2.5
249.11241	5.5
249.14775	14.1
249.18475	100.0
250.18620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1644
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05496	0.3
56.93807	0.2
56.96560	0.3
60.85054	0.2
67.05481	0.3
68.15872	0.2
69.03405	0.4
69.07056	0.2
70.22857	0.7
79.05497	0.5
81.03405	0.6
81.07015	0.6
82.07374	0.5
91.05471	0.5
93.07008	0.4
95.04983	0.5
98.97598	0.4
103.05482	0.2
105.07024	0.6
107.04919	0.3
107.08602	0.2
108.04465	0.2
109.06474	0.4
109.10098	0.2
115.05416	0.3
117.05729	0.2
117.07033	0.4
118.05714	0.4
118.06538	5.9
119.08568	0.7
120.08065	0.3
121.06540	0.2
128.06235	0.3
129.07005	0.3
130.06526	0.3
131.07269	0.2
131.08575	0.5
132.08064	2.5
133.08789	0.6
133.10103	0.3
134.09607	0.5
134.89868	0.2
144.08040	0.6
145.08897	0.2
145.10107	0.4
146.09573	2.0
147.11536	0.2
149.09767	0.2
157.06621	0.3
159.11620	0.3
160.08461	0.3
160.11215	0.9
161.05919	0.3
163.03943	0.3
164.04041	0.2
173.09557	0.3
174.12781	0.9
175.07523	0.2
176.14330	13.3
177.05461	0.6
188.15140	0.3
189.05496	0.4
190.08612	11.9
191.09058	0.3
197.68527	0.2
201.29213	0.2
202.09445	0.3
202.15822	2.5
203.10652	0.3
203.16669	0.9
204.10175	6.1
205.10953	1.6
206.05438	0.2
206.11722	0.3
217.05043	0.3
218.11723	5.0
218.13799	0.3
219.12335	0.2
230.08704	0.5
230.15990	0.3
232.13258	0.3
235.15593	0.3
248.16441	100.0
249.07550	0.9
249.11227	1.4
249.16922	1.6
250.05963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04617	6.3
62.85634	5.5
69.82744	35.6
70.77232	5.8
94.93010	100.0
98.97596	10.8
105.99430	5.8
152.22896	6.9
206.88487	11.4
248.89658	6.9
249.03679	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	249.0754
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
50.83236	0.9
53.03930	1.0
55.01860	4.4
56.05033	1.1
56.96542	2.8
57.03417	1.1
57.07058	1.1
65.03925	2.5
67.05473	1.4
68.99777	1.5
69.03411	4.4
70.06595	0.9
71.52133	1.1
72.08107	1.7
79.01846	1.5
79.05448	2.7
81.03400	2.2
81.07026	1.6
83.04960	1.2
84.04478	1.2
85.02885	3.9
86.09681	3.1
87.00819	2.0
91.05463	6.3
91.92846	0.9
93.07018	1.2
95.04946	1.3
96.02085	7.2
97.02873	6.6
98.97545	2.5
99.04415	1.6
103.05440	6.4
105.07020	7.3
107.01265	2.4
107.04919	2.3
107.08559	1.6
109.02847	3.0
109.10087	1.0
110.03600	1.7
110.07149	1.8
111.04424	50.0
115.05437	17.4
116.06239	1.0
116.98609	2.1
117.06927	2.2
119.04914	4.0
119.08537	2.3
120.08077	2.1
121.02882	1.1
121.06425	0.9
121.10088	1.0
123.04345	1.2
125.02301	2.5
125.05986	1.1
127.03880	2.0
129.06985	1.2
131.04919	8.8
131.08546	1.3
132.05663	1.4
133.06467	5.2
134.99629	1.5
135.04382	1.4
135.08035	1.0
136.07487	1.9
137.05939	3.5
139.03879	54.8
140.04697	4.9
143.04919	10.0
145.06439	1.7
145.10095	2.2
146.05969	1.2
147.04381	11.3
147.08006	1.4
147.11690	0.8
149.02335	0.8
149.05960	2.1
149.07114	0.9
151.03806	1.1
153.05428	2.2
157.10052	1.3
159.04375	10.6
160.05115	3.0
160.70183	0.9
161.05954	15.2
161.09589	2.7
162.03055	2.7
163.03857	2.1
164.04608	1.8
165.05481	1.7
167.03391	21.7
169.30830	0.9
171.04382	17.8
175.03908	2.5
175.07574	6.1
177.05444	13.2
177.08899	1.1
178.06216	1.9
179.03410	1.9
179.06979	2.4
188.04666	3.4
188.07030	1.6
189.05441	15.0
189.08846	1.0
190.06125	0.9
191.03397	1.2
191.06998	11.7
192.04128	1.0
199.03864	11.7
203.06972	15.6
203.77655	1.0
205.04927	1.2
207.06523	2.8
207.13818	1.5
216.04187	1.4
217.04918	20.7
221.07993	2.3
231.06500	8.3
231.13737	1.1
234.05237	1.0
249.07545	100.0
249.14856	2.5
249.18517	1.1
250.08046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1116
Annotation	Nigerapyrone D
Peak:m/z	Relative Intensity
53.03944	1.5
55.01851	1.4
55.05495	1.6
57.38113	0.6
59.04999	0.7
67.05508	3.8
68.99778	1.7
69.03417	2.1
69.07054	1.2
70.27068	1.9
71.04992	0.9
79.05491	4.5
79.13332	0.5
79.33067	0.6
81.03403	2.2
81.07046	6.3
83.04958	0.9
85.02837	0.8
91.05466	5.9
91.45708	0.6
93.07030	3.2
94.61991	0.6
95.04953	3.5
95.08578	1.5
97.06543	0.6
99.04467	0.8
103.05471	1.0
105.07021	9.5
107.04939	1.9
107.08571	2.7
109.02846	1.6
109.06481	4.9
109.10092	0.7
115.05424	2.2
117.06988	1.4
119.04926	1.7
119.08524	3.6
121.06479	2.5
121.10083	0.7
123.04440	3.4
123.08083	1.5
123.11729	0.6
125.02390	3.7
125.05985	0.9
125.09541	0.7
128.06200	2.9
129.06992	2.4
131.04916	0.8
131.08545	2.0
133.06490	9.0
133.10118	2.1
135.04401	1.4
135.08041	1.7
135.11781	0.7
137.05963	3.5
137.09613	0.9
142.07751	2.2
143.08537	2.4
145.06454	2.2
145.10095	2.0
146.07231	0.8
147.04369	2.9
147.08055	3.7
147.11644	1.7
148.05156	1.5
149.05933	1.4
149.09563	0.7
151.03911	1.1
151.07521	1.3
151.11131	1.3
152.06146	0.7
153.05435	1.7
157.06461	1.1
157.10062	2.0
159.04376	0.7
159.08067	1.4
159.11554	1.1
161.05949	18.4
161.09561	4.9
163.11137	1.0
165.05470	2.5
165.09120	0.8
167.03403	1.3
167.08466	0.9
170.07262	1.0
170.10947	0.8
171.08060	1.5
173.05980	1.5
173.09659	1.1
174.06793	1.4
175.03902	0.8
175.07532	3.4
175.11206	1.9
177.05466	8.1
179.06981	4.5
179.10609	1.6
185.09578	2.3
185.13272	1.0
188.04636	0.8
188.08321	1.1
189.05467	7.9
189.09067	9.4
189.12715	2.5
191.03200	0.8
191.06993	1.8
191.10741	0.8
192.07776	1.6
193.08600	0.8
195.06485	5.3
198.06726	1.1
199.07567	0.8
201.05463	5.3
202.06215	1.0
203.07011	1.9
203.10611	7.4
203.14357	2.3
205.08559	1.1
206.05769	0.9
206.09314	0.7
207.06595	5.6
207.10130	9.8
207.13705	1.8
213.09103	4.5
216.07803	2.8
217.08521	1.1
219.06512	11.7
220.07204	0.8
221.07977	1.3
221.11765	2.3
231.06541	1.4
231.10141	30.0
231.13577	4.2
234.08809	2.9
249.11194	100.0
249.14726	7.5
249.18427	1.6
250.11482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1278
Annotation	4-Epiphyllanthine
Peak:m/z	Relative Intensity
53.03926	1.0
55.01868	9.6
58.03498	0.9
59.64137	1.0
66.68415	0.9
67.05492	2.4
69.03409	1.5
69.07063	15.4
69.65435	4.9
70.02937	3.6
77.03892	1.1
78.04691	2.1
79.05492	9.3
80.04992	2.4
81.07046	1.5
83.04974	2.1
87.08105	1.2
91.05448	3.7
93.07010	1.7
94.06004	1.7
94.06552	10.7
95.04961	4.2
95.07330	4.5
96.26213	1.1
97.06519	13.8
105.04514	1.1
105.05762	1.1
105.07012	3.1
106.04173	2.6
106.06543	6.9
107.04946	17.9
109.02876	1.8
115.05402	1.6
117.07028	1.1
119.08501	1.8
120.08084	1.4
121.67724	1.0
122.06018	16.2
122.06823	1.9
123.04425	2.9
123.06802	6.9
124.05201	6.9
128.06117	1.9
129.06979	2.5
131.08549	2.0
132.04488	1.5
133.05215	1.4
133.06436	1.7
134.03596	4.2
134.06006	33.3
135.04404	13.4
145.99986	1.1
150.05507	10.7
151.06271	66.3
152.07071	11.9
157.06430	1.3
159.08009	2.3
160.07455	1.3
161.05902	1.9
162.05536	2.8
163.11124	1.3
176.07117	1.4
185.09534	1.5
187.07538	2.9
188.06981	5.8
189.07301	1.3
189.09111	1.2
230.03986	1.1
230.11740	24.1
248.12799	100.0
249.07353	2.5
249.11104	9.2
249.13092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1279
Annotation	4-Epiphyllanthine
Peak:m/z	Relative Intensity
53.03934	3.3
55.01867	6.0
67.04179	0.6
67.05499	5.0
69.03411	1.3
69.07063	9.0
70.02940	3.3
71.05006	0.8
71.40148	0.8
71.40472	0.8
72.08124	0.9
78.04707	1.2
79.05492	5.8
80.05003	1.4
81.03410	10.8
83.04951	0.8
85.06518	0.6
86.09690	1.2
86.33371	0.7
90.36483	0.6
91.05449	2.3
94.06549	6.6
95.04952	5.9
95.07326	1.9
97.06519	19.2
104.04965	1.2
105.05780	1.6
105.06982	0.9
106.04166	1.8
106.06561	4.1
107.04295	1.0
107.04948	9.4
109.02853	2.3
111.04024	0.6
113.05991	2.9
115.05470	1.5
117.06995	1.8
118.06512	1.0
119.08511	0.8
121.06439	0.7
122.06022	13.0
123.04404	1.9
123.06792	4.2
124.05178	4.8
131.04926	1.6
131.08537	1.7
132.04427	1.7
133.05240	1.3
133.06366	0.7
134.03624	1.9
134.06003	31.1
135.04410	8.2
135.06772	1.3
135.07970	0.8
136.07536	2.0
140.04222	0.7
140.07101	3.5
145.06529	1.6
146.06010	0.8
147.04404	0.8
148.07584	6.1
150.05475	8.5
151.06273	45.5
152.07065	15.5
157.10191	0.7
159.04395	1.2
159.08022	1.6
160.07494	1.5
161.05931	1.1
162.05472	10.6
164.07047	1.3
164.10689	0.9
167.08565	0.8
173.05849	1.1
174.09145	1.5
176.10712	1.8
178.08617	1.5
187.07507	1.0
188.07018	1.4
189.09105	0.6
190.08559	1.2
192.10056	3.5
204.06554	1.1
204.10187	15.9
213.09077	1.7
220.09673	3.9
230.11739	4.9
248.09027	11.7
248.12798	100.0
249.07565	1.4
249.11046	1.4
249.13167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28856	0.8
53.03942	19.3
54.25349	0.7
55.01869	9.5
55.05504	1.3
56.05028	1.1
57.03432	1.7
57.23735	0.8
59.34282	0.9
65.03917	1.2
67.05501	20.2
69.03423	1.9
69.07063	6.3
70.06592	1.6
71.52218	1.5
73.76929	0.8
79.05491	7.9
80.05003	2.0
81.03411	65.4
81.07048	1.7
84.08130	2.1
85.06520	2.0
86.09687	1.2
91.05471	3.5
93.05794	1.0
93.07034	1.6
94.06577	8.1
95.04958	14.2
95.07369	1.5
96.04472	2.9
97.02911	1.0
97.06522	10.8
98.06000	1.3
99.04446	1.1
105.07021	3.2
106.04132	1.2
106.06553	3.1
107.04954	6.6
107.08614	0.9
107.10400	0.8
108.04484	1.6
108.08113	2.4
109.02871	12.0
110.06058	1.9
112.07596	2.0
113.06001	9.2
115.05409	1.3
117.05762	1.1
117.07036	2.0
119.08569	1.9
120.08078	2.1
121.06544	0.9
121.08785	0.8
122.06008	21.2
122.09637	2.7
123.04398	2.0
123.06770	3.2
124.03951	3.9
124.05206	4.6
124.07568	2.8
126.05508	2.0
127.03912	0.8
129.06964	0.8
131.05042	0.9
131.07281	3.3
131.08524	1.4
132.08069	1.0
133.05226	1.1
133.06561	1.0
134.03625	1.5
134.06001	21.8
134.99704	1.1
135.04359	4.6
136.07529	4.5
136.11250	1.3
140.07043	23.3
145.06462	2.8
145.10152	1.0
146.05943	1.1
146.09613	2.6
147.08000	1.4
148.07549	4.6
150.05495	6.8
150.09102	4.1
151.06273	34.4
152.07050	55.4
159.07985	1.0
161.05965	1.8
162.05493	7.8
164.07045	1.9
164.10718	5.7
174.09149	3.5
176.07094	2.0
176.10652	1.0
178.08620	8.9
184.04829	0.8
185.09578	1.0
188.06900	0.9
192.10176	26.5
200.10805	0.8
202.08556	5.9
204.10146	9.2
205.07191	1.5
206.08060	2.4
217.05025	1.1
220.09662	43.0
221.09932	1.0
230.08528	1.6
230.11821	3.2
231.06349	2.1
248.09180	100.0
248.12808	68.1
249.07407	1.2
249.15054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02354	2.0
53.03930	5.5
55.05503	16.4
56.30686	2.2
56.96532	2.5
57.07053	6.1
62.17305	2.0
67.05495	47.9
69.07058	13.2
70.06533	1.9
70.14200	2.1
71.04978	3.9
71.52454	2.3
79.05482	60.2
80.05032	2.0
81.03390	2.2
81.06589	3.7
81.07045	55.8
83.04958	2.4
83.08603	8.6
85.06544	3.4
91.05466	42.0
93.07034	87.7
95.04946	7.7
95.08600	36.1
97.06534	5.4
97.10155	2.9
98.98431	9.0
99.08058	4.7
103.05470	2.9
105.07024	32.1
107.04940	4.4
107.07879	3.5
107.08582	58.0
109.06477	5.4
109.10147	15.2
111.08046	4.7
117.06963	10.5
119.08566	20.8
121.06483	3.8
121.10130	47.6
123.08079	3.2
123.11702	4.2
125.09644	3.0
125.79081	2.2
128.06218	4.2
129.07028	2.6
130.07777	3.0
131.08565	20.0
133.10135	17.8
135.11673	49.6
143.08548	4.9
145.06458	5.3
145.10092	26.1
147.11676	23.1
149.09624	3.6
149.13237	34.8
157.10077	1.9
159.08046	3.6
159.11670	18.1
161.13239	7.6
163.11092	2.9
163.14793	7.1
165.12817	2.9
173.02094	2.8
173.13269	14.3
175.03889	8.2
175.14774	3.1
183.08185	2.3
183.11813	2.9
187.11147	5.2
187.14789	9.1
189.09041	4.5
201.09070	3.4
201.12758	6.8
201.16379	4.9
205.15651	2.4
229.08363	4.9
229.10301	3.7
229.12215	5.7
229.19510	40.7
247.05917	5.1
247.09636	21.0
247.13374	9.5
247.16887	7.7
247.20543	100.0
247.24329	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	248.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	2.7
55.05481	2.6
56.05012	2.6
56.96559	86.7
57.03430	2.1
60.04509	4.4
60.95825	2.2
61.02914	2.5
63.04958	1.8
64.75320	2.3
67.03300	1.9
69.03413	5.5
70.06562	6.3
70.23312	7.0
70.98102	3.6
71.04957	2.2
71.95250	3.8
72.08126	3.0
72.96011	3.6
73.02906	3.4
74.06039	3.3
74.97591	3.8
81.03378	2.6
81.04544	2.2
84.04473	3.9
84.08127	27.4
84.95995	6.8
85.02898	13.4
86.09693	22.6
87.10030	11.7
97.02868	7.1
98.97572	100.0
103.03923	2.8
104.07075	5.6
110.07153	2.5
110.97584	3.7
111.04373	2.1
115.00626	3.8
116.98606	98.9
118.51336	2.2
119.01845	2.6
120.01996	3.4
121.01593	3.2
126.02303	1.9
128.98599	6.9
129.10217	5.7
131.00168	3.6
134.01236	3.6
134.99641	57.0
136.06160	2.9
140.00174	2.7
142.05322	2.5
143.00162	4.3
144.03371	2.0
146.99614	5.7
149.01172	2.3
153.00658	8.9
154.03674	2.0
155.04617	4.0
158.01183	3.7
158.04863	6.7
158.99620	5.8
160.06430	7.2
161.01207	9.2
161.02779	2.6
162.98984	2.9
163.04088	2.2
165.00652	5.5
173.01335	2.3
176.05963	2.2
177.00693	10.0
178.07443	5.0
188.05876	6.2
189.00638	4.2
189.04309	14.4
193.00151	3.5
202.09776	3.7
206.07033	9.8
207.01755	4.6
207.05351	12.7
219.01788	3.4
223.01143	3.0
224.08093	10.4
230.06989	32.0
243.01704	3.7
248.08020	67.8
248.10458	4.5
266.09079	9.8
267.00275	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	247.0963
Annotation	Hibiscoquinone B
Peak:m/z	Relative Intensity
50.41413	0.5
50.90117	0.6
53.03920	0.5
53.40564	0.5
55.05505	1.5
56.96542	0.7
57.07100	0.6
57.65906	0.5
65.80312	0.5
66.26316	0.6
67.05490	1.6
69.03411	1.7
69.07044	0.9
77.84682	0.5
79.05478	3.4
81.07054	2.7
83.04955	2.5
91.05476	6.9
93.07012	2.0
95.04947	1.6
95.08586	0.9
103.05434	1.3
105.07017	7.0
107.04944	2.2
107.08556	1.9
108.80647	0.6
109.06520	1.6
109.10129	0.8
111.04437	0.7
115.05428	3.6
116.06226	1.6
117.07013	4.4
119.04935	2.9
119.08582	2.4
121.02895	0.6
121.06502	1.3
121.10139	0.8
123.04421	1.2
123.08001	0.7
127.03899	0.7
128.06213	2.2
129.07021	4.5
130.07782	2.4
131.04982	1.2
131.08563	5.2
132.05716	0.7
133.06464	2.1
133.10114	1.2
135.04417	0.7
135.08051	0.7
137.05965	1.2
141.06964	3.0
142.07777	4.0
143.08560	3.3
144.05673	2.9
145.06473	4.7
145.10095	6.6
147.04369	1.0
147.08015	0.9
149.05954	1.1
151.07494	1.2
153.06981	2.2
154.07768	1.0
155.08540	4.5
157.06525	0.6
157.10037	1.4
158.07312	4.3
159.04419	1.3
159.08046	5.9
159.11636	1.6
160.05144	1.1
161.05962	2.3
161.09601	0.8
163.03882	0.8
163.07521	1.5
163.11180	0.8
168.09401	1.0
169.06395	1.3
169.10107	5.5
171.08058	2.7
172.05212	0.8
173.05937	1.6
173.09615	10.9
173.13216	0.7
175.03920	3.4
175.07477	1.1
176.14328	0.8
177.05490	2.4
177.09102	1.0
177.14613	0.6
178.06258	1.6
179.03322	0.7
183.08031	1.5
183.11664	2.9
186.06770	1.9
187.03862	0.7
187.07532	6.0
187.11166	2.8
189.05438	3.9
189.09061	2.0
190.06207	1.5
191.07071	1.3
191.10651	5.5
200.04695	0.7
201.09094	9.9
201.12759	1.4
203.07091	0.7
204.07785	1.9
205.04927	0.8
205.08560	1.9
211.07509	1.4
211.11131	5.0
214.06274	1.8
215.06984	4.8
217.04950	30.6
218.05344	0.6
219.06685	1.2
219.10146	26.4
229.08592	8.2
229.12181	4.3
231.06476	6.6
232.07295	20.9
233.07813	0.7
236.80684	0.5
247.09641	100.0
247.13216	6.5
247.16895	2.2
247.22501	4.5
247.24619	1.6
248.09964	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	247.0599
Annotation	hispidin
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	3.4
55.05500	0.7
57.03418	0.5
59.04981	0.6
61.95780	0.4
65.03942	0.6
67.01861	0.8
67.05503	0.8
67.93031	0.4
68.99439	0.8
68.99784	9.6
69.03421	1.3
69.07038	0.4
69.25144	4.5
70.06585	0.7
72.08142	1.5
72.49401	0.4
79.05492	1.3
81.03383	1.3
81.07040	1.5
84.04508	0.7
84.08118	0.4
85.02888	1.2
86.09699	2.4
89.03915	0.5
91.05454	2.8
93.07043	0.9
95.04975	0.5
95.08569	0.5
97.02874	0.6
103.05449	1.2
105.07032	2.1
107.04936	3.4
107.08589	0.7
109.02871	1.1
109.06489	0.7
110.07174	0.6
111.00798	8.5
111.04441	0.6
115.05421	2.4
117.06962	3.2
119.04950	1.3
119.08558	0.6
120.08089	1.2
121.02856	1.3
121.06494	0.9
123.04400	2.1
123.08011	0.6
127.05440	0.8
127.46545	0.5
128.06200	1.1
129.06953	0.8
131.04895	2.9
131.08540	1.5
133.06567	0.9
135.04407	3.8
137.02333	5.7
137.05972	0.5
139.03891	0.8
143.04909	1.1
143.08578	1.2
144.09309	0.6
145.02850	1.1
145.06500	6.0
145.10088	1.0
147.04367	0.9
149.02361	0.6
149.05952	1.3
151.03888	0.6
151.07570	0.6
152.04793	0.5
153.07002	0.4
155.04916	4.9
155.06061	0.7
156.30032	0.6
157.06490	0.7
157.10098	0.6
159.04393	1.5
159.08076	1.2
159.11659	1.1
159.64429	0.4
161.05927	2.6
163.03888	10.0
163.07503	1.0
173.05966	9.0
173.13226	0.6
175.03871	2.2
176.04645	0.7
177.05492	2.9
183.04407	5.4
183.08096	0.5
183.11717	1.3
187.03870	3.8
187.07527	0.7
187.11162	1.6
189.09062	0.9
191.03409	0.5
191.07054	2.7
200.04654	0.9
201.05449	16.2
201.12704	1.9
203.03412	1.3
203.06999	0.6
205.04953	1.2
211.03767	0.7
218.48438	0.5
219.06534	4.1
229.04961	23.6
229.08472	0.9
229.12300	2.4
247.06006	100.0
247.13359	2.7
248.06364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	hispidin
Peak:m/z	Relative Intensity
50.87529	0.4
53.03933	0.5
55.01853	2.3
57.20148	0.4
65.03925	0.6
67.01865	0.6
68.99783	8.9
69.03397	0.7
69.07035	0.8
70.06590	0.8
70.29806	1.1
71.81978	0.4
72.08082	0.4
79.05466	1.3
81.03384	1.0
81.07042	0.9
82.94818	0.4
83.04899	0.4
85.02885	1.1
86.09669	1.5
91.05459	2.6
93.07016	0.8
93.85480	0.4
95.04955	0.9
97.02887	0.8
97.06493	0.6
102.00527	0.4
103.05461	1.6
105.03357	0.5
105.07023	1.9
107.04920	3.9
109.02862	0.9
109.06522	0.5
111.00791	6.0
111.04414	0.6
111.56493	0.4
115.05427	2.1
117.07015	2.4
119.04932	0.8
119.08572	0.9
120.08133	0.9
121.02855	0.8
121.06478	0.8
123.04399	1.6
127.03854	0.4
128.06189	1.0
129.06979	1.5
131.04929	2.4
131.08522	1.9
133.06462	0.6
133.10114	0.5
135.04399	3.8
135.07997	0.6
137.02356	5.2
137.03363	0.6
137.06000	0.5
141.06960	0.4
143.04910	1.0
143.08510	1.3
145.02847	1.5
145.06456	4.5
145.10100	1.4
147.04396	0.9
149.02390	0.6
149.05942	1.4
149.09636	0.5
151.03941	0.7
151.07510	0.4
153.01781	0.6
155.04901	5.2
155.06041	0.9
155.08557	0.8
157.06436	1.4
158.07318	0.8
159.04468	1.2
159.08025	1.8
159.11684	0.8
161.05942	2.2
161.09607	0.6
162.05450	0.6
163.03879	11.0
163.07545	0.6
173.05956	7.3
173.09529	0.9
173.13338	0.6
175.03944	2.1
175.07503	0.7
176.04662	0.8
177.05411	1.6
183.04393	3.2
183.11661	0.9
184.05150	0.8
186.06955	0.4
187.03839	3.0
187.07500	1.2
187.11128	1.4
189.09015	0.7
190.06081	0.5
191.07001	2.3
200.04640	0.8
201.05444	13.9
201.09105	1.0
201.12657	1.8
204.10170	0.9
205.04945	0.7
209.03091	0.4
219.06462	1.5
219.13495	0.5
229.04932	15.4
229.08327	2.6
229.12093	2.3
247.05995	100.0
247.09503	3.2
247.13283	2.2
248.06279	1.3
248.12840	1.3
265.07092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	hispidin
Peak:m/z	Relative Intensity
55.01864	3.3
67.01834	0.5
67.39481	0.3
68.99783	7.3
69.03423	0.4
69.93906	1.6
70.06586	0.4
72.08158	1.5
79.05479	0.8
81.03413	0.6
81.07026	0.6
85.02898	0.7
86.09709	1.6
86.10214	0.2
86.10323	0.2
91.05464	1.9
93.03396	0.3
93.07033	0.4
95.04942	0.4
97.02866	0.5
103.05434	1.1
105.07008	1.3
107.04954	2.5
109.02876	0.6
111.00058	0.5
111.00792	6.8
111.04421	0.6
115.05443	1.9
117.03352	0.3
117.07014	2.8
119.04932	0.7
119.08600	0.5
120.08099	1.8
121.02819	1.6
121.06467	0.8
123.04427	1.4
123.07977	0.3
125.07887	0.3
127.03907	0.3
127.05422	0.3
128.06227	0.8
129.06952	0.7
131.04893	1.8
131.08575	0.6
133.06442	0.6
135.04395	3.2
135.08034	0.3
137.02325	2.5
137.06004	0.4
139.03899	0.6
143.04904	0.9
143.08470	0.4
144.05713	0.4
145.02818	0.9
145.06480	4.7
145.10168	0.3
147.04390	0.6
147.07985	0.4
149.02306	0.5
149.05998	0.8
150.03130	0.4
153.01828	0.6
155.04883	3.4
155.06038	0.7
157.06447	0.4
159.04382	1.3
159.08014	0.5
159.11639	0.4
161.05962	1.7
163.03893	9.0
163.07495	0.5
168.09300	0.4
173.05983	6.6
175.03928	1.0
176.04723	0.7
177.05432	1.5
183.04411	3.4
187.03918	2.7
187.11156	0.6
189.09045	0.7
191.07019	2.2
200.04680	1.3
201.05450	13.3
201.12726	0.6
202.05887	0.4
203.03401	0.5
203.07030	0.7
204.04080	0.3
205.04919	1.0
211.03819	0.5
219.06516	2.2
228.04128	0.4
229.04935	20.1
229.08549	0.5
229.12196	0.9
232.03618	0.3
245.04436	0.5
247.06001	100.0
248.06339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.2
55.56057	2.0
56.05015	7.3
56.05262	1.7
56.96551	5.2
57.03432	2.1
60.04509	2.4
62.49350	1.9
69.03440	2.3
69.07039	7.0
70.02934	2.7
70.06566	5.8
71.02199	4.7
72.08150	91.0
74.02424	4.4
79.05482	2.8
82.02928	5.7
84.04501	14.3
84.08143	13.9
85.02900	4.1
85.08439	3.6
86.09697	45.1
87.05571	7.3
87.10031	4.6
88.03986	4.1
88.26876	2.1
97.06522	10.9
98.06043	19.7
100.07578	2.4
101.00895	5.9
102.05535	6.3
103.00600	3.2
103.03899	2.7
110.07155	4.7
119.01923	15.9
121.01643	8.0
129.10210	2.3
130.04935	5.7
130.08644	2.1
131.01913	4.8
131.03360	3.6
133.03465	4.6
133.06111	10.1
134.14069	2.4
140.07054	5.2
142.08640	3.2
143.01781	2.8
144.06557	10.4
145.03459	4.2
148.06015	14.6
157.09741	4.0
161.02948	4.9
163.02666	2.4
169.01662	2.0
173.02965	6.7
175.11992	2.0
186.07590	3.2
187.00989	3.3
187.02682	6.7
203.10220	7.0
204.89555	2.1
215.00340	5.2
217.03896	2.4
229.03166	31.0
230.06516	5.5
236.37605	2.3
247.04228	100.0
247.07857	19.1
247.13127	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	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05508	2.1
56.05037	2.1
56.96560	100.0
57.03434	2.0
57.50464	0.8
60.05632	0.8
61.02922	2.9
62.17159	0.8
65.97110	0.6
67.05503	1.7
68.05052	1.0
68.99771	1.5
69.03417	2.0
69.07056	0.9
69.77281	4.3
70.06581	7.0
70.98115	28.5
71.04984	0.8
71.95262	2.7
72.08146	8.1
72.96104	0.8
73.02927	1.2
73.08469	0.6
74.97591	8.7
81.03416	1.2
81.07059	1.4
84.04507	4.5
84.08131	5.8
84.96028	3.9
85.02915	2.9
85.08460	1.6
86.09701	11.2
86.97594	1.4
87.05619	0.7
88.03993	2.3
88.99155	26.2
91.05473	2.2
92.98639	2.3
93.07033	0.9
95.04963	1.2
95.06129	0.7
97.02903	3.3
97.99190	1.6
98.21489	1.2
98.97567	15.5
100.07634	0.7
100.99169	2.0
102.05527	0.9
104.05276	0.7
105.06987	1.3
107.00198	13.6
107.04931	1.5
107.08601	0.9
109.02849	0.8
110.07172	1.6
110.97601	2.6
115.08698	0.7
116.00231	1.0
116.07101	1.2
116.98608	14.4
117.07011	0.9
119.00191	3.4
119.00982	0.6
119.01914	2.6
120.08127	0.8
121.01673	2.0
123.04427	0.7
125.01166	0.8
127.03914	1.3
128.98592	11.3
129.10231	2.3
130.08620	1.1
131.00180	1.2
131.01929	0.8
131.08548	1.4
133.01657	3.2
134.99654	13.2
135.04445	1.3
136.06216	0.7
136.07565	1.9
139.02742	0.8
139.03885	1.1
141.01253	1.1
143.00159	1.8
143.08569	2.3
144.10194	1.1
144.98061	5.2
145.01714	1.2
145.06534	1.3
145.10136	1.1
146.99629	41.4
147.03336	1.7
147.04459	1.9
148.97585	2.0
149.01221	0.9
153.00722	2.3
153.06660	0.8
155.04758	0.8
157.10014	0.9
158.01314	0.9
158.99631	2.0
159.03278	1.7
159.04469	1.1
159.08055	1.9
161.01231	8.0
161.02953	1.4
162.99130	14.7
163.02719	2.4
163.03851	3.2
165.00702	77.0
170.01248	1.8
173.01241	0.9
173.05966	1.7
174.99144	3.1
175.02663	1.7
175.04016	2.4
177.00714	6.0
177.04272	0.9
179.02225	5.6
181.00185	10.4
181.03688	0.8
183.01765	12.5
183.03175	1.2
183.11569	1.2
186.99138	2.5
187.02676	2.2
187.04211	1.0
187.11125	2.6
188.02231	4.3
188.97124	1.0
189.04156	0.7
189.09077	0.7
191.02187	1.0
193.00156	4.6
198.99292	0.9
199.01193	1.4
201.00697	2.9
201.02469	1.3
201.05518	1.6
201.12743	1.9
203.02184	1.0
205.00185	33.0
205.01648	1.5
205.03886	2.7
206.03250	1.2
219.01645	1.5
223.01234	54.7
223.04868	2.0
228.01823	2.5
229.05116	1.8
229.08698	0.7
229.12231	2.7
237.02838	1.2
241.02324	5.5
243.01825	0.8
246.02821	3.7
246.99123	0.9
247.01239	4.2
247.06241	10.6
247.09605	1.3
247.13283	3.1
247.15732	1.1
254.36856	0.8
265.02277	1.6
265.05807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
56.05035	9.7
56.96560	45.9
57.03426	5.4
60.04512	3.8
60.05633	5.9
61.02911	5.2
67.05517	4.9
68.78385	3.5
68.97855	3.3
69.03422	10.0
69.07069	27.9
70.06593	34.7
71.52018	6.4
72.04530	4.4
72.08151	41.6
73.02895	4.6
82.06540	3.3
84.04504	32.8
84.08138	78.9
85.02904	10.5
85.04026	12.3
86.06054	6.0
86.09698	45.5
86.79228	3.7
87.05588	24.4
88.03963	6.2
96.04520	4.2
96.08152	11.5
97.02909	10.9
97.06516	4.7
98.02423	13.1
98.68340	3.4
98.97582	16.8
100.07635	7.3
102.05544	8.2
104.07101	4.5
107.04945	4.0
109.02864	5.6
110.02399	19.8
110.06072	3.8
110.09673	5.5
112.07608	8.8
112.08695	4.1
113.10773	10.6
114.05550	9.4
115.08667	5.1
116.07117	4.4
116.98568	12.1
117.97997	19.2
119.01908	3.5
124.07603	3.9
127.03935	4.2
128.98598	4.3
129.10249	23.0
130.04990	10.1
130.08646	25.7
132.06496	4.8
132.10207	10.1
134.04503	3.7
134.99614	4.4
135.04408	4.7
141.10225	25.2
142.04958	8.9
146.01126	7.6
146.99670	6.6
147.11278	17.4
156.03293	35.9
156.10208	6.3
161.01186	4.3
166.08662	37.2
168.03377	6.4
174.00575	27.0
174.04381	91.4
175.11951	5.9
177.00691	3.4
183.11230	6.2
184.09679	5.5
186.04398	80.2
187.10742	28.3
192.01691	29.1
192.05428	18.8
200.13959	12.7
202.10724	27.5
204.01662	11.8
204.05414	100.0
209.05917	6.6
212.09175	30.4
222.06583	7.0
223.01497	4.9
228.05371	44.6
229.11845	15.3
246.06567	54.2
246.13570	4.4
246.15636	27.4
246.18219	19.5
246.24388	5.2
247.06091	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	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05505	0.2
57.07060	0.3
58.24176	0.2
59.09048	0.2
61.82207	0.2
67.05520	0.4
68.99770	0.3
69.07056	0.8
69.47054	1.0
69.47482	0.5
70.06580	0.3
70.74250	0.2
72.08163	0.3
80.04995	0.3
84.04523	0.3
84.08135	0.4
84.32975	0.2
86.09693	100.0
87.10043	0.7
88.99349	0.2
91.05459	0.4
95.04971	0.3
102.93319	0.2
103.05479	0.2
115.05385	0.3
116.05400	0.2
120.08056	0.2
123.04401	1.2
132.10168	3.1
132.76405	0.2
133.06470	0.6
142.03204	1.7
147.04422	0.3
151.03876	2.0
157.06528	0.3
161.05977	0.6
171.04388	0.4
173.02812	0.2
175.07541	0.2
177.00648	0.2
199.03918	0.3
199.07526	0.5
199.11160	0.4
199.18030	1.1
203.03841	0.3
217.05029	0.3
227.07030	0.3
245.04417	7.9
245.08041	1.8
245.11513	0.3
245.18611	3.9
246.04752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.54287	0.3
51.77034	0.2
56.05009	0.3
57.05794	0.4
58.06571	0.3
68.99798	0.4
69.07062	11.5
71.15835	0.5
79.05501	0.3
84.08141	0.6
86.09698	100.0
87.10024	0.4
91.22845	0.3
93.37861	0.2
98.97578	0.3
105.07042	0.4
123.04395	0.8
127.36172	0.3
132.10179	2.2
133.06461	0.4
142.03224	0.9
147.04353	0.3
151.03909	1.0
171.04369	0.5
199.18060	0.6
245.04410	6.8
245.08165	0.6
245.11763	0.4
245.18596	3.3
246.04802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.2
57.07072	5.9
62.43176	0.9
64.30415	1.0
67.05500	12.8
69.07060	19.1
69.94890	5.1
71.21614	0.9
73.19215	0.9
79.05484	7.7
80.50060	0.9
81.07046	28.0
83.08607	10.1
83.67352	0.9
91.05466	8.0
93.07037	18.6
95.05034	0.9
95.08598	35.6
97.10152	5.1
98.21565	0.9
105.07020	20.6
107.08583	30.7
109.09385	1.5
109.10142	23.7
119.08568	26.1
121.10130	22.6
123.11691	16.1
131.08556	1.0
133.10117	18.6
135.11667	17.7
137.13243	8.5
145.10074	1.9
147.11676	14.9
149.13245	18.3
151.14775	1.7
159.11670	1.0
161.13248	17.2
163.14813	22.8
172.38275	0.8
175.14812	24.3
177.16386	2.2
179.48276	1.0
187.14807	1.4
189.16376	24.9
203.17947	11.6
219.08684	0.9
245.22629	100.0
246.22737	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01851	5.2
55.05507	94.5
57.03432	30.0
59.05002	2.5
67.05495	25.2
69.03418	9.6
69.03725	1.7
69.07064	14.5
70.75739	5.4
79.05490	27.4
81.07046	23.2
83.04964	7.2
83.08611	52.6
88.54442	1.7
91.05476	13.4
93.07047	10.8
95.04945	2.6
95.08603	5.0
97.10160	98.3
97.25445	1.7
99.83088	1.7
105.07016	6.1
107.08588	31.5
109.10125	5.4
111.08042	2.1
119.08572	4.4
121.10110	3.9
125.09616	100.0
128.06223	1.9
133.10097	5.7
135.08029	12.8
135.11652	3.9
142.03227	1.7
143.10657	6.5
147.11649	5.3
153.09093	6.6
161.13248	4.3
163.14902	3.1
171.10117	5.4
171.65781	1.8
173.55257	1.8
189.11197	95.1
215.75793	1.8
223.95996	2.0
245.04460	2.6
245.13818	64.2
245.18929	3.5
245.22635	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	245.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17136	1.6
53.03915	2.4
54.07532	2.0
55.01849	5.4
55.05506	85.1
57.03157	2.3
57.03431	32.6
59.04965	2.4
63.83631	1.7
67.05498	23.8
67.96387	2.6
69.03405	7.8
69.07070	14.6
70.43151	7.1
71.04978	2.5
79.05489	22.5
81.07049	20.6
83.04968	2.3
83.08608	52.9
91.05467	9.7
93.07037	12.4
95.08585	3.3
97.10160	100.0
105.07008	6.4
107.08579	26.2
109.10143	4.5
111.08038	4.2
117.06984	4.6
119.08560	3.4
121.10116	2.7
125.09616	95.8
131.08571	1.9
133.10089	5.4
135.08032	9.8
143.10680	6.6
147.11723	2.4
153.09100	5.1
161.13275	3.3
171.10083	7.0
179.86588	1.7
189.11206	83.3
217.63676	1.8
245.04323	3.9
245.08040	2.8
245.13788	54.3
245.18956	3.7
245.22690	10.1
252.09605	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.3
55.05505	87.5
57.03432	29.5
59.04998	2.6
65.74148	1.7
67.05499	26.5
69.03410	9.0
69.07050	11.4
69.55711	4.9
69.56124	8.7
74.37679	1.9
79.05481	25.4
81.06673	1.8
81.07059	20.5
83.04963	5.9
83.08614	46.8
85.06517	4.3
91.05454	10.1
93.07052	12.0
93.07539	2.2
95.08572	6.1
97.10162	100.0
99.63325	2.1
105.06993	7.3
107.04953	2.3
107.08584	31.0
109.10141	5.6
111.08072	3.7
117.06989	4.2
119.08564	6.1
121.10135	3.4
125.09618	98.0
133.10086	7.4
135.08028	8.9
143.10663	6.6
147.11607	3.5
151.24419	2.2
153.09090	8.3
157.10086	2.0
161.13235	3.9
163.14827	2.6
171.10112	4.7
182.46506	1.9
189.11192	95.7
245.04472	3.2
245.08139	5.6
245.13820	61.1
245.22722	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	245.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.0
56.96564	14.8
57.47628	1.0
57.86683	1.2
58.99854	2.8
68.98277	2.1
69.03426	2.6
70.06579	6.5
70.99861	1.9
71.01333	1.2
71.52428	1.4
71.95272	1.1
71.97616	1.1
72.08151	2.5
73.02890	1.4
74.77785	0.9
77.00902	3.6
81.03402	1.2
82.89482	1.0
82.99829	2.2
84.04482	1.7
84.08121	4.7
84.96027	1.0
85.02885	3.0
86.06058	2.2
86.09698	2.1
88.02129	1.2
89.00887	1.3
97.02851	5.0
98.97571	9.9
100.11263	1.6
100.99098	1.3
101.00872	35.6
103.02448	2.3
104.10715	2.3
105.00356	2.5
110.97549	1.6
112.05066	3.6
113.00847	4.2
113.05388	1.3
115.02408	2.8
116.07063	1.2
116.98610	7.1
118.03534	2.4
118.97581	1.0
119.01911	100.0
120.01968	1.6
126.96854	1.0
127.02380	2.7
128.98511	1.0
129.03949	3.4
129.10245	1.8
131.01883	20.6
132.73785	0.9
133.03445	6.6
134.99651	4.2
136.04552	1.8
137.02954	16.8
138.03029	1.2
139.02393	2.3
142.01903	1.7
142.03532	2.8
142.96463	2.4
143.01898	14.0
144.97078	1.1
145.03458	24.5
145.04512	1.2
146.99640	1.7
147.01355	4.2
147.04991	3.5
149.02933	2.9
153.03906	1.8
154.03549	1.1
155.01872	23.4
155.02959	1.5
156.02699	1.1
157.03477	19.8
158.99692	1.7
159.04990	1.9
160.97591	2.3
161.02948	32.6
162.03072	1.3
163.04567	5.0
165.00755	1.4
165.02621	1.2
167.01909	11.4
169.03458	4.0
171.05032	5.8
172.04582	2.3
173.01390	2.2
173.02927	34.0
173.04085	2.2
174.03096	1.9
175.04523	10.3
177.06050	1.2
179.01869	6.2
184.04515	2.3
185.02937	75.0
186.03021	2.2
187.04509	6.7
188.84378	1.2
188.97054	4.7
189.00844	1.3
190.98590	1.8
191.03952	3.3
191.05379	1.4
193.00177	1.8
196.04552	1.7
197.02914	29.1
202.98642	1.3
203.03998	20.8
205.05684	1.4
206.98117	5.0
208.04544	3.9
208.99670	1.4
215.03911	6.7
215.05307	4.6
220.04639	1.7
221.05034	15.1
222.05295	1.1
227.03993	3.7
244.06500	1.1
245.04951	38.2
245.11478	3.1
245.14796	1.4
263.06152	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
56.96560	14.3
57.03438	0.4
58.96149	0.3
58.99867	0.7
60.04541	0.3
60.95845	0.9
69.03442	1.8
69.53837	1.6
69.54250	0.8
71.01370	0.7
71.95264	1.3
74.97603	0.4
75.94542	0.3
77.00896	0.8
77.29041	0.3
81.03407	1.7
82.99891	1.0
84.08144	0.6
84.96060	0.7
85.02889	0.5
95.01329	0.8
95.01904	0.5
97.02866	2.8
98.97579	17.0
99.04449	0.6
101.00868	10.2
102.00976	0.5
102.96859	3.7
103.00633	1.0
103.02428	0.4
105.00370	0.8
109.02875	0.4
110.97549	0.4
113.00875	1.2
115.02436	1.4
116.98615	16.9
118.01142	0.4
119.01914	47.3
120.01988	3.3
120.97887	3.0
121.00769	0.4
121.01655	7.1
121.02434	0.7
124.02395	0.4
124.99174	0.4
127.02408	0.6
127.03915	0.5
128.98616	0.4
129.04088	0.5
131.00287	0.5
131.01904	8.1
132.96547	0.3
133.03462	2.0
134.99663	18.1
135.99994	0.5
136.99631	0.7
137.02951	14.5
138.03073	1.0
138.97939	0.5
138.98929	3.7
139.02649	3.0
140.00194	0.9
142.03453	1.6
142.98595	0.5
143.00165	1.4
143.01888	9.4
145.03450	6.9
146.99675	1.2
147.01382	1.1
147.05009	0.8
149.01222	0.4
149.02957	1.4
151.04449	0.4
152.95926	0.7
153.00702	4.1
155.00668	0.8
155.01904	3.2
156.00246	0.7
156.02705	0.3
157.00015	0.9
157.03448	8.3
157.06432	0.5
158.01268	1.3
158.99802	0.4
159.01469	0.4
159.05034	0.6
160.99628	1.6
161.01369	1.4
161.02945	41.5
161.96434	0.7
162.03101	1.0
162.99261	0.7
163.04550	1.5
167.01978	0.9
169.03456	1.7
170.99994	0.4
171.01389	0.7
171.05083	0.9
172.95299	0.5
173.01405	0.6
173.02945	8.1
173.96263	0.3
174.97734	0.4
175.04506	6.2
176.02425	0.4
177.00932	8.1
178.01013	3.3
179.00691	25.3
179.03949	2.5
179.49791	0.4
180.00822	0.9
180.04883	0.3
182.96790	0.6
183.99767	0.6
184.04544	2.2
184.99706	0.9
185.01468	0.4
185.02921	7.2
186.99112	0.9
187.04533	5.3
188.00011	0.5
189.06071	0.8
190.99507	1.0
191.02336	0.6
191.03976	2.8
192.98643	0.9
193.00197	0.3
193.01997	0.4
193.11528	0.4
194.96352	0.5
195.99803	0.7
196.04558	0.6
197.01532	0.4
197.03014	3.6
199.00874	0.5
199.04459	2.4
200.00092	1.3
200.50253	0.4
200.99049	1.3
201.02505	0.5
201.94691	0.3
202.02393	0.5
202.05565	0.3
202.88213	0.4
202.98904	0.4
203.00899	1.6
203.02339	1.1
203.03984	6.6
203.06979	0.7
205.00294	1.0
205.51064	0.3
207.97856	0.4
207.99823	0.5
208.96388	0.5
209.00565	1.4
209.50781	0.7
209.99530	2.7
210.49687	0.9
210.97702	0.4
210.99484	0.6
211.96223	0.4
212.92236	0.4
212.99223	0.4
213.00995	0.6
214.96332	0.6
215.02548	0.5
215.04034	2.9
216.95042	1.5
216.96045	1.4
217.02069	0.4
217.03802	0.4
217.05602	3.0
218.01088	0.5
218.95857	0.4
219.00052	1.6
219.01988	1.3
219.03806	3.7
219.47989	0.5
219.50163	0.7
220.02090	1.3
220.51439	0.4
221.01747	29.8
221.05199	1.8
221.08044	1.2
221.50320	0.7
221.95334	0.4
221.97459	0.5
221.99571	2.6
222.02016	2.2
222.49713	1.0
226.05554	0.4
227.00803	1.7
227.04008	1.4
229.00435	1.0
229.97067	0.4
230.93445	0.8
230.96170	0.7
231.00066	3.0
231.01973	0.7
231.50217	0.8
233.05116	1.2
233.96750	0.7
234.96355	2.1
239.02570	0.8
239.96318	0.7
239.97034	0.7
239.98395	4.0
240.00638	1.9
240.02692	0.5
240.50772	0.7
240.98161	0.4
241.00380	0.5
242.50900	0.9
244.03497	0.5
245.01875	6.8
245.05064	26.7
245.12312	1.1
246.05237	0.4
251.98080	1.2
255.01987	1.1
256.96829	0.6
256.99921	0.5
257.03534	0.4
257.97632	0.6
258.96362	0.9
260.98859	0.7
261.03128	1.0
263.02856	100.0
263.06012	4.8
264.02957	3.3
268.03311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0649
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
52.64792	0.3
53.00334	0.3
53.03931	0.3
55.01862	1.3
56.96557	0.4
57.03444	0.5
65.03928	3.4
67.05502	0.4
68.99780	5.7
69.07061	0.6
70.06572	0.7
71.52911	0.5
79.05500	0.4
79.64986	0.3
81.03413	0.9
84.04542	0.3
85.06512	0.3
86.09683	1.2
91.05457	2.0
93.07000	0.4
94.69650	0.3
95.01308	0.4
95.04937	0.5
95.08534	0.5
97.02855	0.4
97.06526	0.3
98.97562	0.4
99.04441	0.4
103.05481	0.5
105.07010	0.7
107.04941	7.8
109.02848	0.3
109.06525	0.4
111.04427	0.6
115.05413	1.7
116.13988	0.4
117.07011	0.9
119.04916	1.1
119.08568	1.2
121.02846	20.7
123.04469	0.5
127.03874	0.4
128.06174	0.4
129.06987	0.5
131.04932	1.9
131.08521	1.1
141.06963	8.4
144.05647	1.3
145.06453	2.4
147.04390	3.3
147.08051	2.8
149.02316	100.0
150.02701	1.3
153.07025	0.3
155.06039	0.6
155.08539	0.8
157.06386	0.5
159.08032	1.5
165.05615	0.3
165.06981	2.1
167.03386	1.2
168.05684	0.6
169.06462	9.2
169.07805	0.8
173.05914	1.8
183.08009	2.2
185.05942	0.8
187.07451	2.3
196.65047	0.3
197.05959	12.2
198.06499	0.6
200.04568	0.7
211.07460	3.1
213.05426	0.9
215.06993	98.3
216.07329	1.8
226.15268	0.3
228.07613	0.5
243.06487	51.8
243.10371	1.3
244.06908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65460	0.8
55.11652	0.8
63.71624	0.9
70.06568	1.6
71.51698	1.2
72.08126	1.0
74.02437	6.7
84.08144	1.9
85.02885	1.6
85.42191	0.7
86.09697	1.4
92.64149	0.9
107.90301	0.8
110.49210	0.7
115.05500	0.7
117.05745	16.1
118.65769	0.8
129.07014	6.0
130.06508	36.9
131.07309	6.4
142.06435	1.0
143.07283	12.6
144.08072	13.4
154.06500	15.3
155.06042	8.0
155.07210	1.8
156.06784	1.5
156.08058	21.6
157.07579	20.0
158.06010	7.5
158.08363	6.6
166.06471	1.6
167.07236	0.8
168.60023	0.8
169.05244	5.4
169.07619	3.0
169.17342	1.0
171.09155	27.1
173.05957	1.3
181.07588	24.1
181.09097	1.7
182.06055	4.2
182.08401	3.2
183.09163	13.6
183.10680	1.4
185.07079	61.4
187.06244	1.0
189.00182	0.8
198.10245	27.1
198.12025	1.8
199.08691	1.5
200.07047	2.5
202.06874	1.2
209.07063	13.2
210.57692	0.8
227.08124	100.0
228.08403	3.0
244.07249	2.7
244.10797	21.0
262.87741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03936	0.3
55.05507	0.3
56.05034	0.3
56.96561	1.8
58.06595	19.6
69.03403	0.3
70.06591	3.4
70.09370	1.0
71.04969	0.4
72.08127	0.6
79.05501	0.2
79.62418	0.2
81.03413	0.5
84.08136	9.2
84.70972	0.2
86.51856	0.2
97.02870	0.3
98.06014	0.3
98.09695	1.6
98.20726	0.3
98.97575	1.7
100.11215	0.3
107.04929	0.3
110.07167	0.4
116.07091	0.5
116.64194	0.3
116.97921	0.2
116.98618	1.3
126.05464	0.4
126.09167	0.4
128.10693	3.5
131.01920	0.3
134.99617	0.8
140.90044	0.2
144.10179	1.4
146.43332	0.2
155.04665	0.3
158.08189	0.3
164.05183	0.2
168.10173	0.8
191.03889	0.3
196.09685	5.7
196.13666	0.2
198.98985	0.3
213.16000	0.5
219.01651	0.4
235.01257	0.3
241.15446	100.0
242.15802	2.1
258.99695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.5
56.94299	3.0
56.96554	21.3
57.03423	20.5
58.06584	5.7
61.02905	13.7
61.73051	2.5
69.03426	2.9
70.24274	8.1
70.24686	5.2
71.01340	9.4
71.04971	5.5
72.93777	5.2
73.02901	15.5
81.03408	3.2
83.06085	11.4
84.04517	3.3
84.08131	3.1
84.69276	2.8
85.02884	7.3
87.00814	3.2
87.04440	10.7
89.02375	5.5
90.16800	2.5
90.94817	3.6
97.02855	4.5
98.97563	9.8
99.04405	3.9
100.02456	3.2
101.02351	23.4
103.03923	3.8
109.02844	2.9
113.96391	4.8
115.03922	34.4
116.98595	10.9
119.01842	5.1
129.01791	28.2
129.10185	2.7
131.97456	3.7
133.04926	4.3
137.27795	3.0
143.03378	18.6
144.99780	3.3
157.01308	36.2
157.02538	8.9
161.03149	3.7
161.04399	17.2
171.02902	4.2
172.99435	3.1
173.01125	4.0
175.02403	4.8
177.00806	3.9
189.03908	100.0
196.00829	5.3
196.09636	3.7
214.01987	5.8
219.01811	4.2
228.03531	3.6
242.09995	4.5
242.15784	50.4
243.04735	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01860	4.7
55.05507	30.6
57.07065	36.0
59.04985	24.4
67.05500	34.0
69.03413	6.9
69.06802	4.1
69.07070	48.7
69.34083	17.3
69.34504	30.6
71.04980	20.2
71.08632	6.4
79.05481	13.7
81.07048	88.4
83.04937	5.5
83.08604	32.2
85.06530	17.5
86.09696	54.0
91.05444	12.5
93.07027	34.8
95.04945	10.0
95.08602	100.0
95.43668	4.6
97.06523	18.8
97.10143	21.6
98.21498	9.4
99.04510	5.5
105.06995	31.2
107.04945	5.4
107.08580	44.8
109.06483	5.7
109.10146	67.0
111.08081	14.3
111.11707	9.0
116.98656	4.6
119.08569	25.2
121.10149	34.3
123.08091	9.9
123.11699	41.8
125.09615	11.0
126.05441	6.5
128.30559	6.4
133.10114	27.6
135.11696	30.3
137.09589	9.0
137.13240	73.0
139.11159	17.6
147.11653	37.4
149.13248	20.3
151.11177	11.4
153.12726	5.2
161.13298	16.3
163.14842	25.5
164.09048	4.5
165.12759	6.8
167.07056	4.8
177.16365	6.8
178.85905	4.5
188.27475	5.0
194.11769	4.6
203.17953	59.3
221.15326	8.1
221.18988	51.8
239.08893	10.6
239.17929	9.6
239.19948	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	239.2365
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03938	1.2
55.05505	36.5
56.96553	2.3
57.06802	1.5
57.07065	27.4
59.40446	0.9
59.61009	1.0
67.05495	68.2
69.07059	50.4
71.04982	33.8
71.08624	11.6
71.53143	1.3
79.05483	8.2
81.07043	82.9
83.08611	52.3
85.06531	13.8
85.10166	4.7
89.03860	1.1
89.06007	1.2
93.07030	4.5
95.08593	100.0
97.09569	1.6
97.10160	28.0
99.08068	4.0
105.06960	1.2
107.08598	1.2
109.10139	45.2
111.11704	8.3
117.06968	1.3
119.08518	1.4
123.11694	19.1
125.13237	2.9
129.06952	1.9
135.04445	1.1
137.09567	1.1
137.13237	6.4
141.06941	1.5
142.07732	1.0
143.08482	1.1
145.10213	1.3
151.14751	3.3
155.08525	1.5
156.91449	1.2
157.10089	2.0
163.03859	2.4
165.16289	1.9
169.10139	3.1
171.11700	1.6
181.01515	1.1
183.11662	4.6
197.13216	4.0
204.01730	6.1
215.52588	1.3
221.22612	2.3
224.15723	1.1
239.17984	12.9
239.23654	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2365
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00315	0.9
53.03942	1.2
55.05503	21.8
56.67833	0.6
57.07066	100.0
58.07445	0.5
65.03941	1.3
67.05495	49.7
69.07057	25.1
71.04989	1.6
71.08620	58.6
71.52840	1.0
72.04510	1.8
79.05470	4.4
81.07043	56.1
81.84607	0.6
83.08605	29.8
85.06529	4.2
85.10172	29.2
88.02221	1.0
89.06036	1.4
91.05485	1.3
93.07021	3.2
95.04932	0.8
95.08593	70.4
97.10154	13.5
99.08079	2.5
99.11723	1.0
102.14245	0.6
105.07080	0.7
109.10141	24.9
109.28487	0.5
110.66936	0.5
111.11707	1.2
123.11699	7.5
129.07033	1.2
137.13228	3.1
139.98367	0.6
141.12694	0.6
143.08583	1.0
151.14734	0.8
155.08569	1.4
157.10124	1.3
159.11661	0.7
165.16370	0.6
167.08508	0.7
169.10193	1.4
174.77718	0.5
183.11719	2.0
197.13301	1.1
221.22728	0.6
239.08813	0.8
239.14403	0.9
239.18015	4.7
239.23746	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1588
Annotation	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline
Peak:m/z	Relative Intensity
53.03939	0.9
55.05509	0.2
56.05014	0.3
56.41727	0.2
56.96577	0.2
59.04996	0.6
67.05495	0.5
67.59599	0.2
69.03425	0.4
69.07062	0.6
70.06587	0.5
71.05008	0.3
71.53011	0.4
77.03941	0.3
79.05485	7.0
81.07046	1.2
82.07389	0.3
84.08163	0.3
91.05513	0.3
91.64469	0.2
93.07029	0.6
94.07364	0.4
95.04957	1.2
95.08595	0.4
96.08123	0.2
97.02910	0.4
98.09682	3.6
103.05449	5.4
105.07018	100.0
106.07359	1.3
107.08585	0.3
108.08138	0.3
108.08881	0.4
109.06496	0.3
109.10109	0.4
110.06828	0.3
110.10436	0.2
114.09144	0.5
118.06564	0.3
119.07368	0.3
121.10199	0.3
133.10182	0.3
134.09627	2.5
134.10506	0.3
135.11713	0.2
147.08293	0.2
150.06374	0.6
156.12529	0.4
156.13820	7.9
160.12036	0.3
178.05809	0.4
180.07848	0.9
197.40076	0.2
202.16676	0.2
220.10500	3.8
220.13963	0.3
226.06927	0.3
238.11899	2.3
238.15875	57.8
239.16249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Penihydrone
Peak:m/z	Relative Intensity
51.23672	3.3
52.29836	3.5
53.96852	3.0
55.05506	9.4
57.03434	3.7
57.07059	12.1
58.01819	3.0
67.05495	19.1
68.90636	3.0
69.07053	14.6
71.04988	17.2
75.22990	3.6
79.05482	10.5
81.07053	39.0
83.04976	8.0
83.08617	6.2
85.06539	25.3
89.06052	7.1
91.05473	16.6
93.06466	4.3
93.07023	29.0
95.04954	9.5
95.08597	34.9
97.06502	5.5
97.10165	3.1
99.04485	3.0
102.11879	3.5
105.07018	84.8
106.07371	5.6
107.08542	15.8
109.06514	17.5
109.10125	13.6
111.04426	5.4
111.08054	4.2
117.07007	13.5
119.08559	50.4
121.10158	18.4
123.08046	5.6
123.11717	5.1
125.06036	4.8
129.06981	4.7
131.08533	19.3
133.10117	49.4
135.08029	5.1
135.11649	17.5
135.71484	3.6
137.09618	4.9
139.11160	4.3
142.07793	6.0
143.08537	9.6
144.09294	3.2
145.10098	34.4
147.08035	5.1
147.11629	4.0
155.08464	3.5
157.10103	12.4
159.11678	62.2
161.09647	3.9
161.13242	100.0
163.11169	8.0
169.10139	6.0
175.11215	5.7
175.14766	6.0
179.10788	5.4
179.14285	62.6
185.13293	15.9
193.47852	3.4
196.98395	4.2
203.14279	79.2
211.07709	4.3
221.11687	4.7
221.15324	69.6
239.08968	16.1
239.16228	13.5
239.18083	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00280	1.6
53.03937	5.7
55.01861	6.3
55.05507	14.9
56.96547	1.9
57.03439	7.1
57.07063	6.4
59.04992	7.0
65.03918	1.8
67.05497	21.6
68.99793	1.6
69.03426	15.6
69.07063	13.9
69.57473	3.6
69.57894	7.6
71.04993	24.2
73.06544	1.9
79.05489	32.4
81.03391	2.9
81.07051	100.0
83.04984	11.0
83.08603	5.4
85.02884	2.2
85.06541	8.0
86.09674	1.8
91.05479	19.6
93.07040	28.1
95.04962	14.3
95.08605	22.3
97.02872	1.9
97.06528	10.2
97.10152	3.9
98.97556	1.5
99.04437	3.1
99.08092	45.5
103.05483	3.3
105.07023	40.4
105.07693	2.8
107.04943	4.6
107.08578	31.8
109.02831	2.4
109.06516	25.0
109.09384	1.6
109.10145	32.9
111.08075	5.4
115.05441	4.9
116.98621	1.5
117.07012	7.2
118.06544	1.7
119.04971	1.8
119.08576	16.0
120.08061	2.6
121.06496	4.9
121.10140	22.5
123.04395	2.6
123.08067	8.1
123.11689	9.6
125.05913	1.6
125.09640	8.6
127.07542	19.5
127.11189	24.3
128.06219	1.4
129.07021	3.5
130.07764	1.9
131.04929	2.3
131.08591	11.3
133.06427	2.1
133.10127	46.3
135.04453	2.3
135.08037	6.4
135.11658	10.5
137.05949	5.6
137.09589	5.2
137.13268	1.8
139.03880	6.3
139.07538	2.4
139.11156	5.6
143.10674	4.6
145.06509	2.4
145.10129	16.9
147.11696	12.2
149.05974	5.9
149.09619	5.6
149.13268	8.0
151.03868	9.5
151.07553	2.1
151.11171	42.0
153.05400	3.4
155.10608	6.9
157.06519	3.4
158.99641	1.6
159.08099	2.4
159.11703	12.1
161.05971	2.1
161.09593	4.3
161.13258	7.6
163.03941	2.3
163.07509	7.8
163.11192	5.2
163.14908	2.3
165.05449	3.6
165.12724	3.5
169.12215	4.2
173.05919	4.2
173.13260	6.6
175.07521	2.9
176.14322	3.6
177.05457	5.8
177.09094	2.0
177.12733	6.2
177.16397	3.7
179.06870	1.7
179.14264	1.4
181.04973	2.0
191.06996	11.9
191.10730	3.2
191.14355	3.9
191.17905	2.9
193.04953	2.2
193.08601	7.0
201.09160	2.1
201.12793	3.2
201.16402	10.3
205.08720	1.6
219.06630	7.0
219.10162	11.6
219.13823	12.1
219.17386	12.1
237.03818	1.9
237.07474	14.7
237.11035	8.0
237.14790	8.8
237.18591	16.3
237.22104	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	237.1846
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03939	1.3
55.01857	0.9
55.05512	9.8
56.14106	0.9
57.07048	3.9
67.05499	7.3
69.03415	2.3
69.07062	16.7
70.70151	1.5
70.70468	1.6
71.04996	5.2
79.05466	4.2
81.06654	1.3
81.07047	14.0
83.04981	1.2
83.08239	1.2
83.08620	12.5
85.06517	2.8
90.40184	1.1
91.05454	4.7
93.07037	14.9
95.04910	1.3
95.08598	22.6
97.06496	1.6
97.10168	6.2
99.04434	1.5
99.08073	2.6
105.07020	9.7
106.77544	1.1
107.08585	21.0
109.06478	1.5
109.10149	24.0
111.08056	11.1
119.08588	7.9
121.06517	1.4
121.10126	18.5
123.08045	4.0
123.11742	5.5
125.09598	2.4
127.11160	3.8
131.08528	1.5
133.10130	5.3
134.03947	1.0
135.11678	9.9
137.09598	1.3
145.10089	6.9
147.11655	6.1
149.09534	2.1
149.13194	1.7
151.11134	5.9
153.12708	2.1
159.11697	9.1
161.13246	6.9
163.11163	6.9
163.14793	3.8
165.12727	1.3
167.10663	3.6
167.14279	1.5
173.13313	1.5
175.14832	2.6
177.12691	2.6
177.16368	4.5
179.14313	9.5
181.12239	5.3
191.14278	6.1
191.17947	9.2
201.16345	12.4
218.83488	1.0
219.17412	20.6
237.18472	100.0
238.18753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Carissone
Peak:m/z	Relative Intensity
55.01855	1.2
55.05505	8.4
57.07054	2.0
59.04988	2.2
60.66247	1.2
67.05512	5.8
69.03422	2.2
69.07063	11.4
70.74445	2.0
71.04605	1.5
71.04980	25.9
79.05478	4.0
81.07043	19.1
83.04957	7.3
83.08613	6.1
85.06527	5.2
86.52087	1.0
87.68291	1.3
91.05452	2.8
93.06488	1.5
93.07034	17.8
95.04959	2.5
95.08591	24.7
97.06520	5.9
97.10157	1.6
99.04451	13.1
101.06035	2.6
105.07034	14.1
107.08583	13.7
109.06505	5.0
109.10139	14.6
111.08080	6.7
119.08562	17.8
121.09333	2.1
121.10130	23.8
123.08051	9.3
123.11698	8.6
125.09596	1.4
131.08533	2.7
133.10106	7.6
133.10959	1.1
135.11642	6.2
137.09518	1.8
137.13223	3.6
139.11179	1.3
145.10112	8.9
149.09595	2.1
149.13274	3.6
151.11159	27.7
151.14799	2.6
159.11690	12.3
161.13232	23.2
163.11139	3.6
167.10661	3.9
167.14296	15.3
175.14766	2.4
177.16354	3.8
179.14285	100.0
180.14674	2.0
181.12238	2.7
187.35995	1.1
191.17839	2.3
201.16359	12.5
206.68616	1.2
219.17418	9.2
237.18466	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	237.1846
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
51.02348	0.9
53.03921	1.2
55.05503	22.8
57.03427	1.0
57.07068	1.6
61.02894	1.0
67.05504	10.3
68.09097	0.9
69.03411	1.7
69.07059	13.4
71.04971	2.3
79.05475	10.7
81.07052	23.5
83.04951	1.4
83.08620	8.7
85.06521	1.6
91.05473	6.1
93.06492	1.4
93.07036	21.0
95.04963	1.9
95.08603	14.4
97.10141	4.3
98.20693	1.4
102.69562	1.0
105.07017	10.1
107.07883	1.6
107.08583	29.2
109.06503	8.3
109.10137	13.7
111.08060	7.3
117.06993	4.1
119.08566	10.4
121.06464	1.7
121.10133	19.0
123.08064	29.8
123.11626	1.6
125.09611	1.6
127.07536	9.5
129.06981	1.4
130.07828	1.2
131.08548	10.8
133.10110	9.3
135.08052	10.4
135.11674	7.9
137.09601	22.3
144.09294	2.4
145.10104	26.3
146.10768	1.4
147.11658	7.0
149.09586	12.0
149.13275	2.8
151.11171	25.3
159.11673	27.3
160.12169	1.0
161.13222	6.7
163.11159	26.5
165.12822	6.2
173.13228	4.4
175.14807	4.4
177.12750	14.0
177.16377	12.2
186.14070	1.0
201.16365	44.7
201.31659	1.0
219.17422	100.0
220.17812	2.4
237.03944	1.4
237.18477	35.0
240.87749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.17976	0.6
53.03928	1.0
55.01854	1.5
55.05503	3.6
55.72507	0.6
57.07068	4.3
59.04987	1.9
67.05488	4.7
69.03424	1.3
69.07059	11.8
70.06589	0.5
70.54014	0.7
70.71526	1.2
71.04989	3.3
74.18411	0.6
74.60776	0.5
77.03888	0.6
78.39758	0.5
79.05486	5.6
81.03418	1.1
81.06593	0.8
81.07048	10.8
83.04968	6.4
83.08608	1.9
85.02885	7.8
85.06515	2.8
89.24371	0.6
91.05469	7.6
93.07030	14.0
95.04953	6.8
95.08597	6.3
97.06515	3.1
97.10196	0.6
99.04436	4.7
99.08067	0.8
103.05433	1.0
105.07022	8.7
107.04928	1.7
107.08573	8.7
109.06504	16.3
109.10136	3.6
111.04417	1.4
111.08069	4.0
116.06186	0.7
117.06985	4.2
119.08573	8.0
121.06496	10.2
121.10126	6.1
123.04405	0.8
123.08061	3.1
123.11641	1.1
125.05958	1.9
125.09631	1.1
128.06139	0.9
129.06978	2.1
131.04919	1.2
131.08546	8.0
133.06445	0.7
133.10109	5.3
134.10406	0.6
135.08044	11.3
135.11655	4.6
137.05977	9.2
137.09595	1.7
138.06757	0.7
139.07510	5.5
143.08513	2.0
144.09349	4.3
145.06516	1.2
145.10097	2.8
146.06001	0.6
147.08052	1.2
147.11667	1.5
149.05978	1.5
149.09583	1.8
149.13271	2.8
151.07533	4.1
151.11111	0.7
153.09064	2.3
157.10117	2.1
159.08018	1.1
159.11681	27.6
161.09604	1.7
161.13261	1.8
163.03842	0.8
163.07516	12.9
163.11168	1.7
163.14847	0.8
164.08299	1.0
169.04959	1.3
173.13232	3.3
175.11174	1.2
177.05527	1.2
177.09128	0.9
177.12706	7.3
181.04895	3.0
181.08575	13.9
189.12674	0.7
191.07019	1.2
191.10616	0.9
191.14270	3.1
191.17958	0.8
193.08322	1.3
195.13744	1.6
201.12685	1.7
201.16353	1.3
219.06537	2.1
219.10191	1.6
219.13760	9.1
219.17387	2.3
237.03867	1.6
237.07547	2.3
237.14827	100.0
237.18619	2.6
237.22118	2.6
238.15240	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	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.38545	2.1
55.05506	17.6
57.07067	14.1
65.03909	2.9
66.86429	2.0
67.05501	41.9
69.03398	4.9
69.07054	22.4
69.87553	5.5
69.87968	7.0
71.04977	28.2
71.08614	3.7
73.06536	2.8
78.63560	2.3
79.05476	24.8
81.07047	74.6
83.04969	9.2
83.08595	10.4
89.06007	3.8
91.05485	16.7
93.07037	33.3
94.81393	2.2
95.04982	6.1
95.08595	53.2
97.06516	7.4
97.10155	3.0
99.04404	2.2
99.08072	4.7
101.06033	2.0
105.07022	42.4
107.08569	33.6
109.02846	2.5
109.06513	6.1
109.10139	29.7
111.04432	8.3
111.08036	4.6
117.06989	5.8
119.08605	11.9
121.06496	4.2
121.10131	36.1
121.52251	2.0
123.08073	4.1
123.11703	17.6
125.05958	4.3
125.09613	4.3
130.50264	2.1
131.08569	6.9
133.10115	100.0
135.04375	2.9
135.08041	4.9
135.11667	23.4
137.09573	7.0
139.11176	5.8
145.10115	14.3
147.11719	11.3
149.05940	3.0
149.09622	4.6
149.13239	10.0
151.11163	13.2
153.09084	3.1
159.11670	19.6
161.13252	6.0
163.11205	5.2
173.13197	3.5
176.28111	2.1
177.12743	4.2
177.16341	4.2
179.14307	7.5
181.04893	2.8
181.12289	6.0
191.10603	2.7
191.17926	11.2
193.10089	3.4
195.11739	2.6
201.16341	11.3
209.11731	6.4
219.06485	2.3
219.17412	40.5
237.07492	4.1
237.12894	3.3
237.14702	6.6
237.16574	4.3
237.18489	69.0
237.22150	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	237.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05495	1.0
56.05018	0.9
56.96562	8.8
57.03417	0.6
57.07060	0.7
60.04511	0.4
60.05627	0.3
60.56662	0.2
60.95843	1.1
61.02903	0.4
67.05482	0.9
68.05060	0.2
68.16383	0.2
69.03413	1.1
69.07055	0.8
69.85620	1.0
69.86035	0.4
70.06593	2.8
70.98112	0.2
71.04974	0.5
71.12768	0.2
72.08143	1.8
73.02894	1.0
74.02042	0.4
74.02435	6.2
74.06071	0.6
74.97598	0.3
77.03912	0.3
79.05481	0.6
81.03398	0.6
81.07041	1.0
83.04970	0.9
83.08617	0.4
84.04499	1.0
84.08141	2.9
84.96014	0.6
85.02886	1.9
85.03996	1.2
86.09698	1.6
88.03962	0.3
89.03920	0.4
91.05488	1.3
93.03403	0.2
93.07025	0.8
94.06547	0.4
95.04945	0.6
95.08614	0.6
97.02882	1.3
98.97571	2.8
102.96863	0.9
103.05472	0.5
104.98429	0.2
105.03402	0.4
107.04935	1.7
107.08588	0.7
109.02875	0.7
109.10179	0.5
110.03654	0.3
110.07159	0.9
110.97553	0.7
111.04448	0.3
116.00164	0.3
116.07135	0.2
116.98615	2.4
117.03385	0.3
117.05740	0.2
118.03458	0.3
118.06551	1.8
119.01909	0.8
119.04957	0.3
119.08601	0.3
120.08089	2.4
120.97884	0.5
121.10150	0.4
123.04426	0.7
127.03948	0.5
128.04953	3.6
128.98616	1.0
129.10258	1.2
130.06532	0.9
130.08597	0.3
131.00168	0.3
131.04919	0.3
131.08542	0.3
132.04440	1.0
134.06108	0.3
134.99635	1.7
135.04385	0.8
136.07576	0.3
136.93031	0.3
137.05949	0.3
138.98914	0.7
139.03885	0.5
140.00156	0.4
143.00171	0.8
145.02814	0.4
146.05997	100.0
146.99663	1.2
147.03261	0.8
147.04404	0.5
147.06367	1.2
148.03972	1.8
149.01181	0.7
150.05641	0.3
150.98987	0.3
153.00684	0.3
154.94241	0.4
155.04591	0.3
155.54832	0.3
157.07727	0.3
158.05975	1.3
158.99696	0.6
161.01227	1.0
161.02623	0.2
163.03889	3.1
165.00664	0.6
167.02078	0.4
170.04903	0.4
170.99680	0.4
172.95250	1.5
173.02702	0.3
173.07098	0.9
174.03630	0.9
174.05544	1.0
175.08704	0.3
175.11848	0.4
177.00731	0.9
177.05495	0.4
185.02950	0.3
186.99173	0.3
188.05934	1.9
189.00731	0.7
190.96362	1.6
190.98689	0.4
191.02240	0.6
191.03935	0.2
191.06941	0.2
191.08206	2.3
192.10136	0.3
193.29791	0.3
195.05148	0.3
201.00732	0.5
206.06964	0.4
209.03191	0.3
211.01082	0.4
213.00737	0.9
214.03784	1.1
219.01645	0.6
219.07875	1.5
231.01788	0.7
232.04895	2.8
237.02805	0.9
237.08841	3.4
237.15034	0.3
237.18387	0.2
237.22057	1.3
249.02777	0.6
255.01587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	0.5
70.06602	0.7
70.91534	1.2
74.02432	3.4
75.03214	1.0
80.05000	0.6
81.07043	0.8
85.43997	0.4
91.05466	1.6
92.05018	0.6
94.06547	2.6
95.08601	0.5
98.02299	0.5
103.05531	0.5
104.04975	0.9
108.04449	0.5
110.06025	1.3
118.06536	6.3
119.07352	0.5
120.04454	2.3
120.08099	9.0
122.05988	0.7
128.04939	5.7
130.06512	10.9
131.04915	0.7
131.07256	0.8
132.04454	1.7
133.05214	1.4
136.07564	4.4
145.07578	1.3
146.05992	100.0
147.06372	2.0
148.03920	12.7
150.05481	1.8
156.04391	1.0
157.07584	9.1
158.05997	1.0
159.09154	1.8
162.05479	0.9
163.05995	0.5
164.07043	1.6
166.08630	6.7
173.07089	3.9
174.05492	12.0
174.07738	0.6
175.08641	0.6
176.06995	0.5
178.04962	1.3
185.07098	0.6
191.08142	15.9
192.06639	2.5
202.04959	2.0
203.08105	5.8
204.08746	0.6
219.07642	1.4
220.06064	3.9
220.08220	1.0
225.69580	0.4
237.08694	8.1
237.22182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Confertifoline
Peak:m/z	Relative Intensity
50.48929	0.4
52.19418	0.4
53.03925	0.5
55.01852	0.4
55.05501	5.1
56.09493	0.4
57.07072	6.6
59.04959	0.7
65.03923	1.5
67.05498	24.5
69.03407	1.1
69.07059	10.2
69.44286	3.6
71.04965	0.8
79.05483	10.9
81.07047	22.7
83.04955	1.2
83.08601	4.3
85.06519	1.3
91.05470	7.2
93.03376	1.4
93.06490	0.9
93.07034	13.1
95.04952	1.9
95.08592	22.0
97.06505	1.1
97.10143	1.6
98.21559	0.4
99.08097	0.9
100.99790	0.4
105.04498	0.6
105.07018	14.4
107.04939	1.3
107.08577	10.7
109.06477	1.5
109.10139	10.8
111.04428	9.4
111.08068	1.5
111.11707	1.1
117.06958	0.7
119.04874	0.4
119.08573	7.3
121.06493	0.5
121.10123	12.3
123.04388	1.2
123.08042	1.4
123.11691	3.5
125.05971	4.0
125.13293	1.0
128.06093	0.5
129.06923	0.6
131.08537	1.8
133.06467	1.9
133.10117	20.5
135.08000	0.9
135.11679	9.4
137.05974	1.9
137.09564	0.9
137.13200	0.6
139.07521	3.1
143.08528	1.1
145.10121	1.2
147.08008	1.2
147.11670	5.1
149.09656	0.9
149.13272	2.2
151.07530	7.7
151.11121	0.4
153.09097	1.4
157.10152	1.1
159.11638	1.3
161.09596	6.4
161.13206	3.0
165.09111	1.5
167.10565	0.5
175.11133	1.5
175.14761	1.2
179.10632	10.5
189.12656	0.7
189.16359	9.7
192.11414	0.6
193.12177	1.3
199.14789	1.6
207.17308	0.5
208.83110	0.4
217.15863	6.8
217.19476	1.6
219.54289	0.4
235.16898	100.0
235.20294	9.0
236.17241	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	235.1689
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
54.49632	1.2
55.05515	5.5
57.07067	11.2
60.28371	1.1
67.05504	6.8
69.03416	4.1
69.07072	6.0
69.40298	2.2
69.40704	8.3
71.04962	3.6
72.98360	1.0
79.05470	7.4
81.07051	14.7
83.04957	2.3
83.08600	1.8
85.06535	3.2
91.05470	7.0
93.07031	18.3
95.04951	4.2
95.08600	16.5
97.06510	2.9
99.04417	2.3
105.07023	16.4
107.04993	1.6
107.08573	18.7
109.06522	7.0
109.10158	12.9
111.08076	1.7
117.06972	1.6
119.08569	30.3
121.06490	3.9
121.10131	9.3
123.04348	1.2
123.08067	7.7
123.11694	5.4
125.05955	4.5
125.09625	1.5
129.06990	2.1
131.08527	5.3
133.10126	19.3
135.08064	3.7
135.11693	10.3
137.09595	7.3
140.71394	1.2
142.07748	2.0
143.08566	4.3
144.09377	1.8
145.10092	3.5
147.08041	2.5
147.11618	6.7
149.09595	3.2
149.13242	5.0
151.07521	2.1
151.11189	1.2
153.04536	1.4
153.12764	1.7
156.09271	1.7
157.10109	5.2
159.11665	10.0
161.09604	12.3
161.13258	2.7
171.11678	1.6
173.13290	4.8
174.13960	1.3
175.11198	7.5
175.14815	27.8
177.12721	8.7
179.03369	5.1
179.10674	9.9
181.91472	1.3
189.12808	1.3
189.16368	9.5
191.14401	1.5
193.15862	16.3
197.04387	1.4
199.14830	6.0
207.17415	1.9
217.15871	43.3
227.35397	1.2
235.09668	2.7
235.16905	100.0
236.17397	1.7
257.58124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Sugikurojinol A
Peak:m/z	Relative Intensity
51.73849	1.3
53.03935	1.9
55.05499	9.8
57.07061	6.9
63.73500	1.2
67.05498	13.0
69.03402	3.1
69.07065	9.4
69.73886	8.2
76.69207	1.4
79.05481	15.9
81.07044	39.2
83.04958	3.5
83.08598	2.7
85.06519	1.6
91.05468	17.2
93.06485	2.2
93.07031	24.5
95.04955	4.2
95.08595	26.2
96.70782	1.3
97.06519	1.9
97.45177	1.2
99.08241	1.2
103.05500	1.4
105.07018	36.7
107.08575	58.2
109.06501	13.8
109.10136	12.2
111.08081	5.7
113.05975	2.1
115.05404	2.6
117.07022	4.1
119.08566	35.7
121.06484	4.5
121.10131	11.8
123.08068	11.1
123.11684	14.7
125.09583	1.8
127.07539	4.6
128.06226	2.3
129.06979	3.5
131.08549	6.2
131.60522	1.2
133.06454	2.1
133.10106	50.9
135.08032	8.3
135.11641	7.1
137.09593	2.4
142.07713	3.1
143.08565	6.8
145.10139	7.1
146.07222	1.6
147.08029	15.1
147.11644	13.4
149.09567	3.1
151.07549	1.7
157.10120	11.1
159.11664	8.0
161.09596	100.0
161.13226	4.6
162.10313	4.0
163.11128	8.1
163.14780	3.3
171.11636	4.5
173.13242	5.8
175.11172	13.3
175.14793	14.0
177.12659	2.2
179.10690	4.7
189.12724	4.0
189.16347	16.0
191.14299	5.1
199.14780	8.0
217.15843	30.8
235.09584	2.0
235.16902	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
71.05484	0.5
71.05812	0.6
74.02435	3.5
75.03219	0.8
80.05003	0.8
91.05454	1.3
92.04989	0.4
94.06530	1.9
99.00845	0.7
103.05471	0.3
104.04977	0.5
108.04482	0.6
110.06038	1.7
118.06538	6.8
119.04977	0.4
120.04471	2.0
120.08100	1.2
122.06039	0.8
128.04945	3.9
130.06517	7.7
131.07285	0.9
132.04424	1.5
133.05194	1.7
136.07578	3.6
145.07594	0.9
146.05997	100.0
147.06378	1.7
148.03923	13.1
149.06068	0.4
150.05499	1.2
157.07591	8.5
158.06012	0.7
159.09184	1.2
163.05840	0.6
163.08684	1.1
164.07068	1.6
166.08586	0.8
173.07088	4.4
174.05495	12.6
174.07774	0.6
176.07056	0.8
178.04962	2.5
182.94487	0.4
191.08141	21.4
192.06541	2.4
202.04910	2.0
203.08134	8.4
204.08821	0.4
219.07628	0.8
220.06047	4.6
221.24376	0.4
237.08702	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	235.169
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
50.82817	1.0
55.01870	1.5
55.05511	8.9
57.03445	1.3
57.06831	1.5
57.07071	16.4
64.97766	1.1
67.05502	9.1
69.03411	4.5
69.07060	13.1
69.87693	5.7
71.04983	7.5
78.21936	1.1
79.05482	11.1
81.07051	26.8
83.04987	7.6
83.08616	6.3
85.02907	9.5
85.06552	8.1
91.05477	12.3
93.07031	28.8
95.04951	7.5
95.08596	25.5
97.06523	4.7
97.10146	1.5
98.21494	1.5
99.04427	3.3
99.08141	1.2
105.07019	33.7
107.04935	2.6
107.08582	33.3
109.06501	19.6
109.10137	15.3
111.04410	3.6
111.08078	5.7
113.05975	4.2
117.07018	4.2
119.08565	32.7
121.06516	5.9
121.10130	16.1
123.04414	6.1
123.08036	8.3
123.11708	6.7
125.05977	1.7
125.09560	3.4
127.07540	2.3
129.06969	2.4
131.08571	12.1
133.06435	2.2
133.10117	36.1
135.08015	5.5
135.11697	10.5
137.05974	19.9
137.09622	7.0
137.13188	1.5
142.07814	3.4
143.08553	4.5
144.09338	2.3
145.10104	5.7
147.08105	2.9
147.11676	17.9
149.09604	4.8
149.13222	12.7
150.34407	1.3
151.07512	2.2
151.11153	4.2
156.09354	1.9
157.10110	9.9
159.11688	15.8
161.09615	10.2
161.13246	4.7
163.35553	1.1
165.09105	5.4
165.12694	3.5
171.11671	2.0
171.88214	1.4
173.13277	7.6
175.11240	9.5
175.14825	25.6
177.12723	15.8
179.03400	16.3
179.10623	12.9
189.12700	1.5
189.16353	25.4
191.14288	4.0
193.12195	1.6
193.15811	5.2
197.04518	2.9
199.14772	9.5
207.17561	2.0
217.12567	1.3
217.15866	27.0
217.19180	1.8
235.09641	4.3
235.16901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
55.05497	13.9
57.07062	9.9
67.05502	13.4
69.03412	6.5
69.07060	20.3
70.77745	4.8
71.04977	13.4
71.99452	2.2
79.05501	14.3
81.07047	35.9
81.39905	2.1
83.04964	9.1
83.05462	2.1
83.08591	8.6
85.02884	2.8
85.06525	12.9
91.05480	15.7
93.06487	3.9
93.07038	57.7
93.07607	2.0
95.04952	8.5
95.08601	37.0
97.06516	5.7
97.10127	2.9
97.51942	2.4
99.08138	2.6
105.07013	40.5
107.04897	3.5
107.08587	45.6
108.40113	2.3
109.06516	34.3
109.10159	15.4
111.04412	4.7
111.08060	15.5
113.05968	4.2
119.08572	40.0
121.06480	18.5
121.10125	21.2
123.04408	8.5
123.08051	10.9
123.11685	12.3
125.06007	6.5
125.09608	5.4
129.06950	3.8
131.08560	15.4
133.10118	43.0
135.08034	8.8
135.11703	16.4
137.05959	40.5
137.09583	10.7
139.07530	39.8
142.07794	4.5
143.08542	6.5
143.31207	2.3
144.09309	3.4
145.10100	4.9
147.08035	4.3
147.11691	26.2
149.09572	5.2
149.13277	17.9
151.07526	6.8
151.11133	8.8
157.10100	11.5
159.11655	23.1
161.09599	9.3
161.13295	4.7
165.09073	4.6
165.12770	3.4
173.13226	10.4
175.11180	12.9
175.14807	34.3
177.12720	25.6
179.10666	8.7
189.16368	28.9
191.14294	4.8
193.12244	2.6
193.15790	12.4
199.14723	12.0
217.15855	34.3
221.49272	2.8
226.26944	2.4
235.16905	100.0
236.17336	4.5
239.96872	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03936	1.5
55.05490	3.0
57.07065	2.6
65.03922	1.5
67.03676	1.0
67.05494	10.6
68.51368	1.1
69.03423	1.1
69.07042	3.8
70.29829	0.9
71.04991	21.4
71.34496	1.5
76.63218	0.9
79.05478	12.3
79.29242	0.9
81.06602	1.4
81.07048	26.5
81.07520	1.5
85.06505	1.6
91.05472	8.2
93.07037	18.8
95.04923	2.8
95.07978	2.2
95.08594	30.4
97.06505	2.3
98.03690	1.1
103.84506	1.1
105.07018	14.8
105.37742	1.1
107.08582	25.0
108.09407	1.1
109.06503	11.8
109.10130	7.2
111.08094	8.5
112.08473	1.1
115.05514	1.0
117.06979	3.8
119.08567	15.9
119.87897	1.0
121.10114	7.1
123.07214	2.3
123.08061	36.7
123.08961	1.8
127.07546	7.0
128.06105	1.2
129.06989	3.7
131.08537	9.0
133.10109	14.3
135.08044	2.5
135.11670	4.4
137.09607	12.1
142.07747	5.6
143.08560	9.4
144.09319	3.1
145.10080	4.4
147.11676	11.5
151.11101	1.9
157.10117	31.0
159.11668	40.1
161.09589	5.3
165.12747	16.1
171.11649	3.2
173.13214	2.9
175.11188	14.9
175.14801	19.6
177.12729	14.0
179.10632	4.4
184.12482	2.8
189.16307	2.2
193.15843	8.4
199.14796	100.0
200.15211	3.2
217.15858	47.2
217.17976	2.4
235.16895	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
53.03936	1.8
55.05500	7.2
57.07077	7.7
59.04989	2.5
65.03915	1.7
67.05501	8.0
67.20231	1.3
69.03414	5.7
69.07056	11.0
70.46534	5.3
71.04978	2.9
79.05486	7.5
81.06599	1.6
81.07050	20.1
83.08613	4.4
85.06534	3.8
91.05461	12.0
93.07037	29.2
95.04996	2.1
95.08064	2.0
95.08602	24.3
97.06499	3.9
105.07024	22.4
107.07882	1.8
107.08582	25.8
109.06519	16.7
109.10139	11.3
111.08053	4.1
117.06981	2.8
119.08566	40.2
121.06499	8.3
121.10111	10.3
123.08086	8.3
123.11699	8.2
125.05944	3.1
125.09595	2.2
129.06966	2.4
131.08530	5.7
133.10126	30.1
135.08029	4.5
135.11664	15.5
137.05928	1.3
137.09598	18.1
142.07771	3.0
143.08539	5.6
144.09273	1.8
145.10088	7.1
147.08012	4.8
147.11684	8.8
149.09583	4.8
149.13214	7.7
151.07504	1.4
151.11166	3.2
151.14812	1.6
153.19547	1.5
157.10141	7.4
159.08072	1.5
159.11661	13.9
161.09599	17.3
161.13268	2.0
165.09230	1.8
165.12701	1.6
171.11743	3.5
173.13240	5.3
175.11157	10.9
175.14799	36.2
177.12691	9.0
179.03355	3.9
179.10634	5.6
189.16324	7.4
191.14278	2.4
193.14047	1.4
193.15855	28.0
199.14743	8.7
217.15858	45.5
218.16316	1.7
231.85786	1.3
235.16901	100.0
236.17259	1.9
241.10109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
57.03439	1.8
57.07066	1.0
62.76160	0.3
69.03459	0.3
69.07059	0.4
70.06597	0.3
71.52809	0.4
79.05502	1.5
81.07053	4.8
83.04974	0.3
84.08153	0.4
86.09686	0.7
87.10066	0.3
88.02202	0.3
91.05473	0.7
94.04057	1.4
95.08611	0.5
97.02892	0.6
99.08064	0.4
103.05482	0.5
105.07023	0.8
106.06585	0.3
106.07365	0.3
107.04931	0.3
107.08611	0.3
109.06449	0.3
119.03545	2.3
119.08573	0.5
120.08105	1.1
121.06492	0.3
131.04921	0.3
131.08543	0.4
132.08904	0.4
136.06174	100.0
137.04587	2.0
146.10506	0.5
148.06183	0.3
174.13464	0.3
176.11551	0.4
178.77048	0.3
179.07076	0.3
179.10663	0.4
188.07036	0.3
190.10912	1.5
206.05177	0.3
216.06677	0.4
216.12428	0.7
230.03020	0.3
234.13480	64.6
235.05914	0.4
235.09511	0.3
235.13615	0.6
235.16805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01851	5.4
55.05499	2.7
56.05024	1.5
56.96544	1.5
57.03423	1.6
57.06797	2.1
57.07071	34.9
60.04501	5.8
60.39584	1.5
61.01144	55.2
61.01454	3.0
67.05499	3.8
68.99767	2.8
69.07052	3.3
70.02958	1.8
70.06578	2.1
71.09789	3.4
72.04510	22.2
74.06068	1.6
78.03785	21.3
79.05473	3.0
81.03400	2.2
81.07042	7.6
84.08131	3.3
86.06064	9.6
86.09689	3.7
87.00826	29.8
90.05531	5.6
91.05437	7.8
91.05959	2.9
93.07028	5.2
95.04955	3.7
95.08572	5.0
97.06530	2.5
98.97601	2.4
102.03766	23.6
103.02155	39.2
104.01621	2.4
105.00090	3.6
105.07020	9.8
107.04945	2.3
107.08553	4.3
109.02867	5.4
109.06490	4.1
109.10152	3.0
110.07121	2.2
114.03785	13.5
114.05521	65.3
115.05444	2.9
115.08617	1.6
116.98566	1.5
117.06992	1.8
119.04943	3.6
119.08564	5.0
120.04795	61.7
121.06503	2.0
121.10148	2.6
123.04400	5.5
129.00063	11.9
129.06969	3.7
131.06395	8.1
131.08591	2.2
132.04753	10.2
133.06482	3.8
133.10118	4.0
134.99666	1.7
135.08012	1.9
135.11746	1.5
136.07545	2.0
137.05957	2.8
140.03442	2.9
143.08560	2.5
145.06491	2.4
146.02681	21.5
147.01096	31.1
147.04318	2.5
147.08057	1.7
147.11655	2.9
149.07422	46.6
149.09518	1.6
151.03876	4.2
157.10075	1.8
159.11647	2.3
161.05969	8.2
161.09599	5.1
161.13261	1.8
163.03886	5.8
163.07573	2.3
164.03752	20.6
165.05428	4.8
174.05870	5.8
175.03957	2.5
175.07565	5.1
175.11209	2.8
177.05392	2.0
177.12759	2.2
179.07098	2.1
179.10652	20.0
188.03780	1.8
189.05475	10.2
189.09064	2.5
189.12659	2.3
190.28011	1.5
191.08487	31.4
192.07649	2.0
193.04976	3.0
199.11484	3.8
200.03786	1.9
206.04797	1.9
207.06517	14.0
217.04688	2.7
217.06775	8.5
217.08453	2.5
217.12466	2.9
217.15833	3.6
217.19473	3.6
218.04753	4.4
235.05899	16.5
235.07567	15.1
235.09688	3.2
235.13254	5.0
235.16919	100.0
235.20587	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	233.1533
Annotation	Oculatol
Peak:m/z	Relative Intensity
55.01852	1.3
55.05501	4.8
57.03445	0.8
57.07054	2.5
57.09568	0.8
65.03928	1.0
67.05489	4.8
69.03418	4.1
69.03733	0.7
69.07061	6.3
69.31209	7.1
71.04977	2.5
76.23170	0.8
79.05489	12.8
81.06597	1.1
81.07050	17.4
83.04943	1.1
83.08595	1.0
85.06537	3.9
91.05468	11.7
93.07033	10.1
94.92262	0.8
95.04960	4.4
95.08599	7.8
97.06499	3.5
99.08070	1.4
103.05476	1.9
105.07018	21.9
107.04944	7.5
107.08578	28.8
107.09301	1.7
109.06512	8.2
109.10130	2.9
111.08048	3.3
114.41254	1.0
115.05456	1.9
117.07021	7.8
119.04939	4.8
119.08574	22.0
121.06494	5.3
121.10136	8.7
123.08064	5.0
125.05986	11.9
125.09586	1.1
127.07524	3.6
128.06178	1.1
128.29169	0.9
129.07007	3.4
130.07773	1.2
131.04861	0.9
131.08540	20.1
133.06442	2.8
133.10115	11.0
135.08043	11.8
135.11668	1.5
137.05960	2.3
137.09595	2.3
139.07498	2.9
141.06975	1.3
142.07770	2.6
143.08493	3.7
144.05670	0.8
144.09291	2.0
145.06432	3.7
145.10110	24.9
147.07999	3.6
147.11679	9.4
149.05919	1.1
149.09579	7.2
149.13234	2.1
151.07513	1.9
153.09062	1.2
155.08519	1.9
156.09320	2.9
157.10104	7.9
158.10851	2.8
159.08037	14.1
159.11659	8.4
160.08783	1.6
161.09610	2.6
161.13239	1.4
163.07523	3.1
163.11137	2.1
163.14796	1.5
165.09076	3.4
167.08549	1.2
169.10081	3.2
171.11646	5.4
172.12431	1.3
173.09615	8.4
173.13245	17.8
175.11162	18.6
177.05484	2.5
177.09065	10.3
182.10919	2.5
187.07510	1.1
187.11171	2.5
187.14798	19.7
189.12708	2.5
190.13481	3.3
191.10657	3.5
191.14301	17.3
197.13243	7.7
200.11850	0.9
205.06279	1.2
205.08441	1.6
205.15932	4.0
206.76335	0.8
215.10901	1.6
215.14299	31.2
219.02690	0.9
233.04420	1.0
233.07832	5.8
233.12021	4.3
233.15335	100.0
233.22885	1.8
234.15834	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.70709	0.7
52.95440	0.7
55.01862	1.0
55.05490	2.8
57.03407	1.1
57.07059	1.1
67.05505	3.9
67.78552	0.8
69.03418	1.4
69.07069	4.3
69.55827	3.0
69.56261	2.8
71.04978	1.7
79.05470	4.9
81.07044	9.0
83.04961	1.1
83.08598	1.0
85.06541	3.8
91.05473	8.8
93.07030	7.6
95.04945	2.1
95.08599	6.7
95.90945	0.8
97.06496	3.0
105.07024	17.9
107.04933	1.5
107.08584	36.4
109.06493	6.5
109.10148	2.0
111.08073	2.5
111.19955	0.8
112.18462	0.9
115.05429	1.9
116.06246	0.9
117.07006	4.8
119.04936	7.0
119.08569	19.1
121.06463	3.0
121.10133	10.0
123.08042	5.7
125.05983	13.2
127.07514	3.5
128.06175	1.1
129.06998	4.8
130.07767	1.8
131.08556	15.8
133.06448	2.7
133.10133	7.4
135.08049	11.6
137.05974	1.2
137.09612	2.3
139.07487	1.5
141.06943	1.1
142.07785	1.9
143.08556	2.9
144.09367	1.1
145.06441	2.3
145.10110	23.1
147.08046	2.1
147.11681	7.4
149.09608	3.7
149.13235	2.3
153.09079	1.1
155.08568	1.8
156.09306	2.7
157.10133	6.8
158.07201	1.1
158.10858	2.2
159.08029	14.5
159.11694	7.3
161.09573	2.2
161.13284	1.7
163.07553	1.5
163.11130	1.9
163.14754	0.9
165.09102	3.3
169.10107	1.7
171.11670	4.6
172.05199	2.0
172.12442	1.1
173.09657	5.1
173.13237	19.6
175.11174	7.6
177.09068	11.8
182.10918	1.6
187.07544	4.4
187.11174	0.8
187.14792	24.4
189.12733	2.3
189.16408	1.1
190.13475	1.3
191.10645	1.5
191.14288	12.0
197.13239	8.4
200.12009	1.6
205.15887	6.1
215.07048	7.0
215.11043	0.9
215.14307	33.8
233.08092	6.1
233.15344	100.0
234.15744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.02383	0.8
53.03955	0.9
55.01844	1.0
55.05496	3.1
57.03434	1.1
57.07071	1.2
63.02399	0.6
65.03918	1.3
67.05488	4.1
69.03420	3.5
69.07066	6.5
70.17770	0.7
71.04983	2.6
79.05488	5.9
81.06596	1.1
81.07051	18.3
83.04984	1.5
83.08588	1.0
85.06536	3.8
91.05471	12.6
93.07040	10.8
95.04957	3.3
95.08601	8.6
97.06522	3.5
101.96146	0.7
103.05476	1.5
105.03351	1.1
105.07029	22.1
107.04936	1.7
107.08586	34.3
108.12354	0.7
109.06522	7.7
109.10165	4.7
111.08074	2.3
113.06002	1.9
115.05450	2.4
116.06206	0.8
117.07014	5.1
119.04945	7.1
119.08566	18.3
121.06468	5.3
121.10122	8.8
121.84977	0.7
123.08051	5.9
125.05986	14.8
127.07528	3.0
128.06258	1.3
129.06984	2.8
130.07765	1.4
131.04871	1.0
131.08556	20.4
133.06453	2.9
133.10135	12.1
135.08058	11.0
135.11661	1.6
137.05978	1.2
137.09601	2.0
139.07530	1.0
141.07004	1.3
142.07765	2.7
143.08549	4.0
144.09325	1.3
145.06476	4.3
145.10118	23.2
147.08075	2.8
147.11676	11.0
149.09627	3.6
149.13246	3.1
151.07523	2.0
153.09061	1.6
155.08533	2.3
156.09338	1.9
157.10121	7.6
158.10905	2.1
159.08040	14.3
159.11659	7.8
161.09575	3.0
161.13220	2.3
163.07558	4.6
163.11180	2.4
163.14842	1.5
165.09123	3.6
167.08554	1.2
169.10115	2.1
171.11691	6.2
172.12425	1.5
173.09645	6.4
173.13264	20.8
175.11174	17.6
175.12427	0.5
177.09079	10.8
182.10910	2.2
187.07491	1.2
187.11230	1.8
187.14801	21.8
189.12740	2.6
189.16402	1.1
190.13510	4.0
191.06987	1.5
191.10672	3.2
191.14293	14.9
197.13245	10.3
200.12007	1.0
205.08556	0.9
205.12300	1.0
205.15895	4.2
215.07069	1.3
215.10921	1.4
215.14299	33.0
218.09427	0.9
229.40759	0.8
233.08058	3.8
233.11967	9.3
233.15347	100.0
233.19098	2.6
234.15710	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	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.01869	1.8
55.05504	3.0
57.07064	1.2
59.05000	1.2
67.05492	5.1
69.03414	2.9
69.07058	3.9
70.70329	3.8
71.04987	3.1
73.90332	1.4
79.05482	5.9
81.07047	13.1
81.97652	1.5
83.04979	2.3
83.08612	1.7
85.06541	1.7
91.05474	11.2
93.07051	11.2
95.04958	4.6
95.08595	9.0
97.06548	3.1
99.04486	3.0
105.04535	1.3
105.07018	25.3
107.04963	1.9
107.08590	11.7
109.06494	4.6
109.10149	3.0
117.07014	6.4
119.08574	27.1
121.06483	4.9
121.07304	1.3
121.10130	5.5
123.08067	3.9
123.11723	1.1
125.05921	1.4
127.07520	1.8
129.07021	2.6
130.07777	1.7
131.04927	1.4
131.08565	29.1
133.06482	2.2
133.10110	23.7
135.08015	7.3
135.11592	2.7
137.05949	2.8
141.06978	1.8
142.07736	4.5
143.08536	6.7
144.09355	2.7
145.06473	5.2
145.10118	25.5
147.08040	3.3
147.11671	26.9
149.05954	2.6
149.09631	5.9
151.11150	3.2
153.09076	2.0
155.08484	1.7
156.09296	3.0
157.10114	13.6
158.10918	9.1
159.08118	6.9
159.11691	7.2
159.62744	1.3
160.08818	2.7
161.09563	3.6
161.13184	1.3
163.07539	5.2
163.11185	3.0
164.08195	1.3
169.10036	2.2
171.11662	7.4
172.08757	1.8
172.12451	4.4
173.09621	13.9
173.13254	64.4
174.13750	1.5
175.11166	31.3
177.09129	6.6
182.10889	3.8
185.09645	3.3
187.11227	1.6
187.14812	42.7
189.12692	2.3
189.16319	3.0
191.10643	6.4
191.14261	12.4
197.13257	9.3
200.11952	3.7
205.12270	1.4
205.15869	3.6
215.14302	24.6
223.04620	1.5
233.08049	5.5
233.11630	3.7
233.15358	100.0
234.15665	2.4
254.88109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
52.20206	0.3
52.39214	0.3
53.03939	0.4
55.01873	0.6
55.05497	0.6
56.05030	1.8
56.96560	18.7
57.03425	1.0
60.04528	0.5
60.95847	1.3
61.01152	0.3
61.02911	1.1
69.03416	1.4
69.07063	3.7
69.80955	2.0
70.06579	1.8
70.98123	0.9
71.04977	0.3
72.08166	1.6
73.02912	1.3
74.06075	3.0
74.97593	0.4
79.05503	0.3
84.04506	1.6
84.08130	2.5
84.96031	2.0
85.02911	1.8
86.06069	0.5
86.09698	100.0
87.04453	0.3
87.10018	0.7
89.17393	0.3
91.05486	0.7
97.02898	1.7
98.97575	11.3
99.04424	0.4
100.99139	1.8
101.00888	1.7
101.95034	0.8
101.97184	0.4
102.05532	1.4
102.96847	1.4
104.07129	0.4
107.04951	0.5
109.02876	0.4
110.97545	1.8
112.99150	0.9
113.03491	0.5
114.47501	0.3
115.02439	0.6
116.98607	8.4
119.00185	1.3
119.01908	4.8
119.04911	0.3
119.96077	0.6
119.98228	0.6
120.02074	0.6
120.06576	5.4
120.97907	1.7
121.01660	1.5
125.07071	0.5
125.10650	0.3
127.03947	0.8
128.98599	4.5
129.10254	0.6
130.05031	1.4
131.00168	1.3
131.01886	0.6
132.10245	0.4
133.01730	0.6
133.03447	3.2
134.99652	4.9
135.03229	0.3
135.05109	0.5
136.05042	0.4
137.02982	1.3
137.04593	0.5
138.98962	1.0
140.04886	0.4
140.98607	0.3
143.00166	1.0
143.01895	1.5
144.98109	1.4
145.01675	1.9
145.03455	0.6
146.99629	3.9
147.03242	0.5
149.01218	0.9
149.02898	0.4
151.02660	0.5
151.04526	1.2
153.00723	0.8
158.01189	0.3
158.99634	1.4
159.05052	0.7
161.01221	1.3
161.02963	2.6
161.04347	0.5
162.99120	1.9
163.02795	2.4
163.04021	0.4
165.00687	2.4
165.04257	0.5
170.99731	0.5
172.97604	0.5
173.01241	1.1
173.02950	1.7
173.93842	0.3
175.02760	0.6
175.04518	0.5
177.00679	2.0
177.04128	0.4
178.05022	0.4
181.03862	0.4
183.01764	0.7
187.00305	2.2
187.02722	0.5
187.14497	0.3
189.00719	1.1
189.04301	0.6
190.95418	0.6
190.98628	2.3
191.02292	2.5
191.04051	3.7
191.05711	0.4
201.00766	1.1
205.01366	1.9
205.03627	0.3
205.10823	1.7
207.05348	0.4
208.96529	0.3
208.99670	4.4
209.03305	1.3
210.04654	0.8
214.03732	0.4
215.13860	2.1
218.98262	0.4
219.01830	1.1
227.00847	0.6
232.96468	0.8
232.99789	0.6
233.03014	0.7
233.05145	1.8
233.10457	1.7
233.14977	2.8
234.18254	0.3
237.02838	1.2
250.97447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.80667	0.4
55.05503	1.0
56.05032	18.3
56.96556	1.9
57.03432	3.3
58.06595	3.4
58.83635	0.3
59.03635	0.4
60.04537	0.4
69.03442	0.5
70.06590	1.1
71.51521	0.4
71.51996	0.4
72.08144	2.8
74.06072	100.0
75.04478	0.9
81.07044	0.9
84.04504	3.7
84.08138	1.0
85.02902	0.8
85.14326	0.4
86.09698	24.6
91.05482	0.7
93.07048	0.6
95.04948	0.4
97.02888	1.1
98.97575	0.9
101.07143	1.5
102.05582	0.4
103.05475	0.4
105.07059	0.5
107.04967	0.8
116.07079	0.8
116.98598	0.7
117.07023	0.5
119.01973	0.5
128.98634	0.4
131.08513	0.5
132.10194	15.9
134.08148	1.2
142.12277	0.8
143.11832	0.9
145.06485	0.6
145.10097	0.4
150.96907	0.5
163.03922	0.6
169.13396	1.7
187.07452	0.5
187.14406	9.4
190.98845	0.5
208.99805	0.5
215.13892	3.4
233.04459	0.6
233.08208	1.4
233.15016	6.7
233.17194	0.6
246.21558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61312	0.2
55.01862	0.5
55.05503	1.0
56.05028	1.6
56.96556	5.3
57.03430	1.3
58.06586	0.3
58.99582	0.2
58.99867	0.3
61.01147	0.4
61.02598	0.3
61.02915	3.5
67.05508	0.3
69.03416	1.7
69.07060	5.0
70.06582	1.4
70.98109	0.5
71.04980	0.4
71.51335	0.4
71.95276	0.2
72.07755	0.5
72.08147	7.0
72.08546	0.5
73.02901	0.8
74.06070	2.9
74.97617	0.2
76.02209	0.2
81.03413	0.3
82.05313	0.3
83.00787	0.3
83.04963	0.3
84.04488	1.4
84.08138	3.1
84.96018	0.9
85.02896	2.1
86.09695	100.0
87.04443	0.3
91.05473	0.7
95.01319	0.2
97.02858	1.4
98.97569	2.0
99.04453	0.5
101.00833	1.5
102.05529	1.7
104.01286	0.5
104.07096	0.4
106.00991	0.4
110.07162	0.6
110.97564	0.8
112.08723	0.3
113.02350	0.5
113.33176	0.2
115.02423	0.9
116.07089	0.4
116.98606	1.4
117.01931	0.2
117.03991	0.3
118.51400	0.5
119.01916	4.5
119.04932	0.5
119.14662	0.2
120.01975	0.3
120.06563	5.3
121.01638	0.7
121.03473	0.3
125.07083	0.3
127.00679	0.2
127.03953	0.3
128.98586	1.5
129.10217	1.1
130.04982	1.2
130.08646	0.5
131.00177	0.5
131.01881	0.7
132.00725	0.5
132.10220	0.3
133.01616	0.4
133.03456	3.9
134.99646	0.8
135.03070	0.2
135.05042	0.6
136.05032	0.5
136.07559	0.8
137.03017	1.2
137.06998	0.3
140.04991	0.7
140.98584	0.4
143.01877	0.6
144.06557	0.3
144.99846	0.4
145.01709	0.9
145.03470	0.8
146.99611	1.7
147.01373	0.3
148.02057	0.8
149.01178	0.3
149.02811	0.4
149.03798	0.4
150.10243	0.3
151.04533	1.2
152.04938	0.4
157.02498	0.5
157.03595	0.4
158.99661	0.8
159.04985	0.3
160.04796	0.4
161.01190	0.7
161.02924	2.0
161.05612	0.4
162.99150	0.3
163.02798	0.8
163.04520	0.4
165.00711	0.9
169.04405	0.2
171.01381	0.2
173.01471	0.4
173.02864	1.3
175.04512	0.5
177.00743	0.5
177.02321	0.2
177.11287	0.3
185.02939	0.3
187.00885	0.4
187.14525	0.3
189.00676	0.6
189.02443	0.7
189.06134	0.3
190.98642	0.7
191.02280	0.6
191.04025	2.9
201.00731	0.9
203.03989	0.4
205.01791	0.4
205.10849	2.5
208.99762	0.6
209.03270	0.3
214.05669	0.4
215.10475	0.2
215.13867	1.3
219.01761	0.7
221.05034	0.3
229.02138	0.2
233.05112	0.8
233.10106	1.6
233.15010	2.2
237.02795	0.5
242.40511	0.2
251.02466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0806
Annotation	Granulosin
Peak:m/z	Relative Intensity
53.03922	0.8
55.01843	1.9
55.05510	2.7
57.03429	0.7
58.24520	0.4
59.04984	0.7
65.03922	1.0
67.05495	4.7
68.45460	0.5
68.99744	1.6
69.03421	2.7
69.07026	1.8
69.24689	3.9
69.25093	0.9
71.04954	1.0
74.12429	0.4
76.20904	0.5
79.05490	5.0
81.03374	0.8
81.07047	6.4
83.04924	1.5
83.08592	0.8
85.02856	1.0
85.06504	0.6
89.03882	0.6
91.05473	10.6
92.99726	1.6
93.03422	0.7
93.07028	4.3
95.01289	1.7
95.04954	4.2
95.08599	3.5
97.02875	0.6
97.06472	1.1
98.20800	1.0
99.04423	0.6
103.05444	2.9
105.07024	10.6
107.04942	8.6
107.07992	0.5
107.08580	6.1
109.02834	0.9
109.06507	4.4
109.10089	1.9
111.04344	0.9
111.08005	0.7
115.05441	3.1
116.06174	1.0
117.07012	4.8
119.04887	2.5
119.08563	6.1
120.08104	0.5
121.02806	0.7
121.05819	0.5
121.06490	5.5
121.10075	1.8
123.04378	1.1
123.07992	1.9
125.02258	0.5
125.05978	2.5
128.06158	2.2
129.06995	3.0
130.07683	1.5
131.04839	2.0
131.08553	10.8
133.02802	0.8
133.06497	3.9
133.10138	3.5
135.04390	3.7
135.08035	6.0
135.11644	1.0
137.02333	0.8
137.05943	2.5
137.09607	2.5
141.06897	2.2
142.07707	1.9
143.08469	2.0
144.05638	1.4
144.09319	0.5
145.02765	0.8
145.06485	4.7
145.10117	9.9
147.04390	2.5
147.08034	2.4
147.11584	2.3
149.05891	2.2
149.09618	2.9
151.00250	1.0
151.03932	3.1
151.07448	2.3
151.11072	0.8
153.05351	2.3
153.06660	0.7
154.07739	0.6
155.05963	0.8
155.08553	2.6
156.09216	1.1
157.06425	1.1
157.10181	2.6
158.07153	0.8
158.10797	0.7
159.04318	1.5
159.08046	7.1
159.11717	4.2
160.05121	0.6
161.02324	0.6
161.05870	2.3
161.09558	1.2
162.06651	0.7
163.02600	0.9
163.03893	16.1
163.06175	1.2
163.07526	18.5
163.11098	2.2
165.05342	1.5
165.09042	0.6
169.01306	17.5
169.06371	0.9
169.09967	0.7
171.11617	1.4
172.05087	0.9
172.08644	1.0
173.02319	4.8
173.05959	2.7
173.09605	4.6
173.13225	4.2
174.06732	0.7
175.03821	1.4
175.07584	3.3
175.11154	4.5
176.04631	2.8
176.08130	0.7
177.05479	5.3
177.09093	5.1
177.12682	0.9
179.03383	23.6
179.06979	5.6
183.07938	1.3
187.07520	5.7
187.11095	2.6
187.14822	4.7
189.05354	1.5
189.08948	0.8
189.12675	1.4
190.06247	2.9
190.09744	0.6
191.03378	13.2
191.05173	1.1
191.07013	17.1
191.10619	5.2
191.14182	1.9
193.04854	1.0
197.05865	0.9
197.13142	1.4
200.04672	0.7
200.08228	0.8
201.08914	2.1
203.03264	1.5
203.06996	9.4
204.04167	3.7
205.04955	5.2
205.06760	1.0
205.08585	12.7
205.10452	1.0
205.12190	5.7
205.15726	1.6
215.07028	4.9
215.08978	0.4
215.10649	6.2
215.14255	6.6
218.05760	4.8
218.09315	4.9
233.07921	100.0
233.11566	77.0
233.15225	25.4
233.18974	1.7
234.08246	1.6
234.11870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06045	0.8
53.03944	4.6
55.01855	1.3
55.05507	36.4
56.03741	0.7
57.03421	2.3
57.07063	3.5
58.91306	0.7
59.04988	3.0
65.03926	1.2
67.05492	2.8
68.99792	4.0
69.03426	12.5
69.07081	0.9
70.06585	1.6
71.04984	7.6
71.08619	4.0
72.08147	5.6
79.05486	28.8
81.03413	3.0
81.07048	100.0
82.07408	1.0
83.01337	0.9
83.04974	11.8
83.08611	13.7
85.02895	3.1
85.06535	11.0
86.09708	1.6
86.25145	0.7
87.00821	35.7
87.04450	1.1
91.05473	3.3
93.07040	2.5
95.04980	1.5
95.08603	1.6
97.02870	1.7
99.04460	2.0
99.08092	8.3
101.06056	0.9
103.92735	0.7
105.01848	4.3
105.07024	4.0
107.08588	1.7
109.02825	1.1
109.06508	47.7
115.05472	1.4
117.07011	1.7
117.09144	3.4
119.04954	0.8
119.08576	2.4
120.08157	0.9
121.06483	1.3
127.03954	1.9
127.07549	48.4
128.06262	2.0
129.07005	3.9
130.06551	1.4
131.08588	2.9
132.10153	1.1
133.06502	1.2
135.07983	1.3
141.06903	1.2
142.07802	2.7
143.07425	0.9
143.08527	4.1
145.06599	1.2
145.08588	19.1
145.10120	2.8
146.06079	0.9
147.04326	1.9
147.08075	2.0
149.07394	0.9
155.08609	0.9
156.09341	1.1
157.06503	3.0
157.10101	3.6
158.09621	3.8
159.08090	1.6
159.69429	0.7
161.09645	2.5
165.06990	1.4
170.10945	1.8
171.08026	1.3
171.11691	3.0
173.09630	3.8
175.03984	0.9
175.07594	1.4
185.05971	1.6
185.09680	2.4
185.13297	3.5
188.07047	1.0
189.05388	0.8
189.09253	1.0
189.12776	1.8
201.05473	0.9
203.06979	1.4
203.14261	1.5
213.05574	2.0
213.09169	2.4
213.12718	6.9
214.08669	0.8
231.03014	1.2
231.06531	15.5
231.08629	3.7
231.10329	2.5
231.13765	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	233.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.9
55.01863	1.5
55.05503	2.0
55.10930	0.7
56.05023	2.7
56.96558	100.0
57.03432	2.0
57.07070	1.1
59.04997	0.9
60.04507	1.0
60.95835	1.2
61.02915	1.1
67.05486	1.3
69.03434	2.6
69.07055	0.9
70.06582	4.9
70.18304	2.7
70.98104	1.7
71.95260	3.2
72.08147	15.1
72.96040	1.3
73.02917	2.2
74.06084	5.8
74.97614	2.3
81.03421	2.7
81.07076	1.0
82.06577	0.9
83.04989	0.8
84.04507	3.1
84.08131	8.2
84.96015	5.0
85.02888	4.4
85.06528	0.8
86.09696	19.7
88.03986	5.1
90.94804	1.1
91.05489	2.4
91.42209	0.9
93.07040	1.1
95.04910	1.0
95.08591	0.9
97.02907	2.5
97.99218	0.9
98.97570	64.7
99.04426	1.0
99.09184	0.8
100.99128	15.8
100.99751	0.9
102.05522	0.7
102.97081	1.2
103.02449	1.6
104.07130	1.0
107.04964	3.0
110.07182	2.0
110.97578	3.4
112.07620	1.1
112.99165	2.1
115.00675	0.7
116.00208	0.8
116.98606	74.7
117.07062	0.7
118.08662	3.4
119.00162	12.8
119.01904	5.0
119.04932	1.5
119.72522	0.6
120.06614	0.9
121.01679	2.0
121.06517	0.8
125.05961	0.8
127.00678	2.5
127.03923	1.1
127.08714	0.9
128.98579	7.1
129.10236	2.6
130.06512	0.8
130.08661	0.9
131.00189	4.4
131.01894	1.0
131.04971	0.9
131.08575	1.0
132.10176	0.7
132.95830	1.8
133.01733	1.8
133.03491	2.4
133.06516	0.7
134.99641	66.8
135.03247	1.1
136.04980	0.7
136.07607	1.7
137.01233	2.8
137.02940	2.1
139.02725	0.9
139.03902	1.2
140.00220	2.8
143.00177	4.4
143.01895	1.4
143.03799	1.7
144.98140	2.2
145.01711	16.4
145.03494	1.3
146.06012	1.0
146.99625	12.7
147.03299	3.2
149.01204	6.6
149.52161	0.8
150.00745	1.0
150.96922	3.2
151.02824	1.7
151.04543	1.8
152.02257	0.9
152.07108	3.1
152.98773	0.8
153.00681	13.0
154.94226	0.7
157.46950	0.8
158.01228	4.2
158.99675	2.5
159.03326	0.8
161.01260	20.1
161.02914	3.2
161.04829	6.5
161.09639	0.9
162.96964	1.1
162.99162	5.6
163.02756	39.6
165.00691	17.9
165.04288	1.4
168.03329	0.8
168.95781	0.7
170.99649	0.7
172.97586	1.5
173.01283	2.2
173.02832	1.2
173.09309	0.8
174.99232	2.2
175.04567	1.1
177.00737	3.0
177.02229	1.1
179.02272	7.1
179.05869	2.6
181.00252	2.2
181.03790	8.2
183.01730	14.5
184.02794	1.5
186.04315	1.8
186.96878	1.5
186.99219	1.4
187.02820	1.6
187.04471	1.5
187.10799	3.8
189.00665	17.8
189.04376	1.1
190.95348	1.4
190.98634	8.6
191.00227	0.8
191.00551	1.1
191.02200	9.4
191.03677	1.2
191.05939	2.6
193.00172	5.5
194.00595	1.7
198.07683	1.6
201.00787	1.3
204.98009	1.1
205.03929	2.2
205.10849	2.6
207.01744	48.4
208.96523	0.8
208.99658	13.8
209.01364	1.0
209.03236	6.5
209.07010	1.8
214.03763	0.9
215.14076	1.0
219.01685	0.9
225.02670	5.1
227.00778	2.0
227.04410	1.5
230.03305	4.3
232.01309	0.9
232.96375	1.7
233.03336	2.2
233.05087	2.0
233.06906	1.5
233.10301	1.0
233.15358	2.3
233.18831	1.3
237.02861	1.2
250.97592	1.5
251.04396	2.1
251.08144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03933	0.9
55.01868	0.7
55.05503	10.3
56.96555	1.1
57.03430	16.7
57.03710	1.0
57.07070	1.4
59.04997	5.2
65.03936	1.8
67.05497	100.0
68.05837	0.8
69.03416	1.3
69.07043	2.6
70.06586	2.1
70.81718	1.5
71.04980	4.3
79.05474	3.0
81.03403	1.7
81.07043	15.3
83.04966	0.5
83.08621	6.2
85.06525	3.0
86.09692	0.7
87.04486	0.7
91.05470	7.9
93.07036	3.5
95.04942	1.4
95.08597	4.9
99.04444	1.4
105.07008	3.1
107.08607	3.0
109.02854	0.7
109.06516	1.3
109.10144	82.9
110.10484	1.2
111.08054	2.6
115.05457	0.8
117.07029	1.4
119.01943	0.7
119.08566	6.9
127.03901	3.4
127.47295	0.5
128.06230	2.2
129.06964	2.3
131.08549	2.3
137.09579	4.1
138.67369	0.5
141.06955	1.8
142.07747	2.1
142.08740	0.7
143.08542	5.4
144.09323	0.8
145.06444	1.8
145.10109	1.6
149.05991	0.6
153.06984	1.7
155.08542	2.5
155.10608	2.8
157.10051	1.9
159.08012	1.8
159.11703	1.6
167.08568	0.7
168.09390	5.0
168.91644	0.5
169.10109	1.0
171.08037	0.9
173.05956	1.6
173.09514	1.0
173.11739	23.6
173.13168	1.3
183.08099	0.9
183.11681	9.6
187.07526	1.6
187.11186	2.7
187.14769	0.7
196.08656	0.5
201.09038	0.7
201.12721	2.4
211.11159	2.8
229.04883	2.2
229.08681	3.9
229.12161	7.6
229.14308	22.1
229.23502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.5
55.60173	0.8
57.03166	1.1
57.03430	18.0
57.07063	1.5
59.05003	5.2
65.03925	1.7
67.05499	100.0
68.35583	0.8
69.07045	2.5
71.04974	3.1
79.05473	2.0
81.07050	12.7
83.08611	5.3
85.06526	2.6
91.05479	6.2
93.07030	4.5
95.08615	6.0
105.07019	1.8
107.08540	2.5
107.85069	0.9
109.10146	84.8
110.10485	1.0
111.08064	2.5
112.67281	0.9
117.07010	0.9
119.08588	7.1
128.06204	1.4
129.07027	0.9
131.08551	1.2
137.09596	4.1
143.08524	3.2
153.06924	1.0
155.08560	2.6
155.10663	4.2
157.10110	1.1
159.11652	1.7
168.09305	3.6
173.09515	1.1
173.11719	24.6
173.13203	1.8
182.24161	0.9
183.11728	6.5
187.11093	1.1
201.12697	1.9
211.11142	1.5
229.08748	1.3
229.12222	3.5
229.14253	24.3
229.16530	1.2
229.19336	1.3
247.13062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.4
57.03429	18.1
57.07059	1.7
59.04972	4.5
62.99022	1.0
65.03915	1.6
65.24952	1.1
67.05495	100.0
69.07044	2.1
71.04967	4.1
79.05476	2.4
80.61973	1.1
81.07043	14.5
83.08602	6.2
85.06514	1.5
91.05471	6.5
93.07005	3.5
95.04986	1.2
95.08607	5.9
105.06983	2.0
107.08555	2.0
109.10143	88.3
111.08034	3.7
117.06992	1.7
119.08566	6.8
119.75743	0.9
128.02576	1.2
128.06187	2.3
129.06989	1.5
131.08501	1.5
137.09586	4.0
141.06964	1.1
142.07678	1.0
143.08548	2.8
145.10126	1.1
153.06976	2.1
153.20427	1.0
155.08537	2.3
155.10637	4.2
157.10056	1.0
159.07993	1.0
159.11638	1.6
168.09315	4.2
173.05963	1.2
173.11710	25.7
173.13181	1.8
183.11649	7.3
185.89601	1.1
187.11200	1.4
201.12775	2.5
229.08502	1.5
229.12190	6.8
229.14322	21.2
229.23384	1.3
244.37219	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	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80343	1.1
52.06064	1.1
54.55021	1.1
55.05514	7.8
57.03434	19.3
59.04998	4.8
65.03904	1.4
67.05499	100.0
68.05822	1.4
69.07049	2.2
70.12877	3.4
70.13274	2.0
71.05000	2.7
77.81659	1.4
79.05475	1.6
81.07054	14.0
83.08612	8.5
85.06529	2.9
88.00516	1.3
91.05465	5.4
93.07034	3.8
95.08585	6.8
107.08571	1.6
109.10146	86.6
110.10496	1.5
111.08073	3.0
119.08566	5.7
137.09604	4.4
143.08549	2.3
145.10088	1.7
155.10678	3.6
173.11726	22.3
173.13211	2.4
183.11696	3.9
229.12148	3.0
229.14194	18.7
229.19514	1.4
229.23534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.08660	0.7
53.03946	1.6
55.01867	0.9
55.05500	8.3
56.96590	0.7
57.03428	4.5
57.07069	3.9
59.04992	3.5
63.15214	0.6
65.03927	1.1
67.05498	5.8
69.03425	4.7
69.07058	8.5
70.06584	1.7
70.92034	1.7
71.04597	1.6
71.04986	21.0
71.05377	1.3
73.02920	0.8
73.06547	3.0
75.04478	2.6
75.31926	0.7
79.05474	4.9
81.03416	1.2
81.07050	12.5
83.04965	3.8
83.08618	5.9
84.04504	1.6
85.06544	6.9
86.09705	5.9
91.05481	5.0
93.07036	13.4
93.27014	0.7
94.10511	0.6
95.04956	100.0
95.08598	9.9
96.05254	1.4
97.02892	0.7
97.06516	16.1
97.10167	4.8
99.04445	14.3
99.08083	22.7
100.11240	14.6
105.07030	6.1
107.05003	1.6
107.08583	13.7
108.08940	0.8
109.06509	14.5
109.10137	7.9
110.07128	0.8
111.04428	1.0
111.08053	4.2
112.63031	0.7
113.05969	1.2
113.09687	1.1
115.07584	4.7
117.06966	0.7
119.04927	0.7
119.08562	6.6
121.06501	1.3
121.10138	12.5
121.10954	1.4
123.04417	2.2
123.08037	2.6
123.11700	5.5
125.05955	0.9
125.08778	0.9
125.09618	11.2
127.07549	9.0
129.07028	1.0
129.10194	0.8
131.08530	3.2
133.10115	22.6
134.03603	0.9
135.08015	3.3
135.11656	3.2
137.05957	1.2
139.03882	1.1
139.11172	8.4
140.04727	1.6
143.08482	0.9
143.10692	6.2
145.10091	1.5
147.11674	5.4
149.05942	2.0
149.09608	1.6
149.13229	5.8
151.11139	2.9
153.09090	25.9
155.06987	1.3
163.07417	0.8
163.14848	4.4
165.12700	1.5
167.03378	0.9
167.07024	12.9
167.10617	1.7
167.14299	1.5
170.05737	0.9
171.10146	16.8
171.11568	0.6
172.29956	0.8
173.13252	9.3
177.05403	1.9
181.04959	1.8
181.08691	1.4
191.14301	7.3
195.06444	2.2
199.07478	0.9
209.08080	3.5
209.15196	13.6
227.06952	2.4
227.12653	1.4
227.16325	35.2
228.16530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.05511	9.4
57.03428	20.3
57.07061	1.8
59.04999	6.0
65.03933	1.5
67.05498	100.0
69.03419	1.2
69.07053	2.1
71.04974	3.4
71.52995	1.4
79.05482	4.1
81.07047	15.8
83.08616	7.1
85.06538	4.5
91.05478	6.2
93.07023	4.6
95.04993	1.5
95.08588	5.7
98.98431	2.4
105.07047	2.3
107.08580	2.2
109.10147	81.7
110.10506	1.6
111.08081	3.7
115.05469	1.2
115.90494	1.1
117.06979	2.0
119.08571	7.8
121.75003	1.2
128.06215	3.2
129.06993	2.0
131.08546	4.1
137.09592	3.7
141.06982	1.5
142.07768	3.1
143.08578	5.7
145.10069	2.2
153.06964	3.0
155.08525	4.9
155.10625	2.4
157.10138	3.3
159.08055	2.0
159.11708	3.2
168.09320	3.9
169.10208	1.1
171.11559	1.1
173.05936	1.7
173.11734	22.1
173.13176	2.9
183.08144	1.1
183.11639	15.5
187.07613	1.3
187.11201	1.7
201.12653	2.7
205.55524	1.2
211.11218	1.9
229.08577	2.3
229.12210	10.6
229.14337	22.0
229.19633	2.4
229.23560	1.8
247.13214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	1.6
55.05506	11.6
57.03424	4.2
57.07055	4.6
59.04981	4.6
65.03922	2.0
67.05498	6.5
67.76492	1.2
69.03406	4.6
69.07066	14.2
70.06345	5.8
71.04987	24.7
72.08187	1.5
73.02888	3.2
73.06543	1.9
79.05482	7.4
81.03436	2.4
81.07050	14.6
82.87717	1.2
83.04963	5.7
83.08601	6.9
84.08134	2.0
85.06547	7.0
86.09705	24.2
91.05464	7.5
93.07034	22.4
95.04958	100.0
95.08600	13.2
96.05273	2.4
97.02910	1.4
97.06525	16.9
97.10144	5.6
99.04443	14.9
99.08085	31.6
100.11247	25.7
103.05485	2.0
105.07036	10.6
107.04935	3.2
107.08578	21.5
109.06511	14.9
109.10152	9.6
111.08088	7.0
113.05968	2.7
113.09622	2.0
115.05408	1.5
115.07550	8.5
119.08562	5.3
121.06485	3.4
121.10143	16.6
123.04427	3.2
123.08035	2.6
123.11710	6.9
124.07538	1.6
125.05978	3.0
125.09588	8.7
127.07549	13.7
131.08527	5.4
133.10114	35.8
133.46036	1.4
135.04362	2.0
135.08011	6.5
135.11678	5.5
137.05948	2.1
137.09621	2.8
139.07625	1.4
139.11157	13.3
140.04649	2.1
143.10707	3.4
145.10115	3.2
147.11678	6.6
149.05957	2.5
149.09528	2.8
149.13261	11.0
151.11160	4.1
153.09100	23.0
155.06990	3.4
158.10745	1.9
163.14754	6.2
165.12822	2.4
167.06992	14.5
171.10132	14.9
173.13272	12.8
177.05458	3.5
179.06999	1.4
181.04985	7.5
181.06297	1.8
181.08560	2.3
184.05208	1.9
188.32614	1.4
191.14284	9.8
199.07494	1.9
209.08078	4.0
209.15152	11.7
227.07068	8.2
227.16278	38.4
227.19495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	1.1
55.01869	27.9
55.05508	5.3
55.08054	0.6
56.96562	0.7
57.03424	1.6
57.07074	3.9
57.51522	0.5
59.05000	0.7
60.55038	0.6
65.03926	1.2
67.05186	0.8
67.05507	11.4
69.03426	4.0
69.07066	20.7
70.06656	3.1
71.04993	7.5
73.02896	1.3
78.04699	0.6
78.87888	0.5
79.05485	11.1
81.03407	1.0
81.07049	21.9
83.04971	2.2
83.08624	2.4
85.06541	13.2
86.09694	6.3
91.05465	7.8
93.07038	14.9
95.04953	9.3
95.08603	25.1
97.05923	1.1
97.06523	20.0
97.10184	0.9
98.97548	0.8
99.04440	8.8
99.08099	4.1
100.11255	6.1
101.06001	0.7
103.05444	1.9
105.07025	13.9
107.04931	3.5
107.08586	34.5
109.06513	10.4
109.10133	3.4
111.04404	0.7
111.08090	2.9
111.11694	0.7
113.05978	3.8
113.09608	0.9
115.03902	0.8
117.06970	0.9
119.08551	4.1
121.06496	9.3
121.10140	9.5
123.04420	2.7
123.08067	14.4
123.11708	1.7
124.05231	0.7
125.05977	1.8
125.09611	1.9
127.07554	1.7
128.06259	0.7
130.07814	0.7
131.04933	0.9
131.08553	1.8
133.06451	1.5
133.10094	3.2
134.03633	0.6
135.08022	1.7
135.11665	6.0
137.05945	2.7
137.09619	0.8
139.07538	0.8
139.11186	2.9
140.04697	0.8
143.08534	1.2
145.10098	6.9
147.11676	1.9
149.05984	3.8
149.09567	3.8
149.13266	1.7
151.03920	0.8
151.07536	12.7
151.11172	1.2
153.09099	2.0
153.12697	1.0
157.08589	1.2
157.10043	0.7
159.04459	0.7
163.11171	17.1
165.12732	1.5
167.07033	22.2
167.10654	5.9
169.08591	100.0
170.08919	0.9
173.09598	1.3
173.13268	1.7
177.05458	6.1
181.04999	1.1
181.06427	0.9
181.08655	0.9
181.12218	10.2
190.02122	0.6
191.10660	6.8
191.14314	2.7
195.08174	0.7
209.08026	2.3
209.11687	4.6
209.15334	2.2
213.34776	0.6
227.07086	2.8
227.10689	1.3
227.12718	6.9
227.16441	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03930	4.6
53.62083	2.9
55.01838	10.7
55.05273	3.3
55.05501	42.2
56.96542	3.5
57.03399	4.2
58.96832	2.7
61.80306	2.7
65.03942	3.0
67.05499	27.9
69.03407	5.3
69.07064	20.2
70.12670	7.0
70.13051	6.2
71.04984	7.5
72.76165	2.8
73.02891	4.3
79.05482	36.7
81.03413	3.3
81.07052	43.0
83.04951	9.0
83.08598	18.0
86.09679	3.0
87.67931	2.9
91.05460	17.9
93.06503	5.1
93.07037	54.1
95.04948	13.3
95.08072	4.0
95.08599	53.5
97.02853	4.6
97.06516	6.5
97.10145	13.3
98.21428	4.8
98.97543	3.3
99.04401	7.7
100.11247	26.0
103.05418	4.2
105.07008	14.7
107.04961	17.4
107.08591	33.2
109.06474	7.3
109.10162	5.5
111.04410	4.4
117.06981	9.7
119.08541	12.5
121.06481	10.1
121.10096	13.2
123.04391	3.8
125.05933	5.3
125.09617	9.3
129.07005	3.8
133.10075	5.1
134.99622	3.2
135.08063	6.9
135.11684	63.9
137.05960	4.3
139.07561	4.3
140.04631	3.3
143.08473	7.5
145.06424	3.6
145.10109	32.3
149.05914	5.9
151.07526	3.4
156.09381	3.8
157.10117	3.9
162.10379	2.8
163.09885	4.8
163.11166	81.3
167.00233	3.1
167.07031	42.6
167.08458	4.7
167.10071	2.8
171.08041	3.7
171.11644	3.8
177.05368	9.8
181.04944	4.2
181.12215	17.6
185.09586	3.7
189.11186	4.4
195.02881	3.2
199.07504	3.7
199.11093	3.0
209.08049	5.0
209.11668	4.0
227.06953	13.3
227.10562	12.2
227.12708	100.0
227.17657	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	3.7
55.01859	5.5
55.05506	16.5
56.04992	1.7
56.96551	3.4
57.03423	4.2
57.07056	7.0
65.03931	6.9
67.05182	2.2
67.05506	29.9
68.99804	2.1
69.03414	6.1
69.07066	15.8
70.06570	5.5
70.88351	2.5
70.88689	4.3
71.04647	2.6
71.04993	26.3
73.02921	11.8
78.04726	1.9
79.05492	30.9
81.03387	4.0
81.07043	13.6
83.04967	11.4
83.08611	7.0
84.04466	2.8
84.08122	3.3
85.02885	3.1
85.06542	100.0
86.09699	37.9
91.05479	27.3
93.03361	2.5
93.07039	31.8
95.04980	16.8
95.08589	5.7
95.65814	1.8
97.02875	2.7
97.06511	9.1
97.10159	1.7
98.97571	2.1
99.04438	3.1
99.08091	9.6
100.11256	33.4
103.05457	2.9
105.07030	21.8
107.04958	16.6
107.08583	34.5
109.06512	10.7
109.10156	3.7
110.07158	4.4
111.04454	17.6
111.08057	4.6
116.07081	2.1
117.06988	7.8
119.08588	20.7
121.06507	16.1
121.10143	24.5
123.04450	10.6
123.08072	4.5
125.06002	8.9
125.09637	7.4
128.06230	2.7
129.07021	6.1
131.07597	3.7
131.08556	61.7
133.02864	1.9
133.06451	2.3
133.10098	3.4
135.04384	2.6
135.08018	3.9
135.11681	6.9
137.05937	5.8
137.09599	10.3
139.03862	6.8
139.07524	4.2
140.04662	16.2
145.06454	3.9
145.10110	29.1
147.08029	7.5
147.11639	2.1
149.05942	7.2
149.09615	66.2
151.03873	4.4
153.05409	6.1
153.09119	2.4
155.07043	22.8
155.08354	4.1
163.07535	6.1
163.11157	27.3
165.09068	9.8
167.07025	23.0
167.10681	36.3
172.84560	1.9
173.08131	2.5
173.09616	7.0
177.05452	5.2
181.04971	31.9
181.06516	4.2
181.12131	1.9
183.03088	6.0
185.07101	3.9
190.53926	1.7
191.10645	56.2
192.03651	2.1
195.06430	3.4
197.01164	4.9
199.07509	2.8
209.08176	13.1
209.11719	49.5
227.06985	6.4
227.09071	6.0
227.12637	16.9
227.14513	2.6
227.17473	7.1
227.19604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03917	2.6
54.25256	1.9
55.01859	10.1
55.05278	2.3
55.05508	29.0
57.03416	2.0
57.07059	2.1
65.03904	2.5
67.05503	25.8
69.03395	2.6
69.07064	15.9
69.78768	11.2
71.04971	3.7
73.02898	3.4
74.20424	1.9
79.05068	2.8
79.05484	37.9
80.31593	1.7
81.03419	4.1
81.07050	28.8
83.04957	7.1
83.08603	15.6
86.94588	2.0
87.47755	1.7
87.79189	1.7
91.05486	11.3
92.76745	1.6
93.06500	3.1
93.07037	46.9
95.04946	8.5
95.08601	53.1
97.02869	4.4
97.06505	6.0
97.10139	8.5
98.21494	3.4
99.04435	3.5
100.11219	6.5
105.07013	9.2
107.04932	11.9
107.08588	37.5
109.06464	2.6
109.10133	3.6
111.04400	3.8
111.08057	2.3
117.06982	14.6
119.08571	13.2
121.06526	10.5
121.10117	15.0
125.05975	4.5
125.09594	7.7
128.06219	2.3
129.06955	2.2
133.10089	4.3
135.08006	5.3
135.11678	52.0
139.07474	2.5
143.08539	4.1
145.10110	30.2
151.07437	2.4
157.10162	2.9
163.11169	85.0
163.12550	4.8
167.07008	4.3
177.05347	1.9
181.04814	2.1
181.12250	17.8
186.83501	1.8
189.11098	2.3
209.16464	3.1
227.06931	6.4
227.10757	4.2
227.12715	100.0
227.17613	5.0
227.74869	1.9
228.13080	2.3
233.10139	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03937	3.9
55.01868	3.0
55.05508	15.1
56.12705	1.1
56.96548	1.6
57.03428	1.3
65.03911	1.7
67.05489	3.0
69.03431	3.1
69.07064	11.7
70.06583	4.4
71.04979	2.5
71.52760	1.4
72.04508	2.1
72.08167	1.9
78.04693	4.5
79.05479	5.1
81.03400	1.3
81.07056	5.8
83.04958	1.8
83.08613	8.8
85.02898	2.0
85.06508	1.9
86.06064	1.4
86.09699	38.3
89.03908	1.4
91.05479	11.1
93.07041	7.6
95.04967	11.3
95.08614	2.3
97.02886	2.0
97.06509	3.9
97.10188	2.1
99.04453	1.9
99.08085	1.5
100.11246	69.5
103.05470	8.0
105.07033	1.8
106.04166	2.6
107.04945	9.4
107.08592	3.6
109.06503	4.2
109.10143	1.7
111.04440	2.1
111.07997	1.2
114.05537	2.0
119.04939	2.4
119.08559	2.6
121.02847	1.7
121.06491	15.2
121.10133	3.7
123.04419	11.2
123.05302	1.6
124.05173	2.9
125.02299	1.4
125.06011	2.4
125.09583	2.9
127.07537	1.9
128.06255	1.4
131.04910	8.7
134.03645	2.7
135.04442	2.7
137.05962	10.0
139.03845	2.4
139.07588	1.7
140.04680	5.6
148.05206	2.9
149.05984	17.5
151.03914	2.0
151.07538	1.8
152.04662	2.7
153.06999	1.2
153.09071	2.8
154.03122	1.4
155.07065	3.3
159.04364	3.3
163.03868	2.4
163.11137	1.6
165.05467	3.6
167.03329	2.5
167.07013	100.0
168.07410	1.7
176.04596	1.2
177.05457	25.7
178.06316	1.5
181.05003	7.9
181.08562	3.8
183.06496	1.5
191.06982	2.8
191.10580	1.5
194.05740	2.1
195.06494	3.0
199.07640	1.4
199.18108	2.3
209.04503	1.4
209.08055	11.8
209.13135	6.5
209.16547	9.2
219.99052	1.4
227.06992	4.9
227.09084	3.5
227.10997	1.7
227.17677	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01857	1.8
55.05502	4.7
55.07355	0.5
56.96562	7.9
57.03433	1.3
57.07061	0.7
59.04996	0.6
61.50940	0.6
65.03931	1.2
67.05502	1.6
69.03399	1.7
69.07061	3.7
70.06580	3.7
71.04959	0.9
71.51789	0.6
71.95257	0.7
72.08127	1.0
73.02902	1.5
74.06103	0.8
78.04706	3.3
79.05492	2.8
81.03406	1.0
81.07037	1.2
83.04948	0.8
83.08607	1.2
84.04500	3.6
84.08131	3.3
85.02888	2.2
86.09687	1.5
89.03887	2.2
91.05475	7.5
93.07034	3.5
94.04206	0.6
95.04942	4.6
95.06067	0.6
95.08592	0.6
95.58618	0.5
97.02896	2.2
97.06470	0.6
97.10144	1.5
98.97573	3.2
99.04391	0.5
100.11232	2.0
103.05453	6.6
105.07023	0.7
106.04167	2.0
107.04943	5.6
107.08563	1.0
109.02846	0.7
109.06512	1.0
110.07146	2.8
111.04391	1.2
115.91035	0.5
116.07074	3.5
116.98608	3.1
117.03318	1.3
119.01905	2.8
119.04904	2.0
120.02053	0.7
120.08119	0.7
121.02863	1.2
121.06494	11.7
122.03606	0.8
123.04420	7.8
124.05246	2.8
124.07602	0.6
125.05989	0.9
127.03906	0.7
128.02315	1.0
128.98553	0.7
131.01854	1.1
131.04909	6.6
133.02806	1.1
134.03624	2.1
134.99664	3.2
135.04430	3.9
135.08090	0.7
136.05217	0.9
136.07574	1.3
137.03055	0.7
137.05975	9.0
138.03094	0.7
139.03894	0.8
140.04692	2.8
143.00133	0.9
145.02708	0.7
146.03899	0.8
146.99615	1.3
147.04402	1.6
148.05168	1.2
149.05977	14.8
150.00726	0.6
151.03868	2.6
152.04659	2.3
153.05431	2.0
155.04631	0.6
155.06967	1.5
156.03304	4.6
156.07625	0.8
157.03305	0.6
158.99628	0.8
159.04413	3.5
161.01180	1.1
161.02899	0.9
161.04608	0.6
162.03131	0.7
163.03877	6.3
163.07552	1.1
165.05472	1.1
166.06218	1.1
167.07019	100.0
168.07477	3.8
171.90265	0.6
173.01291	0.6
173.02893	1.2
174.04367	10.0
176.04723	1.3
177.00717	1.6
177.05458	26.6
178.06009	1.0
181.04939	1.3
181.08574	1.9
185.02856	1.5
186.04393	8.5
191.06985	1.8
192.05405	3.1
194.05672	1.2
195.06430	1.1
203.02159	0.7
203.03998	1.0
204.05429	13.1
209.08025	8.2
219.01640	0.7
222.06462	0.7
227.06975	1.4
227.08884	1.0
227.10277	1.8
227.13934	0.7
228.05281	1.6
231.01744	1.5
237.02757	0.8
244.04294	1.5
245.05138	1.0
246.06555	1.0
249.02829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03930	1.5
55.01853	1.6
55.05236	0.5
55.05502	8.0
57.03421	1.7
57.07062	0.8
59.04982	0.8
65.03929	0.9
67.05501	2.9
69.03416	1.1
69.07056	3.5
70.06603	0.8
70.99093	1.0
71.04974	3.5
73.02898	0.6
75.04468	0.6
78.04700	3.0
79.05484	3.5
81.03404	1.2
81.07043	4.0
82.06550	1.3
83.04961	2.7
83.08607	4.3
84.08141	0.5
85.06522	1.9
86.09673	2.4
89.03919	1.0
91.05472	8.3
91.58081	1.1
93.03409	0.7
93.07027	6.7
95.04369	1.0
95.04958	14.2
95.08601	2.4
97.06529	3.1
97.10150	1.2
98.09695	0.6
99.04443	4.1
99.08068	2.8
100.07613	0.6
100.09418	1.2
100.11245	15.6
101.11560	0.6
103.05459	5.8
105.04524	0.8
105.07017	1.6
106.04147	1.8
107.04951	4.0
107.08578	3.8
109.02874	0.6
109.06488	2.6
109.10155	2.7
110.06034	1.2
111.04413	1.5
111.08066	1.1
113.05977	0.8
115.07523	0.7
117.03339	0.8
117.13837	0.6
119.04921	1.2
119.08559	1.2
120.05540	0.7
121.06493	11.9
121.10123	3.4
122.03628	1.2
123.04414	8.4
123.08054	1.4
123.11692	2.1
124.05242	2.8
125.09625	2.3
127.07520	1.4
128.06175	0.7
128.07047	0.9
131.04907	5.8
131.08467	0.6
132.59523	0.5
133.02852	0.8
133.10092	3.8
134.03595	1.8
135.04427	2.3
135.08006	1.0
135.11671	1.1
137.05968	8.6
137.09619	1.4
139.03877	0.5
139.11137	2.1
140.04654	3.0
141.11514	4.6
143.08557	0.7
143.10709	0.6
145.02823	1.2
147.04347	0.8
147.11642	1.0
148.05179	1.5
149.05968	14.1
149.09578	0.8
149.13261	1.4
151.03917	1.8
151.11212	1.3
152.04665	2.4
153.05391	1.0
153.09134	2.4
153.12712	1.1
154.12241	1.1
155.07031	2.2
159.01151	0.5
159.04384	3.1
159.05473	0.5
163.03880	1.3
163.07500	0.9
163.11171	0.7
163.14830	0.8
163.64320	1.8
165.05458	0.8
165.12737	0.6
166.06277	0.6
166.39642	0.5
167.07021	100.0
168.07382	1.4
171.10164	1.6
173.08031	0.6
173.13278	1.5
177.05458	24.2
178.06064	0.6
180.07784	0.7
181.04964	1.2
181.08594	1.8
182.15404	3.0
191.07034	1.3
191.14293	1.9
194.05762	1.1
195.06476	0.6
199.07491	0.6
199.18066	2.1
209.08104	7.1
209.15378	2.3
210.14926	1.0
213.17761	4.0
213.67889	0.7
227.07011	1.3
227.09039	1.6
227.16402	4.0
248.95230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	2.1
53.41153	0.7
55.01871	6.6
55.05503	5.2
56.96537	0.7
57.03418	1.2
59.04991	0.8
61.78751	0.8
64.95644	0.7
65.03931	7.5
66.25285	0.7
67.05495	3.9
69.03413	1.9
69.07053	3.3
69.99445	1.2
69.99847	2.4
70.06580	1.1
71.04977	1.8
73.02908	37.1
79.05466	3.0
81.07035	2.5
82.04189	3.4
82.06535	0.8
83.04984	1.7
83.08610	2.7
85.02894	5.0
85.06524	1.5
86.09695	4.5
89.01034	0.7
91.03948	2.2
91.05470	2.9
93.03405	1.6
93.07037	2.3
95.04955	9.3
95.08556	1.2
97.06551	3.6
97.10141	1.8
98.97588	0.9
99.04443	0.9
100.11238	16.1
103.05469	1.9
105.03363	5.1
107.04930	1.4
107.08591	2.2
108.02077	1.6
108.05196	0.8
109.06486	2.1
109.10162	1.1
110.03655	5.1
110.07162	0.8
111.04386	1.8
119.04939	0.9
121.06499	3.5
121.10112	1.6
123.04423	8.6
123.08061	1.1
123.11702	0.8
125.02348	3.2
125.05961	2.7
125.09637	2.3
131.08565	0.9
137.05972	1.2
138.03069	1.1
139.03893	0.9
140.04663	53.0
141.05005	1.2
142.02606	3.4
143.08630	0.7
149.06027	1.5
149.09543	0.9
153.05389	2.2
155.07008	60.5
161.13324	0.8
166.06244	1.2
167.07021	7.3
171.06523	6.6
171.28679	0.8
173.08026	6.1
177.05447	1.3
179.07037	2.5
181.04933	100.0
182.05351	1.7
191.10722	0.9
195.06581	0.9
199.07684	1.1
209.08075	20.6
209.09959	1.5
209.16455	3.1
227.07024	1.7
227.09023	14.9
227.12506	1.4
227.17686	3.6
227.19588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0811
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
50.87984	1.0
55.01846	1.3
55.05492	3.3
55.88760	1.2
56.96563	1.1
57.65402	0.9
69.03446	1.0
69.07050	4.4
70.45383	3.0
78.14443	1.1
79.05479	1.0
81.07041	1.1
83.08611	1.8
84.07274	1.0
86.09690	4.1
91.05445	1.3
93.07035	1.1
95.04948	1.7
98.72211	1.0
100.11222	2.1
100.83929	0.9
101.35896	1.0
105.06972	1.1
107.04950	1.7
114.81745	1.0
115.05431	1.5
117.05744	46.0
121.06503	1.4
121.10161	1.0
123.04432	1.5
128.06232	2.1
129.07001	6.3
130.06517	51.9
137.05995	1.4
140.04707	1.5
141.05702	2.5
142.06482	2.0
143.06209	2.0
143.07291	28.0
143.08427	2.2
148.07538	2.4
154.06517	14.2
155.07120	1.9
156.08073	19.3
157.06348	2.0
157.07581	21.6
158.05994	11.5
159.06740	1.4
163.03955	2.1
166.06445	1.4
167.07069	4.5
169.05200	6.9
170.05865	1.2
178.30061	1.0
181.04933	2.9
181.07571	9.9
182.05956	5.4
182.08403	4.8
183.05455	1.4
183.09186	8.8
185.07088	100.0
186.07474	1.9
187.06293	2.2
189.65822	1.3
199.08757	1.3
200.07021	3.4
209.07050	7.7
227.08134	29.4
227.10237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68321	0.3
53.03938	1.0
53.86526	0.3
55.01864	0.7
55.05508	32.6
56.05839	1.1
56.96571	0.5
57.07074	1.8
57.82294	0.3
58.48617	0.3
65.03960	0.5
67.05493	1.0
69.03429	0.7
69.07058	1.9
70.06569	0.8
71.04984	0.5
71.52242	0.3
72.08144	0.4
73.02930	0.4
78.04723	1.2
79.05477	1.3
81.03404	0.6
81.07059	1.7
82.06577	13.0
83.04977	5.9
83.06914	0.3
83.08614	17.4
84.08148	0.9
84.08950	0.6
85.06528	0.5
86.09681	0.9
89.03866	0.3
91.05476	3.9
91.58118	3.5
93.07023	1.6
95.04959	2.0
95.08607	0.4
97.06512	0.6
98.09689	1.9
99.04448	0.4
100.07612	4.0
100.09450	10.0
100.11250	100.0
100.59587	1.3
101.11573	2.7
103.05467	2.6
105.03323	0.4
105.07021	0.5
106.04163	0.6
107.04967	1.6
107.08571	0.5
109.06477	0.8
109.10133	0.4
110.06027	6.0
111.04434	6.0
111.06326	0.4
112.07581	1.5
114.09158	3.0
117.03382	0.6
117.13885	4.7
118.14260	0.5
119.04929	0.5
119.08572	0.4
121.06503	4.7
121.10131	0.6
122.03648	0.7
123.04413	3.6
124.05211	1.3
126.09155	1.6
127.07632	0.4
127.08619	0.7
128.06181	0.3
128.07068	5.8
129.05469	1.2
131.04903	2.6
133.02913	0.4
133.10109	0.5
133.11676	0.8
134.03625	1.0
134.10699	0.7
135.04420	0.4
137.05972	4.0
139.08649	1.0
140.04674	1.6
140.07002	1.0
140.10687	1.0
141.06729	0.3
141.11465	12.1
141.61607	1.7
143.08540	0.5
143.11786	1.2
145.02849	0.4
147.04416	0.7
147.11691	0.5
148.05176	0.5
149.05978	6.3
150.06332	0.3
151.03911	0.8
152.04660	0.9
153.05435	1.8
153.06767	0.5
154.12247	4.4
155.07051	0.8
155.11224	2.0
159.04414	1.5
163.03900	0.6
163.07504	0.5
163.64371	4.3
164.14462	0.9
165.05486	0.6
165.06976	0.3
166.06349	0.3
166.15936	0.6
167.07027	40.1
168.07353	0.6
168.13797	0.6
171.08136	0.4
171.11606	0.4
172.15688	2.7
172.65831	0.3
177.05469	11.1
181.04901	0.6
181.08551	0.5
182.15393	16.3
183.15681	1.1
191.06993	0.8
194.05656	0.4
195.06529	0.5
199.07576	0.8
199.18042	8.3
200.18384	1.0
204.66481	0.6
205.18015	0.5
209.08084	3.0
209.16492	9.9
210.14906	7.6
210.16762	0.6
211.15201	0.6
211.17148	0.3
213.17775	14.3
213.67976	2.6
225.15981	1.7
226.19096	1.1
227.06990	1.1
227.08923	0.6
227.10777	0.7
227.17529	15.3
227.19440	0.9
228.10201	0.5
228.17854	0.6
244.20227	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02383	0.6
53.03952	1.1
53.86437	0.5
55.01865	1.4
55.05502	1.2
56.05019	0.5
56.96550	1.8
57.03435	0.7
57.07081	0.8
60.40023	0.5
65.03925	4.4
67.05500	2.5
68.99778	0.6
69.03421	1.9
69.07064	3.2
71.04983	2.3
76.03174	0.6
77.03922	1.7
79.05484	2.3
80.06232	0.6
81.03406	0.8
81.07049	3.0
83.04966	1.6
83.08598	0.8
85.02907	1.5
85.06558	0.9
86.09698	8.4
89.03927	1.8
90.04692	0.7
91.05473	58.2
92.05800	0.8
93.03403	1.0
93.07040	2.6
94.04189	0.6
95.04957	5.5
95.08601	1.9
97.02890	1.1
97.06520	1.6
98.21464	1.2
99.04440	4.3
103.05468	2.4
104.02594	0.6
105.03374	2.9
105.07004	2.9
107.04942	1.9
107.08587	2.4
108.05749	1.1
109.06532	2.5
109.10152	1.7
111.04437	1.1
111.08074	2.0
112.03963	0.8
118.04147	6.3
119.04932	59.9
119.08585	2.7
121.02848	2.3
121.06512	1.5
121.10140	2.6
123.04391	3.4
123.08073	2.8
123.11678	1.9
125.05957	1.9
125.09606	0.9
129.03360	1.1
131.04910	1.3
131.08527	0.7
132.02074	4.5
133.02814	1.6
133.06509	0.7
133.10110	0.7
135.04431	2.9
135.11711	0.8
136.05228	2.6
137.05965	2.5
137.09595	1.7
138.06726	0.9
139.07515	1.4
139.11105	0.6
140.04680	0.6
143.08568	0.6
145.02806	1.4
146.03595	1.3
147.04393	50.2
147.11688	1.6
149.02327	8.6
149.05945	1.3
149.09592	2.9
150.03127	0.7
151.03862	1.3
151.07542	2.1
151.11180	0.6
153.05438	2.1
154.06264	1.6
155.07008	0.9
157.03976	5.4
160.01587	0.5
161.09584	0.8
161.13219	0.9
162.03079	0.7
163.03893	1.9
163.11169	1.6
164.04675	5.7
165.05486	1.1
165.09120	0.6
165.12808	0.8
166.06296	0.7
166.08595	0.5
167.06982	1.5
167.10603	0.9
169.08589	1.8
171.11661	0.9
174.03142	1.3
175.03891	77.3
176.04248	2.1
177.01811	3.9
179.03429	0.9
179.06992	7.1
179.10579	0.8
179.14311	1.2
183.06540	2.3
183.13733	0.9
189.12732	2.6
192.04152	27.9
193.04950	2.4
197.08095	0.7
207.06505	100.0
207.13782	3.5
208.06854	1.6
224.06558	0.8
225.04041	1.0
225.07512	1.7
225.11003	0.7
225.14648	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	225.1483
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03936	1.5
55.01885	1.4
55.05506	7.2
57.03442	2.8
57.07066	4.6
59.05002	2.1
63.56552	1.2
65.03919	1.8
67.05502	5.1
69.03420	3.0
69.07050	6.7
71.01350	3.6
71.04988	42.9
71.05838	3.4
75.86070	1.3
76.56541	1.3
79.05486	6.6
81.03404	3.3
81.07051	12.7
83.04977	4.5
83.08610	7.6
85.02914	3.6
85.06522	3.2
86.09692	1.9
91.05466	13.0
91.12486	1.3
93.07042	4.0
95.04953	4.5
95.08598	14.9
97.02863	1.6
97.06525	13.6
99.04446	100.0
99.08094	1.6
103.05428	1.4
105.03400	3.0
105.07021	8.0
107.04935	1.5
107.08579	39.5
107.75665	1.3
109.06503	26.1
109.10140	4.1
111.08059	3.9
111.11695	4.9
113.06055	1.5
113.09653	5.4
119.04918	9.2
119.08550	6.4
121.06483	1.6
121.10120	15.8
123.04440	2.6
123.08070	17.4
123.11702	17.0
125.05960	3.7
125.09607	10.6
127.07478	1.9
131.08540	1.9
132.02036	1.4
133.10083	1.9
137.09615	4.1
137.13234	6.6
138.06715	1.5
139.07602	1.4
139.11185	5.7
141.12759	2.5
147.04401	8.8
147.11667	8.9
149.02290	1.4
149.09554	9.6
149.43497	1.2
151.07553	3.9
153.06943	1.8
154.06219	3.1
155.10599	1.6
161.13266	3.2
163.11162	3.0
164.18427	1.4
165.05440	1.7
165.09132	3.8
165.12738	15.6
167.07031	4.4
167.10652	25.4
168.45705	1.4
169.08672	2.3
171.11781	1.4
175.03925	12.9
177.42258	1.4
179.14313	2.1
181.12337	2.0
183.13799	40.6
189.12785	5.8
192.04135	5.2
207.06538	13.1
207.13744	10.0
225.07413	2.4
225.09317	1.7
225.12822	2.3
225.14778	18.1
225.16580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32138	0.6
56.96564	4.9
67.05482	0.8
67.76966	0.6
68.01755	0.7
69.93140	0.6
71.09407	1.3
81.49173	0.6
82.99870	0.8
84.96027	7.9
85.02874	0.7
98.97559	4.4
101.00871	9.8
102.97060	1.2
109.07614	0.6
116.98618	4.0
119.01912	59.5
120.01997	1.6
134.99786	6.8
137.02945	25.5
138.03020	0.7
142.03510	6.8
153.00928	3.0
158.99843	5.0
160.04553	2.6
161.02925	1.8
167.10568	0.7
169.08463	0.7
173.01193	1.3
174.97600	0.6
175.02921	0.8
177.00940	100.0
178.01068	7.0
179.00793	2.0
179.03983	2.8
182.99696	4.8
183.06239	1.3
184.02182	0.8
184.04504	1.2
193.04074	1.4
195.01991	3.1
200.02527	2.8
201.00763	11.1
201.02501	2.7
202.00903	0.9
202.02716	2.2
202.05588	1.4
217.04054	9.2
219.01978	91.9
220.02095	15.3
221.02037	1.4
225.00656	5.2
225.04210	1.5
242.03671	3.0
243.01886	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73532	0.5
56.20971	0.4
56.96560	8.5
67.05496	0.6
69.03402	0.8
69.07052	0.4
69.65166	2.7
71.16234	0.5
71.95260	0.7
75.32796	0.4
77.00899	0.7
79.05467	0.8
81.03423	0.8
81.07032	1.1
82.99858	0.8
83.04982	0.5
83.06120	0.7
84.96022	14.3
91.05469	0.6
93.07016	0.9
95.04967	0.6
95.08578	1.0
98.20780	1.1
98.97556	6.7
99.04450	1.3
101.00872	6.7
102.97070	3.2
105.03393	1.1
105.07040	1.1
106.46268	0.5
106.92558	0.5
109.06526	0.8
116.98611	7.7
118.03564	1.1
119.01907	59.9
120.01996	2.7
120.98111	1.8
121.01596	0.7
121.10073	0.7
123.08054	0.8
123.11684	0.5
125.02363	0.7
125.05923	0.6
134.99692	11.1
137.02945	30.8
138.03027	0.9
138.06754	0.5
140.00330	0.6
140.98776	1.4
141.04974	0.6
142.03471	6.2
142.75197	0.6
144.03207	0.5
153.00804	4.7
154.00998	0.6
154.06256	1.7
155.00116	1.7
157.01648	0.5
157.03427	1.1
158.06676	0.7
158.99828	3.9
159.02985	0.6
159.04980	0.6
159.99892	0.5
160.02678	0.6
160.04564	3.8
161.02959	2.0
161.04652	0.5
164.98904	0.6
165.05124	0.6
169.08553	0.7
172.04524	0.6
173.01215	2.9
173.02666	0.9
175.02983	0.8
175.04485	0.6
176.02486	0.6
177.00929	100.0
178.01022	10.9
178.03596	0.8
179.00603	2.6
179.03983	3.7
180.98454	0.5
182.99675	5.8
183.06180	1.6
183.13724	0.6
183.99861	0.5
184.04457	0.8
193.03992	1.5
195.01997	1.8
196.94304	0.5
197.08014	1.0
199.42914	0.6
200.02486	3.1
201.00720	21.8
201.02451	4.2
201.07182	0.7
202.00931	1.1
202.02568	1.9
202.05499	1.6
202.07150	0.7
203.02249	0.7
203.04002	0.7
206.04373	0.9
207.01390	0.6
207.06409	1.0
207.13927	0.6
217.04044	9.3
218.03722	1.5
219.01961	88.0
219.94493	0.8
220.02074	15.7
220.04164	0.9
221.01660	2.5
221.05043	0.6
224.02321	1.5
225.00574	4.3
225.04222	1.5
225.07449	0.9
225.09430	0.7
225.75087	0.6
227.04100	0.8
242.03535	4.2
243.01872	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	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
55.01865	4.8
55.05497	10.3
55.85756	2.5
57.03422	4.2
57.07072	12.7
59.05003	5.4
67.05505	14.0
69.03421	7.5
69.07059	9.9
71.04985	5.3
71.53033	3.6
79.05474	17.6
81.03422	6.1
81.07052	21.2
82.91273	2.3
83.04967	9.7
83.08609	5.3
85.02908	5.2
85.06532	2.4
85.89578	2.4
91.05489	11.5
93.07039	27.0
93.07583	3.5
95.04954	16.3
95.08596	16.5
97.06509	10.9
99.04469	3.4
105.07029	15.3
107.04942	26.4
107.08576	24.8
108.68736	2.0
109.06528	8.0
109.10161	10.0
111.04459	4.0
111.08086	6.9
117.07018	6.1
119.08581	13.3
121.02881	2.8
121.06485	9.7
121.10117	25.0
123.04431	3.3
123.08055	5.3
123.11671	3.0
125.05978	31.5
125.09652	2.8
130.07704	2.8
131.08600	5.4
133.10092	5.2
135.04355	3.9
135.08046	9.4
135.11667	11.0
137.05989	19.7
137.09619	7.1
138.06738	5.2
139.07516	8.7
143.08614	2.3
145.06505	4.0
145.10100	17.4
145.87900	2.1
147.08017	3.9
149.02338	17.8
149.06024	3.3
149.09621	7.1
149.13260	3.7
151.03931	2.9
151.07562	4.5
151.11201	4.9
159.08073	2.8
159.11734	8.7
161.13234	2.9
162.03140	4.9
163.03954	2.3
163.07533	6.6
163.11165	100.0
164.11629	2.1
165.09071	3.0
167.07021	78.4
167.08446	4.9
167.14334	2.4
177.05447	5.0
177.09097	4.2
177.12816	5.0
177.16376	3.4
181.12204	6.7
187.11197	3.9
187.14828	4.3
190.02539	4.3
191.07025	13.3
193.01321	3.4
195.10158	2.7
205.04968	5.6
205.08492	3.2
205.12149	13.0
205.15880	5.2
208.03671	6.2
223.04041	2.3
223.05978	34.6
223.09621	8.2
223.13193	29.8
223.16714	14.6
225.04259	17.1
227.02280	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	223.1689
Annotation	Sinunorcaryophyllenol
Peak:m/z	Relative Intensity
50.64282	1.2
54.25074	1.1
55.05491	5.2
57.07058	1.6
67.05494	6.5
69.07059	7.7
70.49560	1.7
70.49915	3.8
71.04989	9.6
77.03909	1.4
77.36399	1.1
79.05470	8.8
81.06596	1.5
81.07049	16.4
83.04972	1.6
83.08601	3.2
85.06531	3.3
91.05468	30.5
92.05808	1.2
93.07027	14.8
95.04961	4.0
95.08596	36.9
97.06492	3.8
99.08089	10.6
105.07021	100.0
107.04955	1.9
107.08585	16.8
109.06529	2.9
109.10120	4.8
111.08028	7.0
113.09602	4.1
117.07005	7.4
119.08566	37.3
121.10120	11.2
123.08054	5.0
125.09607	2.8
130.07761	1.6
131.08556	11.1
133.10118	7.4
135.08032	2.3
135.11722	6.7
143.08560	1.7
145.10104	53.5
147.11658	20.8
149.02333	3.1
149.05933	1.5
149.09605	3.2
153.12756	1.9
159.10452	2.3
159.11679	25.5
161.12001	2.3
161.13251	34.2
163.11147	6.0
163.14819	8.9
165.12729	3.0
176.93843	1.2
177.12737	6.6
177.16344	8.1
187.14795	46.3
205.12193	4.1
205.15855	75.5
223.05963	5.3
223.13258	6.2
223.16847	14.5
225.04269	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	222.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05506	67.7
56.05010	0.7
56.05832	0.9
56.96573	1.5
57.07074	0.7
58.99589	4.3
59.06114	1.0
64.26755	0.5
65.80921	0.5
67.05491	0.6
68.83222	0.6
70.06590	2.8
71.51981	0.7
71.52341	0.8
72.08147	2.8
76.02218	1.9
79.05477	1.1
81.03421	0.8
81.07037	0.7
83.06058	0.8
83.08611	100.0
84.08131	2.7
84.08927	0.7
85.99068	0.6
86.09689	0.7
86.99046	4.6
91.05453	1.0
91.09844	0.6
93.07007	0.8
95.04947	0.8
95.06133	0.7
95.08576	0.8
98.97581	0.8
101.09645	13.8
105.00082	7.6
105.07030	1.2
107.04963	5.0
108.05286	2.4
109.07665	0.8
111.04385	0.9
119.04880	0.9
120.08128	1.7
121.06493	1.5
122.02730	2.1
130.06494	8.5
131.04919	1.0
132.04465	1.7
134.05997	0.7
135.04401	0.8
137.05997	0.9
138.05539	0.9
139.03946	1.7
148.07523	3.6
149.01257	1.0
149.02342	1.4
158.06023	2.9
159.08366	1.6
161.05978	0.7
162.05423	0.9
163.03864	0.8
176.07048	12.2
177.05458	0.8
194.04463	0.8
205.08937	15.9
205.10870	1.1
207.03084	0.8
207.13803	0.7
216.97899	0.9
222.07533	6.3
222.11459	2.1
222.15497	0.8
223.05998	2.1
225.04173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03928	3.3
55.01860	5.1
55.05487	5.3
57.03415	2.5
57.07047	6.8
67.05505	12.8
69.03415	2.0
69.07052	13.0
71.04966	8.3
71.52555	3.2
77.03923	2.4
79.05489	13.8
81.03412	3.3
81.07044	48.9
83.04960	7.3
83.08601	4.4
85.06539	21.1
91.05467	27.0
93.07030	25.7
95.04925	8.4
95.08586	39.8
97.02931	2.7
97.06511	5.6
99.04403	3.2
99.08086	5.3
105.07021	88.4
107.04951	5.9
107.08584	26.9
109.06494	8.4
109.10158	14.6
111.04385	2.4
111.08051	6.2
113.09615	12.3
117.07010	6.4
119.08559	31.1
121.06468	7.0
121.10121	19.9
123.08011	6.9
123.11703	3.6
129.07011	2.9
130.07759	2.6
131.08554	70.5
133.10132	12.7
135.04427	2.2
135.08040	13.0
135.11685	9.8
143.08560	4.3
145.10106	34.9
147.11679	60.1
149.02310	16.2
149.09612	28.6
149.13284	3.5
158.10866	4.7
159.11682	34.8
161.13225	38.9
162.03200	3.9
163.03798	2.8
163.07498	2.2
163.11150	17.6
163.14804	17.1
165.12813	3.9
177.12712	10.4
177.16335	8.3
187.14799	100.0
188.15187	2.7
190.02571	4.4
193.10155	4.2
195.11723	2.4
200.11137	2.5
205.08612	2.7
205.12347	5.3
205.15860	92.2
206.16112	2.3
208.03638	5.1
208.12503	2.9
223.06003	25.5
223.09464	4.9
223.13235	10.3
223.16885	96.7
225.04305	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	222.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05172	1.2
64.57877	1.7
66.42610	1.5
69.82384	2.3
69.82793	5.1
71.07341	1.8
86.09688	21.3
92.88857	1.5
98.20921	2.1
162.94595	21.5
170.02577	1.6
193.70247	1.5
222.01949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20691	2.0
55.01860	3.3
56.05019	4.4
56.96559	24.3
57.03427	10.1
61.02923	29.1
64.42765	1.8
69.03409	5.8
69.86038	11.5
70.06575	3.7
71.07373	3.8
73.02910	15.2
74.06071	13.9
75.77930	1.7
81.01041	2.0
81.03419	2.9
84.96045	2.1
85.02885	18.0
86.09703	21.3
88.02179	2.3
88.03965	4.5
90.01549	2.4
97.02860	7.3
98.01276	3.4
98.06019	3.1
98.21519	2.3
98.97582	28.7
99.04417	2.4
101.00769	2.1
101.13475	1.8
104.10741	2.0
110.01258	8.9
110.97535	4.3
113.02345	4.2
116.07095	3.8
116.98595	16.0
118.00967	2.1
119.01807	20.1
119.04657	2.1
124.95505	2.2
127.03839	3.8
128.02307	36.1
128.07010	2.0
128.52478	2.6
128.98561	8.5
132.06558	2.5
133.01491	3.1
134.99599	6.8
135.03076	2.1
137.02806	15.1
139.53098	4.6
142.96465	3.9
143.00114	2.9
146.02307	3.0
146.99600	9.8
149.01140	2.0
153.01273	2.3
156.97441	10.7
157.03503	3.5
158.99638	6.0
160.97551	3.0
161.01164	2.9
161.02780	3.9
162.01756	7.7
162.07574	4.6
162.94492	18.9
162.95404	3.3
162.95737	4.9
165.00702	2.1
168.01727	4.5
169.02573	3.8
169.77675	2.2
170.99611	5.3
173.02708	3.1
173.52585	2.7
174.98502	13.5
176.07146	4.2
176.09016	5.5
177.00653	8.1
177.02150	3.0
183.02345	9.2
184.97520	2.3
185.02914	3.1
186.07600	3.7
186.99219	2.3
188.96991	3.0
189.00647	7.4
192.02740	7.1
193.00140	4.1
198.98645	3.1
201.00607	5.0
202.98575	2.8
204.08620	2.6
206.04472	2.3
206.98070	2.0
207.01723	3.7
213.03325	4.0
216.99875	11.5
219.01704	4.8
222.01924	100.0
222.09535	4.6
222.11455	3.4
230.98073	4.3
235.01218	4.7
244.99582	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03917	1.6
55.05504	10.0
55.11739	1.0
57.07065	2.6
67.05495	8.7
69.07060	9.4
69.32192	8.3
69.32601	2.1
69.67744	1.1
71.04988	22.0
74.79081	0.9
79.05483	14.1
81.07048	62.7
83.04967	2.4
83.08614	5.3
85.06541	1.5
86.24523	1.2
91.05478	10.6
93.07030	36.7
95.04971	2.4
95.08599	29.3
96.17577	1.1
97.06513	2.3
97.10163	1.3
99.08105	5.3
105.07018	29.9
107.08582	62.1
109.06538	2.7
109.09483	1.5
109.10150	19.5
111.08044	1.2
113.09607	1.3
117.06995	2.0
119.08567	41.3
121.10128	10.4
123.08068	3.1
123.11705	15.3
125.09631	1.8
127.11152	5.1
133.10115	20.2
135.11674	100.0
136.11972	2.3
137.09575	3.4
137.13220	3.1
139.11147	1.7
147.11668	21.4
149.13211	8.0
151.11153	4.2
159.11636	1.8
160.12479	1.3
161.13239	10.7
163.14799	4.1
165.12833	1.3
175.14833	5.2
177.05434	1.9
177.16469	1.3
203.14211	1.9
203.17941	34.5
221.11714	1.2
221.15440	2.2
221.18991	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.72574	2.5
53.03944	4.6
53.04212	2.5
55.01868	5.9
55.05507	30.4
57.03432	3.2
57.07065	10.2
59.04983	4.1
59.34712	2.7
65.03953	2.8
65.55478	2.6
67.05506	43.4
69.03410	8.9
69.07067	50.1
71.04985	10.8
76.57839	3.0
79.05484	31.3
81.07050	87.3
83.04976	30.2
83.08619	20.6
84.43927	2.6
85.06542	6.1
87.16468	2.9
90.74403	2.8
91.05448	31.1
93.07038	57.5
95.04973	12.4
95.08602	93.0
97.02895	3.1
97.06519	11.4
97.10156	13.0
99.04425	3.1
99.08093	5.6
105.07023	73.3
107.04899	4.5
107.08587	86.8
109.06518	16.8
109.10144	77.0
109.10847	5.6
111.08058	11.6
115.05422	4.9
117.00785	2.9
117.07014	7.9
119.04916	6.0
119.08572	82.2
121.06518	9.6
121.10143	41.2
123.04475	3.7
123.08100	14.3
123.11687	20.6
124.84505	2.6
125.09624	12.1
129.06973	4.1
130.06464	4.3
131.04900	3.5
131.08595	7.8
133.06503	11.8
133.10127	49.1
135.08034	11.2
135.11688	22.4
137.02249	3.1
137.05948	8.5
137.09634	14.9
137.13199	5.0
139.11205	4.9
143.08542	8.7
145.10138	12.9
147.08037	10.3
147.11674	53.1
149.13268	7.0
151.07550	3.8
151.11163	12.4
157.10110	12.8
159.11638	22.2
160.12431	4.8
161.05995	10.0
161.09610	14.8
161.13254	36.5
163.11176	6.4
163.14764	18.8
165.01839	14.1
165.05466	5.0
165.09117	6.9
165.12772	11.1
175.03981	5.3
175.07497	7.3
175.11241	7.5
175.14825	28.4
177.05569	5.0
177.16409	6.1
178.02623	4.3
179.07008	3.6
179.10632	4.9
183.02780	18.2
185.13229	7.9
193.08650	5.8
193.15820	6.3
203.03384	3.9
203.07021	5.2
203.10722	8.6
203.14380	19.4
203.17957	100.0
206.16258	8.7
221.04471	13.0
221.08029	21.7
221.11653	18.1
221.15396	41.3
221.19032	71.8
229.62286	4.0
243.76880	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05493	6.6
57.07059	3.9
67.05489	18.8
69.06738	1.6
69.07047	11.2
69.88007	9.8
71.05001	2.3
79.05476	10.2
81.07044	38.3
83.04974	1.9
83.08578	3.7
91.05477	9.5
93.07027	12.9
95.04950	2.9
95.08591	39.3
97.06518	100.0
97.10151	3.4
98.20806	2.5
105.07023	19.8
106.72247	1.8
107.08586	23.7
109.06531	2.9
109.10131	29.5
111.08073	12.3
119.08570	14.8
121.10126	12.5
123.11670	12.1
125.09648	13.6
133.10091	14.1
135.11664	4.0
137.13239	1.8
147.11682	16.5
149.13214	4.1
151.11154	4.0
161.13272	7.4
163.11061	1.6
163.14755	2.8
175.14856	6.1
195.51085	1.7
203.14172	2.2
203.17934	38.4
203.19785	2.9
206.16232	3.2
218.53999	1.7
221.04327	2.7
221.11717	1.9
221.15414	2.2
221.19035	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.84094	1.2
53.03933	3.1
55.01846	1.9
55.05509	13.5
57.03423	1.3
57.07061	4.4
59.04984	2.0
62.13099	1.3
67.05493	12.4
69.07059	11.1
69.51904	8.9
71.04984	17.8
71.08606	1.8
71.14731	1.3
79.05487	13.0
80.61832	1.1
81.07047	54.5
81.07531	2.8
83.04952	4.1
83.08627	6.4
85.06513	2.2
90.08024	1.4
91.05455	18.0
91.13444	1.3
93.07032	42.9
95.04928	5.2
95.08597	31.6
97.06489	1.8
97.10130	2.6
97.12065	1.1
98.21485	1.9
99.08066	4.0
105.07017	29.5
107.04925	1.7
107.08582	57.4
107.17017	1.2
108.08900	1.8
109.06532	7.1
109.10146	23.6
111.08054	4.1
111.25347	1.1
113.09633	1.8
115.05412	1.9
117.07000	3.2
119.08570	47.6
121.06492	4.4
121.10137	12.1
123.08026	4.1
123.11680	18.9
125.09599	3.1
127.11160	4.6
129.07043	2.4
131.04921	1.5
131.08577	2.2
133.06448	3.6
133.10109	26.9
135.08026	1.7
135.11676	100.0
137.05959	4.1
137.09587	5.6
137.13211	4.1
137.38002	1.4
139.11090	2.0
143.08449	1.7
145.10097	4.4
147.08051	5.6
147.11674	22.6
149.02335	3.0
149.13298	7.7
151.11143	4.4
159.11653	2.9
161.05951	3.5
161.09586	3.2
161.13246	15.8
163.11160	3.8
163.14806	3.0
165.02106	1.3
165.05380	1.3
165.09138	3.6
165.12753	1.7
175.07448	2.2
175.08780	1.7
175.14796	6.6
175.75345	1.2
177.05484	3.9
177.09102	2.8
177.14687	2.4
177.16322	1.9
179.14375	1.7
193.08556	2.6
203.07039	1.8
203.10645	1.8
203.14304	5.5
203.17934	31.7
204.18246	1.8
206.16174	1.5
221.04402	2.3
221.07982	7.3
221.11707	5.0
221.15332	11.7
221.17230	8.9
221.18982	40.1
221.21902	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	221.1534
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
51.10348	0.4
53.03934	1.6
55.01871	0.8
55.05508	2.9
55.05719	0.5
56.96565	0.6
57.07077	2.3
59.04989	0.5
67.05506	3.8
69.03416	0.7
69.06800	0.4
69.07066	4.1
70.02782	0.5
70.13163	2.4
71.04990	1.0
77.03928	0.6
79.05485	5.2
81.07047	7.6
83.04980	1.0
83.08613	1.4
85.02866	0.5
85.06514	0.7
85.96880	0.5
86.87920	0.4
91.05470	17.4
93.07030	23.5
95.04957	4.4
95.08599	7.4
97.06520	1.3
103.05491	0.6
103.56943	0.5
105.04500	0.7
105.07014	15.4
107.04932	1.5
107.08583	11.8
109.06505	3.9
109.10148	3.9
111.04434	1.0
111.08052	0.6
115.05445	0.8
117.06994	2.2
119.08571	21.5
119.76713	0.4
121.06489	100.0
121.10110	4.5
122.06842	1.9
123.08037	2.4
123.11671	1.4
125.09653	0.5
128.06218	0.6
131.08551	1.9
133.06425	1.0
133.10109	7.8
135.08046	8.6
135.11702	3.1
137.05981	0.7
137.09605	2.0
142.07741	0.6
143.08554	2.1
145.06531	0.4
145.10091	5.9
146.10468	0.5
147.04382	0.7
147.06944	1.0
147.08038	10.9
147.11668	3.6
149.09615	0.6
149.13184	2.9
151.07515	1.3
151.11140	0.7
157.10136	1.1
159.11707	4.3
161.05957	1.0
161.09598	3.5
161.13228	5.5
163.11159	1.8
165.09103	7.8
175.11148	1.3
175.14813	6.6
177.12706	4.1
179.10677	4.4
179.14282	1.3
185.13255	3.5
191.14252	3.9
193.15919	0.9
203.06937	0.7
203.14284	8.6
203.17969	2.8
206.16168	1.6
214.62061	0.6
221.04434	2.0
221.08032	2.3
221.11702	1.6
221.15337	42.0
221.18570	2.9
222.15651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.28657	0.5
58.49342	0.5
58.95061	0.5
62.51826	0.5
70.06595	0.5
71.12853	0.7
71.13195	0.8
74.02425	0.7
77.50149	0.5
80.04984	0.7
82.02912	1.4
87.51314	0.5
89.65473	0.4
94.06543	4.3
95.04939	0.6
103.05460	0.7
104.04974	0.5
105.06978	0.9
106.06509	1.5
115.05417	2.1
118.06496	0.8
120.08074	1.8
120.51286	0.5
130.06508	56.7
130.55656	0.6
131.04909	0.9
131.06865	0.7
132.04434	36.2
132.08040	1.7
134.06013	9.5
146.06012	2.0
147.06342	3.0
147.09116	1.0
148.07564	5.7
157.07590	20.1
158.05992	77.7
159.06566	2.0
160.07544	4.5
162.05486	17.2
175.08647	100.0
176.07016	3.2
176.08994	1.6
186.05482	7.8
203.08061	1.2
204.06532	19.4
206.40039	0.5
221.09207	20.4
233.05312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03946	1.5
55.01868	0.8
55.05499	3.0
56.57655	0.7
57.03412	0.7
57.07083	1.8
66.43317	0.6
67.05501	5.8
69.03421	1.6
69.07058	6.2
71.04978	1.6
71.52261	0.8
71.52676	0.8
77.03916	0.9
79.05481	6.1
81.03421	1.1
81.07046	9.3
83.04967	2.6
83.08601	1.1
85.06501	0.7
89.82146	0.6
91.05468	20.4
91.22768	0.6
93.07036	25.2
95.04958	5.4
95.08600	10.8
97.02888	0.8
97.06523	3.4
97.10154	1.1
100.42252	0.6
100.66587	0.6
101.50323	0.7
103.05419	0.7
105.07020	19.0
107.04947	1.5
107.08585	13.7
108.08933	1.1
109.06502	3.5
109.10146	7.3
111.08054	2.1
117.07011	3.5
119.08566	29.5
121.06491	100.0
121.10111	9.3
122.06782	1.2
123.04388	0.9
123.08040	9.8
123.11676	2.1
128.26842	0.7
129.06987	1.1
131.08534	2.2
133.06482	1.5
133.10114	12.8
135.08041	9.8
135.11656	3.5
137.05966	1.6
137.09537	3.1
139.07552	0.7
142.07729	1.1
143.08531	2.0
145.10078	6.0
147.04428	1.5
147.08040	11.3
147.11667	5.3
149.09618	0.8
149.13217	3.3
151.07582	1.0
151.11177	1.2
151.14798	0.8
153.09126	0.7
157.10187	1.0
159.11641	4.7
161.05962	1.1
161.09636	4.2
161.13240	12.8
163.07489	0.7
163.11125	2.5
163.14763	1.0
165.01825	1.6
165.09090	7.6
165.12738	0.8
175.07500	1.6
175.11206	1.8
175.14809	9.1
177.12733	4.9
179.09236	0.7
179.10643	3.5
179.14337	1.2
183.02840	1.6
185.13193	4.4
191.14296	3.6
192.37096	0.7
193.15881	2.2
203.03273	0.7
203.10568	0.7
203.14275	6.8
203.17892	5.2
206.16187	2.5
221.04414	2.6
221.08063	3.8
221.12036	3.3
221.15335	44.7
221.18649	4.1
222.15587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37041	0.4
56.05026	1.1
56.96560	4.9
57.03419	0.8
60.04517	0.8
67.05473	0.7
69.03413	0.8
70.06573	1.1
70.94179	1.0
70.94530	0.9
73.02899	0.9
74.02428	0.9
79.05468	0.6
81.03370	0.6
82.02933	2.0
84.08118	0.8
85.02896	1.1
94.06548	3.7
95.04922	0.8
97.02866	1.4
98.97575	4.0
103.05490	1.2
104.05394	0.5
106.52788	0.5
107.04935	2.2
108.76157	0.5
110.07156	0.7
110.97585	0.5
111.08080	0.6
115.05422	0.6
116.98607	3.2
119.01865	0.5
119.08552	0.5
120.08097	1.2
121.06487	1.1
122.09892	0.4
128.98579	1.4
130.06509	68.7
131.06815	1.0
132.04433	41.2
133.03207	0.6
133.04755	0.7
134.99637	0.8
136.06177	0.7
137.05936	0.5
146.99600	0.7
148.07524	2.5
150.05783	1.0
157.07597	26.8
158.05992	82.5
159.06349	1.6
170.99506	0.6
173.02731	0.6
175.08649	100.0
176.07063	1.6
176.09016	2.0
185.75731	0.4
186.05431	3.1
196.99425	0.5
197.03267	0.8
203.08124	3.4
204.06541	4.6
217.00188	1.6
221.03072	0.6
221.09203	17.6
221.11411	1.0
221.97160	0.6
238.98087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96563	2.8
67.05493	0.8
69.03448	0.8
69.07060	1.0
71.34176	1.5
74.02431	1.1
79.05501	0.7
79.82715	0.6
81.07047	1.1
82.02937	1.4
83.08601	0.7
84.96012	1.0
85.02917	0.8
91.05454	0.6
94.06558	3.9
95.08580	0.6
97.02850	1.1
98.06043	0.7
98.97564	3.3
103.05445	0.8
104.04932	0.7
105.06982	0.8
107.04955	1.5
107.08564	1.1
109.10134	0.8
111.08083	0.8
115.05448	0.9
116.98627	1.0
119.08595	0.9
120.08080	0.9
121.06556	0.6
126.61257	0.7
130.06512	62.7
131.06870	1.4
132.04433	38.4
133.06432	0.7
133.10077	0.8
147.04355	0.7
147.09201	1.1
148.07555	2.8
157.06596	0.6
157.07597	33.8
158.06000	79.3
159.06287	2.0
175.08655	100.0
176.07072	2.3
176.08904	1.3
186.05478	2.0
188.44914	0.6
203.08124	10.8
204.06583	4.0
217.00200	0.6
221.04668	1.0
221.09210	18.8
221.15355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05502	6.0
57.07056	2.2
67.05497	7.3
68.06908	0.9
69.07058	6.2
70.77743	1.6
70.78076	1.8
71.04974	2.4
73.26991	1.3
79.05476	6.0
81.06601	1.3
81.07048	16.6
83.04957	2.2
83.08605	1.4
85.06522	1.7
85.34138	1.1
91.05457	10.3
93.07036	18.5
95.04938	1.7
95.08593	31.7
97.06503	2.5
105.07020	48.4
107.07872	2.5
107.08578	34.1
107.09311	1.9
109.06525	1.7
109.10128	6.8
111.08063	2.6
117.07000	9.5
119.07727	1.6
119.08567	25.9
119.09377	2.4
121.10124	13.9
123.08018	5.9
123.11691	2.7
125.09557	1.7
129.06995	2.4
130.07744	3.0
131.08551	36.3
133.10124	17.7
135.08037	1.7
135.11667	2.6
143.08490	1.9
144.09286	3.6
144.31255	1.1
145.10104	81.8
146.10863	3.3
147.11661	20.2
149.09575	2.6
149.13231	1.1
157.10110	1.4
158.10858	1.2
159.11674	45.8
160.12259	1.2
161.13266	10.7
163.11145	2.6
173.13234	9.1
175.14769	4.3
191.17828	1.3
201.16360	100.0
202.16646	2.3
203.14246	1.7
219.17422	71.4
220.17792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01849	0.7
57.07072	6.0
59.04993	5.3
63.65114	0.7
67.05506	5.5
69.07056	6.0
69.96487	3.1
70.02944	6.3
72.04507	15.0
73.02935	3.2
73.03269	0.5
73.06570	0.6
74.02436	0.9
81.07046	0.7
85.06535	10.8
86.09689	1.8
87.08103	1.7
90.05544	100.0
95.04954	6.3
96.08133	1.1
97.72645	0.6
98.02402	13.8
100.03970	3.6
103.07571	7.4
113.05994	3.4
113.90389	0.6
116.03441	15.0
124.07577	15.4
131.06992	0.9
142.08626	7.7
156.10175	1.2
160.09683	1.8
166.08650	2.3
174.11258	2.1
184.09663	21.8
185.10072	1.0
202.10721	28.9
204.14557	0.7
205.15811	2.2
220.11772	31.0
220.17781	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	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
52.04710	0.2
53.60009	0.2
69.29332	1.8
81.07020	0.2
105.07043	0.4
106.06580	0.2
108.08929	0.2
118.06532	10.5
119.07388	0.2
120.08118	0.3
131.07237	0.2
132.08067	3.0
133.08876	1.4
133.09761	0.2
134.09616	0.6
134.10501	0.3
144.08037	0.3
146.09633	3.0
147.10495	0.3
160.11209	0.6
162.09129	5.4
176.10747	4.1
176.14328	28.4
177.11476	1.5
177.14693	0.5
184.94421	0.2
189.15021	0.2
190.12257	3.1
202.15831	1.0
204.13925	0.3
205.15898	0.4
212.18768	0.2
218.05353	0.2
220.16939	100.0
221.17265	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	221.0442
Annotation	6-Methoxy-7,8-methylenedioxycoumarin
Peak:m/z	Relative Intensity
53.03919	0.2
55.05496	0.7
57.07060	0.3
58.97482	0.2
60.56558	0.2
63.02356	0.3
65.03926	0.3
67.01846	0.4
67.05492	1.2
69.03413	0.4
69.07063	0.9
69.74094	0.2
70.71891	0.2
70.72238	0.4
71.04963	0.3
74.88100	0.2
76.03125	0.3
79.05466	0.4
81.07044	1.9
83.08617	0.5
85.06516	0.3
89.03916	1.4
91.05452	1.7
93.07021	1.3
95.04952	0.5
95.08591	1.9
97.06516	0.3
99.04469	0.2
104.02577	0.4
104.06288	0.2
105.07016	1.9
107.08579	2.2
109.06485	0.7
109.10133	2.0
110.71579	0.2
111.04420	0.3
111.08052	0.4
117.03377	1.7
119.04927	3.5
119.08569	2.4
121.02845	0.4
121.06476	0.8
121.10122	1.0
123.08054	0.6
123.11674	0.7
125.09649	0.2
131.08537	0.3
133.10110	1.4
135.07945	0.3
135.11690	0.8
137.05931	0.2
137.09573	0.6
143.08557	0.3
145.02800	2.0
145.10100	0.4
147.04390	19.5
147.08070	0.6
147.11681	1.5
148.04720	0.5
149.02345	0.2
149.13208	0.4
151.11137	0.4
157.10089	0.3
159.11653	0.4
160.01552	0.2
161.05902	0.3
161.09621	0.5
161.13263	1.2
163.03877	4.1
163.11115	0.3
165.05328	0.2
165.12750	0.2
173.02332	3.0
175.03891	7.7
175.07407	0.2
175.14795	0.6
177.12614	0.2
179.14258	0.3
183.02893	0.4
185.13214	0.4
188.01024	0.3
191.03378	2.3
192.03906	0.2
193.04918	0.4
193.08519	0.2
203.03329	0.5
203.14346	0.7
203.17941	1.8
206.02086	2.6
206.16156	0.7
221.04420	100.0
221.15355	3.2
221.18953	2.0
222.04747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27876	0.3
53.03941	0.4
55.01881	0.4
55.05510	1.7
56.96566	0.5
57.03426	0.8
57.07063	1.0
57.47954	0.4
64.92812	0.4
65.03926	0.7
67.05503	2.5
69.03424	0.6
69.07059	0.9
69.60703	1.5
69.61129	1.1
71.04999	0.8
79.05486	2.1
81.03426	0.6
81.07055	3.2
83.04971	1.1
83.08607	0.7
84.08147	0.4
85.06500	0.5
91.04902	0.6
91.05467	11.0
93.07045	2.9
95.04972	1.8
95.08594	2.0
99.04401	0.4
103.05486	0.5
103.64556	0.4
105.07014	6.5
107.04959	1.5
107.08557	2.3
109.06508	1.3
109.10134	1.9
110.07129	0.4
111.08067	1.1
114.70912	0.3
115.05431	1.2
117.07011	1.4
118.06528	0.7
119.04928	24.4
119.06780	1.0
119.08559	3.8
120.05196	0.4
121.06538	1.7
121.10120	1.6
123.04426	1.0
123.08067	1.3
123.11681	0.5
125.09582	0.4
129.07001	0.8
130.06436	0.4
131.04959	0.6
131.08508	0.5
132.04515	0.5
133.06494	2.9
133.10146	2.9
135.08011	0.9
135.11655	0.6
137.05965	1.9
137.09592	1.0
143.04845	0.4
143.08557	0.6
145.06505	1.9
145.10088	1.6
147.04391	100.0
147.11684	1.1
148.04749	1.4
151.03870	2.1
151.07545	0.8
151.11215	0.5
157.10114	1.2
158.05992	0.6
159.08032	0.4
159.11707	1.0
160.05148	0.4
161.05965	3.4
161.09633	1.7
161.13289	2.1
163.09595	0.6
163.11153	2.6
163.18991	0.4
165.01825	0.6
165.05490	1.0
165.09111	1.1
175.03902	0.9
175.07497	1.3
175.08803	0.6
175.11153	1.2
175.14795	1.3
176.14287	0.6
177.05464	0.8
177.09096	1.5
177.14682	3.1
179.03325	0.8
179.06987	0.8
179.10684	0.6
179.14200	0.5
183.02872	0.8
185.13187	0.8
189.05449	1.1
190.06227	1.0
191.03326	0.6
193.08572	2.2
193.12357	0.5
193.15936	0.4
203.07013	1.0
203.10674	0.9
203.14288	1.3
206.16219	1.3
221.04375	1.6
221.08061	11.8
221.11499	3.0
221.15279	3.3
221.17302	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	221.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51763	0.6
70.40817	1.9
70.41211	1.2
74.02428	0.9
75.31178	0.6
81.03322	0.6
82.02917	1.7
90.05544	2.1
94.06563	4.2
100.90270	0.6
104.04913	0.9
105.07007	1.2
106.06553	1.6
107.12475	0.6
115.05433	1.7
119.08501	0.8
120.08100	2.2
130.06516	56.7
131.06854	1.1
132.04440	40.4
132.08075	1.3
134.06012	8.8
146.05986	2.9
147.06329	3.0
147.09145	1.8
148.07555	4.1
157.07596	22.2
157.08894	1.1
158.06000	77.5
159.06516	2.1
160.07607	4.2
162.05486	15.8
175.08655	100.0
176.07027	1.8
176.08948	2.5
185.10182	0.7
186.05463	6.0
203.08215	1.3
203.11052	1.2
204.06537	18.3
211.15996	0.7
221.09206	18.6
221.11478	1.4
228.48055	0.7
229.56525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05487	4.0
57.03400	0.9
57.07058	2.3
67.05499	11.8
69.03412	2.0
69.07066	10.2
70.97511	2.4
71.04974	1.3
79.05495	7.9
81.06589	1.8
81.07050	28.3
83.08612	5.2
85.06544	1.6
91.05473	8.1
92.75075	1.0
93.07037	15.5
95.04960	3.0
95.08601	17.6
96.77734	1.0
97.06495	3.5
97.10181	1.1
99.08087	1.7
105.07018	15.2
107.08583	18.1
109.06510	9.7
109.10145	25.0
111.08047	4.5
117.06987	6.7
119.08563	14.1
121.06480	4.3
121.10132	10.8
123.08047	6.5
123.11682	11.5
125.09601	2.7
130.07730	1.0
131.08556	10.0
133.10094	8.2
135.08044	6.7
135.11678	9.2
137.09605	4.6
144.09290	1.1
145.09059	1.9
145.10115	20.8
147.11655	3.6
149.09601	5.5
149.13263	1.1
151.11205	1.2
157.10085	1.3
159.11670	14.3
160.79265	1.1
161.09618	1.1
161.13252	11.9
163.11162	22.1
173.13243	5.6
175.14786	4.4
177.12686	1.0
177.16382	1.1
191.17937	2.8
201.16367	30.5
203.14336	4.4
219.17419	100.0
220.17749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03931	2.6
54.17554	1.5
55.05503	7.7
57.07045	3.5
67.05492	12.5
69.03423	8.9
69.07056	15.1
69.84539	8.9
71.04962	2.2
79.05478	7.4
81.07043	48.1
83.04951	1.7
83.08603	4.5
85.06511	3.7
91.05456	7.5
93.06475	2.6
93.07030	31.1
95.04943	3.6
95.08589	14.9
95.99244	1.5
97.06499	5.8
97.10155	3.0
105.07024	13.0
107.04933	1.7
107.08587	22.7
109.06496	18.0
109.10141	19.8
111.08042	3.7
111.11732	1.8
117.07003	4.3
119.08583	15.1
121.06491	57.1
121.10126	14.4
123.08032	6.4
123.11681	12.1
131.08557	5.9
133.10095	6.1
135.08035	45.1
135.11664	16.1
137.09624	13.7
137.13240	9.1
144.09312	2.1
145.10098	28.5
147.08025	1.8
147.11705	3.1
148.08812	1.9
149.09601	13.6
149.13229	2.1
151.11105	3.3
159.11678	18.3
161.09662	2.2
161.13232	6.4
163.11156	48.6
173.13264	3.1
174.11238	1.5
175.14766	3.1
176.11871	2.5
177.12718	22.7
180.35622	1.7
191.17958	7.7
201.16347	12.5
214.42442	1.8
219.17410	100.0
220.17780	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	219.1741
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
55.05490	3.7
57.07058	2.1
65.03900	1.0
67.05233	0.9
67.05499	9.4
69.03088	1.4
69.03425	16.6
69.07067	7.0
69.99299	2.6
69.99697	2.0
71.04983	1.1
79.05487	6.8
81.06599	2.1
81.07049	31.3
83.04958	1.7
83.08591	1.6
85.06519	2.1
91.05476	5.4
93.07031	27.1
95.04924	1.2
95.08591	12.8
97.06509	7.3
99.05785	1.1
104.39477	1.1
105.07005	9.2
107.04922	2.0
107.08572	16.1
109.06496	8.2
109.10137	16.6
111.08070	12.0
117.06984	3.7
119.08578	10.9
121.06473	9.3
121.10120	13.5
122.07304	2.3
122.18548	1.4
123.08031	4.9
123.11693	9.0
125.09599	4.2
131.08545	4.9
133.10136	6.0
135.06998	1.3
135.08029	25.8
135.11668	19.1
137.09604	36.4
145.10112	11.8
147.11720	1.2
149.09601	9.2
149.13229	2.0
156.78781	1.0
159.11681	10.8
161.09612	10.0
161.13210	7.2
163.11156	25.4
173.13263	1.9
175.14824	3.7
176.11960	10.2
177.12691	3.1
177.16377	2.3
191.17995	1.1
201.16353	8.7
203.14311	3.3
219.17415	100.0
220.17635	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03931	2.2
55.05499	7.6
67.05494	16.4
69.03403	1.9
69.07072	6.2
69.40671	7.0
75.11111	1.3
79.05493	8.3
81.07045	24.9
83.04990	1.3
83.08591	3.4
88.89340	1.0
91.05479	7.0
93.07033	16.9
95.04958	1.7
95.08597	21.8
97.06518	35.7
99.17223	1.0
99.43018	1.0
102.73694	1.1
105.06387	1.5
105.07019	14.2
105.97768	1.1
107.08578	16.7
109.06493	4.8
109.10148	30.4
111.08072	70.6
112.08415	1.8
117.06973	2.2
119.08575	17.0
121.06462	6.0
121.10132	14.3
123.08053	27.6
123.11680	6.6
125.09618	3.7
131.08551	5.1
133.10118	4.6
135.08055	12.7
135.11670	8.1
137.09621	15.4
137.13266	1.2
145.10107	17.1
147.11674	9.8
149.09573	6.1
149.13234	1.2
150.10330	1.4
158.10855	1.3
159.11658	10.7
161.09575	2.0
161.13258	5.9
162.10452	1.4
163.11163	28.3
173.13271	5.8
175.14761	2.7
176.11943	2.9
177.12718	4.3
177.16292	1.0
191.17915	1.3
201.16374	14.7
203.14317	2.5
213.10399	1.1
218.05515	1.1
219.17421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	SCHEMBL4407385
Peak:m/z	Relative Intensity
55.01850	1.8
55.05506	4.1
57.03394	0.6
57.07067	1.4
62.35318	0.6
67.05497	7.2
69.03417	1.5
69.07063	4.5
70.78088	1.8
71.04984	1.0
79.05482	4.0
81.06591	1.0
81.07048	13.3
83.04990	0.7
83.08594	2.2
85.06528	1.4
91.05460	4.7
92.71162	0.6
93.07039	10.2
95.04951	1.8
95.08599	12.2
97.06520	5.7
105.07021	8.5
107.04929	1.3
107.08580	10.6
109.06499	3.9
109.10138	8.3
111.08056	9.9
117.07003	3.6
119.08567	8.2
121.06494	5.7
121.10130	7.4
123.08048	8.7
123.11686	2.2
125.09592	1.7
129.06961	0.5
130.07716	0.7
131.08539	6.9
133.10115	4.6
135.08014	4.6
135.11664	5.1
137.09589	4.9
137.13226	1.2
144.09346	0.7
145.10112	12.6
147.08044	0.7
147.11673	4.4
149.09598	19.2
149.13206	1.4
151.11139	1.4
159.11678	16.7
161.09607	1.4
161.13222	4.7
163.11154	19.0
173.13272	3.4
175.11143	0.8
175.14818	0.6
177.12727	8.5
190.73308	0.6
191.14256	1.4
191.17879	1.6
201.16348	15.4
203.14249	2.2
219.17412	100.0
220.17706	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	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89750	9.9
53.42921	12.0
71.51566	17.5
84.08123	19.7
90.14690	11.9
93.06987	10.6
94.06544	13.8
98.97567	75.7
105.98328	12.2
112.81426	11.3
116.35182	10.1
116.98625	40.8
134.99625	23.0
177.00786	20.2
203.14293	31.3
219.02679	26.4
219.17413	100.0
229.09482	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	219.174
Annotation	(-)-Cryptomerione
Peak:m/z	Relative Intensity
55.01862	0.7
55.05504	3.4
57.07060	1.4
58.71759	0.5
67.05498	7.4
69.03416	3.3
69.07059	5.7
70.76640	1.6
71.19611	0.6
76.60434	0.6
77.03888	0.7
79.05504	4.2
81.07047	22.6
81.07524	1.3
83.04983	1.3
83.08599	2.2
91.05473	2.3
93.07033	10.4
95.04961	1.2
95.08591	10.5
97.06522	8.7
97.10163	0.9
105.07011	4.4
107.04931	1.1
107.08575	9.3
109.06507	2.9
109.10146	15.0
111.08072	15.1
116.30933	0.5
117.06956	1.1
119.08578	5.7
121.06499	2.8
121.10136	7.4
123.08058	4.6
123.11693	10.6
125.09624	1.5
129.06975	0.7
131.08601	2.6
133.10100	2.2
135.08054	10.4
135.11690	4.9
137.09593	4.6
145.10095	6.5
147.11639	1.6
149.09598	9.1
149.13240	1.8
159.11702	5.7
159.45569	0.6
161.09550	0.9
161.13237	4.5
163.11174	21.0
163.12546	1.0
173.13266	1.7
175.14818	1.5
176.11940	1.9
177.12738	2.9
177.16333	1.6
187.18648	0.6
191.11885	0.5
191.17886	0.9
201.16362	5.5
219.17418	100.0
220.17752	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	217.1585
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.11790	0.9
53.03928	3.2
55.01861	2.0
55.05273	1.5
55.05508	17.7
57.07061	1.7
59.04989	1.5
63.55577	0.9
67.05496	11.9
69.03397	4.2
69.07066	10.0
70.88109	1.1
70.88448	2.2
79.05474	9.2
81.07048	24.7
83.04971	18.1
83.08590	3.5
85.06526	2.6
87.04439	1.5
89.02347	1.6
89.06015	3.6
90.14283	0.9
91.05470	33.4
91.11163	1.2
93.07034	19.1
95.04954	5.5
95.08598	32.2
97.06522	4.0
98.00259	1.0
98.96480	1.0
101.06021	5.8
103.05457	1.8
105.07022	53.8
107.04940	2.1
107.07875	2.0
107.08580	31.9
109.06509	15.1
109.10144	14.9
111.04432	20.5
111.08076	3.9
113.05976	3.3
115.05461	2.1
117.07024	6.4
119.08568	61.5
121.06496	6.6
121.10133	19.5
123.08038	10.6
123.11606	1.0
127.07513	4.0
128.06200	3.8
129.05443	5.5
129.06976	5.3
130.07686	1.0
131.08554	12.2
133.06448	4.5
133.10117	52.8
135.08034	9.0
135.11696	2.3
137.09601	4.0
141.06955	1.1
142.07797	5.1
143.08548	12.3
144.09291	3.3
145.06471	1.8
145.10127	9.8
146.07251	1.6
147.08040	19.5
147.11674	17.7
149.09601	3.1
155.07018	31.0
156.09300	2.0
157.10126	17.1
159.08063	2.3
159.11671	18.1
161.09601	63.9
161.13211	5.3
162.10069	1.1
169.10089	1.9
170.10945	1.1
171.11658	6.2
173.08081	13.2
173.13248	9.8
174.10318	1.3
175.11168	12.5
175.14795	22.6
178.74121	1.0
184.12497	2.4
187.11049	1.3
189.12720	3.7
189.16351	18.8
199.09654	1.9
199.14810	29.2
202.02563	1.4
217.04962	1.9
217.08656	2.1
217.10652	12.8
217.15858	100.0
218.16191	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	217.1584
Annotation	Parvifolin
Peak:m/z	Relative Intensity
53.03923	0.4
53.22636	0.5
53.66470	0.4
53.89211	0.5
55.01855	0.5
55.05499	4.6
57.07061	0.7
57.37944	0.4
60.27856	0.4
63.26375	0.4
67.05489	2.8
69.03085	0.7
69.03419	7.1
69.07037	1.2
70.05622	2.2
71.86021	0.4
77.67396	0.4
79.05466	1.3
81.07052	4.4
83.04967	4.4
83.08574	0.6
87.04411	0.6
89.06001	0.9
91.05449	2.9
93.07027	3.7
95.04942	1.4
95.08591	5.2
98.21468	0.5
101.05976	1.3
105.07005	5.2
107.08589	9.0
109.06483	2.7
109.10133	2.9
111.04430	6.6
111.08057	1.2
113.06013	0.6
115.05382	0.4
117.06972	0.6
119.04894	0.7
119.08562	6.1
121.06511	4.3
121.10124	3.1
123.08014	2.4
127.07528	1.2
128.06197	2.1
128.75642	0.4
129.05412	1.3
129.06984	1.7
131.08539	2.2
133.06488	0.6
133.10094	5.5
135.08011	3.1
137.09547	0.9
142.07762	1.9
143.08548	5.8
144.09242	0.4
145.10071	2.5
146.07208	1.0
147.08015	4.9
147.11687	2.4
148.08762	1.5
149.09615	2.0
155.07010	8.4
156.09329	0.7
157.10107	5.0
159.07990	0.6
159.11650	2.7
160.08813	0.9
161.09592	16.8
161.13174	0.9
162.10275	1.2
169.32909	0.4
171.11652	1.8
173.08099	4.8
173.09517	0.8
173.13254	1.8
175.11166	7.2
175.14783	1.9
184.12347	0.5
188.11795	0.5
189.12711	1.3
189.16339	1.0
199.09589	0.5
199.14796	4.1
217.10938	2.8
217.15840	100.0
218.16135	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03942	1.5
55.01871	0.8
55.05505	8.6
57.07064	0.7
61.20085	0.7
64.67248	0.9
67.05497	6.5
69.03415	1.5
69.07063	4.1
70.12132	2.8
71.04978	1.2
78.96992	0.6
79.05482	7.9
81.07050	42.3
83.04969	6.8
83.08617	1.6
85.06527	0.8
87.08084	0.7
89.02374	0.9
89.06023	1.4
91.05464	11.1
93.07036	10.9
95.04955	2.1
95.08595	26.2
97.06497	1.3
97.10137	0.9
101.06009	2.0
105.07022	20.3
107.04932	1.0
107.08584	30.9
109.06505	12.8
109.10133	8.0
111.04436	8.4
111.08083	1.6
112.49986	0.8
113.32048	0.7
115.05453	1.8
115.35144	0.8
117.06993	5.7
119.08567	16.6
121.06514	1.7
121.10101	3.5
121.74553	0.7
123.08054	5.8
123.11716	0.7
127.07551	1.2
128.06229	9.8
129.05482	1.8
129.06996	9.5
131.08548	12.6
133.10114	17.9
135.08044	3.6
137.09581	2.9
141.06935	1.3
142.07782	5.7
143.08545	37.2
144.09276	2.3
145.06485	1.4
145.10115	4.7
147.08055	6.4
147.11691	7.0
148.08781	1.7
149.09630	1.3
155.07033	9.1
155.08330	1.2
156.09340	2.5
157.10106	21.8
159.11681	15.3
160.08775	1.5
161.09608	34.0
161.13280	4.2
162.10381	9.4
169.10101	1.2
171.11671	14.5
173.08101	5.4
173.13228	3.9
175.11185	5.3
175.14824	2.6
189.12714	11.1
189.16382	8.2
199.09601	1.0
199.14796	23.9
202.13525	1.1
217.10544	3.7
217.15858	100.0
218.16235	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	217.1585
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
53.03915	0.8
53.14014	0.5
55.05505	5.9
55.27554	0.5
55.69279	0.6
57.07061	0.9
67.05504	4.0
69.03423	4.7
69.07057	4.7
69.73090	1.8
69.73494	1.5
79.05491	3.2
81.07050	18.2
83.04987	3.2
83.08596	1.4
85.11139	0.6
89.02389	0.6
91.05464	7.3
93.07035	5.2
95.04920	0.7
95.08061	0.8
95.08604	9.0
97.06515	1.3
99.04416	0.7
101.06018	1.4
105.07017	22.6
107.08581	21.3
109.06499	2.2
109.10167	3.2
111.04427	4.2
111.08070	3.7
113.05972	0.9
117.06985	2.8
117.50992	0.6
119.04928	1.2
119.08566	100.0
120.08894	1.3
121.06476	0.7
121.10156	3.4
123.08048	3.6
127.07544	1.1
128.06235	1.7
129.05489	1.1
129.07001	1.7
131.08551	4.3
133.06459	0.6
133.10110	19.4
135.08040	1.5
137.09595	3.8
142.07745	1.7
143.08517	4.6
145.10083	2.1
147.08025	5.2
147.11690	7.7
149.09589	2.5
155.06998	6.1
157.10092	6.6
159.11658	4.8
161.09601	22.7
163.11166	2.0
171.11661	1.0
173.08101	3.2
173.13231	5.3
174.10324	0.8
175.11191	6.4
175.14803	13.3
189.16353	2.1
199.14815	7.7
217.10654	2.4
217.15851	97.0
218.16174	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	217.1585
Annotation	ar-Turmerone
Peak:m/z	Relative Intensity
55.05502	4.6
57.07065	0.6
57.42518	0.4
67.05500	2.8
69.03413	3.5
69.07065	3.2
70.77535	1.0
70.77892	0.7
79.05488	2.7
81.07043	17.6
83.04958	2.1
83.08598	0.7
87.04462	0.4
91.05464	5.3
93.07024	4.0
95.04945	1.3
95.08591	8.2
97.06516	0.7
101.06016	0.8
105.07018	20.1
107.04896	0.5
107.08582	19.8
109.06482	1.4
109.10146	3.5
111.04453	2.6
111.08057	4.0
117.06987	2.7
119.08563	100.0
120.08908	0.8
121.06548	0.8
121.10112	2.8
123.08042	3.0
123.71665	0.5
127.07453	0.5
128.06174	0.7
129.05446	0.6
129.07008	1.3
131.08574	2.6
133.06444	0.8
133.10118	21.3
135.08087	0.8
137.09579	3.2
142.07770	1.6
143.08517	3.0
145.10069	1.8
147.08026	3.8
147.11665	6.2
149.09593	2.5
155.06990	4.1
157.10101	5.6
159.11656	2.7
161.09599	20.2
162.10178	0.5
163.11154	2.3
169.41856	0.6
171.11688	0.7
173.08037	2.1
173.13242	4.2
175.11148	6.6
175.14790	12.3
189.16344	2.0
199.14793	7.0
217.10869	2.2
217.15842	83.5
218.16188	1.3
239.11748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	8-Oxo-9,12-dehydroverboccidentene
Peak:m/z	Relative Intensity
53.03939	1.3
55.01861	1.5
55.05266	1.0
55.05505	10.1
57.03434	3.2
57.07062	2.3
61.20982	0.6
62.20898	0.8
63.57487	0.7
65.03949	0.9
67.02934	0.6
67.05496	6.0
69.03410	2.9
69.07060	34.2
69.20310	0.8
69.20534	2.5
69.20957	4.3
76.63737	0.6
79.05485	4.3
81.03400	0.8
81.07046	6.8
83.04961	3.8
83.08617	4.8
85.06540	0.8
90.97944	0.7
91.05467	9.3
93.07042	7.4
95.04952	3.4
95.08593	8.1
97.06509	3.2
101.05951	0.6
103.05393	0.8
105.07021	25.7
107.04916	0.8
107.08575	11.2
109.06514	4.7
109.10126	5.0
110.76855	0.7
111.04422	1.8
111.08039	0.8
111.11715	4.5
115.05427	1.0
117.07018	3.1
119.08569	43.9
120.09340	0.6
121.06482	3.3
121.10135	12.4
123.08041	4.6
128.06190	3.0
129.07001	6.1
130.07784	2.0
131.08540	8.3
133.06453	2.8
133.10115	38.9
134.10887	0.7
135.08031	3.8
135.11665	2.5
137.09598	1.5
142.07729	3.7
143.08548	10.8
144.09277	2.7
145.06447	1.0
145.10115	17.2
146.07246	3.7
147.08034	15.7
147.11671	18.9
148.08791	4.2
149.09576	1.9
155.07043	1.6
155.08597	0.7
156.09311	2.7
157.10117	9.8
158.10919	3.7
159.08057	2.3
159.11667	11.7
160.08789	2.7
160.12427	1.1
161.09596	34.8
161.13219	7.8
162.10393	11.7
169.10101	1.0
171.11671	6.3
173.08083	0.9
173.13245	19.8
174.10374	8.7
174.13791	0.7
175.11182	20.8
175.14784	13.7
184.12457	0.8
189.12720	40.6
189.16353	21.6
190.13054	1.1
199.14856	5.2
217.15851	100.0
218.16171	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	215.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39066	1.2
52.35528	1.2
58.01440	2.4
69.93871	0.9
70.01400	1.0
71.06538	2.0
77.00888	1.2
82.01405	1.8
82.99835	2.2
86.00908	1.8
90.80289	1.1
97.63112	1.0
100.02470	14.0
101.00869	13.7
102.03969	1.4
104.01963	3.3
111.04019	1.2
112.02440	1.6
118.03512	58.8
119.01910	48.8
122.02987	1.8
125.00105	1.1
126.02757	2.6
126.03990	1.5
127.03535	9.5
129.05103	19.1
130.03508	11.3
135.03769	1.4
136.04544	40.4
137.02953	11.9
142.03529	6.0
144.03793	4.2
144.05035	30.2
145.04585	23.1
146.02927	1.2
147.06129	23.2
148.04541	9.5
154.03450	4.4
156.01353	1.3
160.04526	7.6
161.04051	2.5
162.06129	9.0
170.02977	16.7
171.01387	2.2
171.06169	18.6
172.04538	18.6
173.04070	42.9
174.02451	5.1
174.03868	1.1
178.05688	2.9
179.05127	1.8
180.01363	7.2
188.04044	25.6
189.07234	10.5
190.05609	9.4
190.07193	1.9
191.05119	57.4
192.05330	1.4
196.05696	1.8
197.04037	8.2
198.02472	19.9
199.00905	3.1
206.05066	4.8
210.14998	1.3
214.06607	1.3
215.05115	100.0
216.03511	8.8
216.05307	3.1
217.01891	3.1
226.67361	1.1
233.06165	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	217.0857
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
53.81800	0.8
54.10503	0.9
55.01855	1.9
55.05505	19.9
59.04972	2.3
59.07868	1.0
65.70121	0.8
67.05492	5.9
68.99780	5.2
69.03412	2.7
69.07047	3.0
69.70747	2.4
69.71162	3.3
73.02891	1.3
79.05459	5.0
81.07043	5.0
81.14877	0.8
83.04502	1.6
83.04972	28.3
83.08603	2.5
83.44331	1.0
85.06525	1.3
87.04443	4.0
89.02361	2.9
89.06005	4.0
91.05477	10.4
91.22899	0.9
93.07027	5.1
95.04943	2.7
95.08594	6.7
98.20817	1.0
99.04428	2.1
101.06003	11.3
102.77055	0.9
103.05451	3.0
105.07023	13.3
107.04947	1.1
107.08583	5.9
109.06482	2.5
109.10134	3.1
111.04430	35.9
111.08039	1.4
113.06007	5.8
114.36647	0.9
115.05445	5.8
116.06273	1.1
117.07009	6.7
119.04881	1.2
119.08581	9.7
121.06442	2.5
121.10098	1.9
123.08041	1.5
127.07544	5.9
128.06219	16.1
129.05534	8.7
129.06989	37.9
131.04922	7.3
131.08565	7.0
132.05690	4.3
133.06508	11.4
133.10100	7.8
135.08047	2.2
137.09592	1.2
139.05373	6.2
142.07771	1.8
143.08566	5.1
145.06435	6.0
145.10080	3.7
146.07207	2.5
147.04355	1.0
147.07990	3.9
147.11617	3.2
155.07019	44.4
156.05692	2.2
157.06471	20.2
157.10077	5.9
159.04353	4.8
159.11658	7.7
160.05165	8.5
161.05951	5.6
161.09596	12.4
162.10339	0.9
167.04895	1.6
171.07996	2.6
171.11623	2.4
173.05946	15.8
173.08064	27.4
173.13254	2.8
174.06750	12.2
175.07558	0.9
175.11186	4.1
175.14825	2.2
184.05167	1.3
184.12355	1.0
185.05966	37.2
186.06236	1.2
187.03928	1.9
187.07503	1.9
189.09087	100.0
189.12573	2.2
189.16278	2.0
190.09395	1.8
199.09564	2.8
199.14844	6.4
201.05391	3.7
202.02705	1.8
202.04430	1.5
202.06238	20.2
217.05000	3.4
217.08554	97.4
217.10645	20.6
217.15833	33.0
218.08890	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03937	6.8
55.01867	6.3
55.05508	42.0
55.85212	1.3
56.96554	5.0
57.03432	13.5
57.07046	2.3
57.96268	1.3
59.04991	2.0
65.03903	2.8
65.27793	1.2
67.05495	30.6
69.03133	1.1
69.03426	11.0
69.07060	10.6
71.01331	1.5
71.04993	10.1
71.52900	1.3
71.53269	1.6
71.72439	1.6
72.08160	1.4
73.02901	1.2
79.05489	35.6
81.03410	100.0
81.07045	39.3
83.04973	51.1
83.08611	31.3
85.02891	3.1
85.06534	4.4
91.05473	35.6
93.07046	21.9
95.04377	2.5
95.04963	40.3
95.08593	17.1
97.02862	4.5
97.06543	7.7
97.10161	8.3
99.04437	4.2
99.08093	3.1
105.07018	25.7
107.04958	7.2
107.08577	13.9
109.06499	9.6
109.10163	7.8
111.04421	2.5
111.08070	10.7
115.05400	2.8
117.07013	1.9
119.08565	21.4
121.06478	5.3
121.10126	9.8
123.04425	3.4
123.08062	8.0
123.11681	3.2
125.05973	2.1
125.09605	6.2
129.06992	10.0
131.08545	12.0
133.06461	5.3
133.10123	12.8
135.07977	1.7
135.11635	3.9
137.05948	3.1
137.09622	3.2
139.11134	2.1
141.05367	1.4
142.07724	4.0
143.08453	1.4
145.10109	2.8
146.99661	1.5
147.07979	3.3
147.11681	15.9
149.05934	2.1
149.09653	8.3
151.02133	2.0
151.03853	2.7
151.07556	7.0
151.11206	1.8
153.07040	1.6
155.08534	3.1
157.10139	14.2
165.05519	2.5
165.07008	2.3
165.09138	3.1
165.12772	6.0
167.07022	11.2
167.10660	2.1
168.07762	2.1
168.09300	2.2
169.10126	3.9
175.11174	15.3
175.14809	2.0
179.07077	3.3
181.08611	1.7
181.10110	1.9
181.12288	1.4
183.06534	3.3
183.08078	1.9
183.11728	2.0
193.04910	3.2
193.08537	4.2
193.12225	36.0
193.15822	1.5
194.73914	1.4
205.98787	1.5
211.05869	3.8
211.07582	3.0
211.09261	1.3
211.11079	5.5
211.13266	14.8
211.14894	3.1
211.16696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05511	4.1
56.96540	1.3
57.07049	3.6
65.35400	0.8
67.05489	1.9
69.03411	1.1
69.07068	9.7
70.06564	1.0
71.52288	1.0
79.05506	5.8
80.34737	0.8
81.07034	2.4
83.08591	3.0
88.07631	2.6
91.05482	9.6
93.07034	5.5
95.04958	2.1
95.08588	2.3
103.05426	1.5
105.07024	58.0
107.04909	1.5
107.08581	7.5
111.80477	1.0
115.05421	2.4
116.86913	0.9
117.07027	3.1
119.04931	1.2
119.08573	47.6
120.08900	1.3
121.10136	8.1
123.04388	1.2
124.81020	1.0
128.06206	9.2
129.07001	8.6
131.08551	3.7
133.10158	5.1
135.11613	1.0
139.07545	2.1
141.06956	3.0
142.07770	17.8
143.08548	46.0
144.09050	0.9
145.10112	3.8
151.03947	1.7
152.04640	1.9
155.07292	1.1
155.08508	5.5
156.09323	14.2
157.10120	53.3
158.10730	2.0
159.11617	1.6
165.07027	1.7
167.07031	0.9
169.10139	4.1
170.10854	4.9
171.11670	49.7
172.08821	1.3
172.12276	1.7
172.17000	1.9
180.09309	1.2
183.02853	1.6
183.07994	1.5
183.11679	5.6
184.12469	3.2
185.13226	8.1
195.06505	28.9
195.11650	1.4
196.06947	1.2
198.05202	1.7
198.10327	1.3
198.14032	5.2
211.14494	0.9
213.05440	0.9
213.07492	2.0
213.12755	8.6
213.16362	100.0
214.16681	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	211.0963
Annotation	Cladobotrin IV
Peak:m/z	Relative Intensity
50.86003	1.2
53.03931	5.5
55.01640	2.0
55.01867	26.0
55.05501	16.2
56.96562	9.3
57.03408	4.1
60.50402	1.3
65.03930	7.1
67.05499	39.4
68.04996	1.3
68.99770	1.8
69.03426	29.1
69.07043	6.0
69.69367	1.3
70.71596	2.6
70.71995	2.4
71.01354	8.8
71.04981	6.6
76.19082	1.3
77.03877	2.0
79.05487	13.9
81.03411	18.2
81.07047	22.5
83.01337	9.7
83.04978	11.0
83.08601	2.5
85.02872	2.0
91.05466	22.3
93.03387	6.1
93.07033	17.7
93.65650	1.5
95.04956	55.0
95.08591	15.3
97.02860	5.1
97.06521	3.7
99.04424	5.3
101.02356	3.5
103.05453	2.4
105.03349	4.2
105.04535	1.7
105.07020	10.5
107.04931	3.6
107.08596	6.1
109.02882	6.5
109.06521	7.8
109.10130	7.5
111.04409	4.4
111.08058	4.1
113.02345	8.2
113.06066	1.8
115.05381	1.6
116.00111	1.4
117.01829	4.2
117.07002	3.8
119.04931	2.9
119.08575	18.3
121.06504	13.0
121.10078	2.0
123.04414	51.5
123.08021	12.4
123.11671	3.7
125.02334	17.1
125.05989	2.1
125.09594	2.0
127.03882	2.9
128.06190	3.0
129.06985	9.8
131.08539	2.9
133.02809	4.9
133.06430	2.7
133.10114	3.5
134.99657	1.4
135.08038	1.8
135.11656	2.3
137.05925	4.1
137.09566	3.5
139.03883	9.0
139.07558	1.5
141.05423	1.4
141.06816	1.8
141.09128	1.5
143.03427	8.2
147.08029	11.2
147.11714	3.3
149.05939	1.4
150.03136	1.7
151.03889	100.0
151.07503	7.6
151.11058	2.7
153.05469	2.8
153.06790	1.2
153.09077	1.7
155.03357	5.9
155.08519	3.5
157.06396	2.7
157.10086	3.2
158.99652	1.3
162.06747	1.8
165.05426	3.3
165.09071	10.3
165.12819	1.9
167.06996	4.6
168.07806	1.7
168.09413	1.7
169.03552	2.9
169.04945	45.9
169.10088	3.7
174.02541	4.8
175.07492	5.3
175.11208	2.0
175.14702	1.8
179.01692	2.5
179.07010	2.4
181.04921	1.4
183.06445	3.9
183.11707	2.4
188.02251	3.6
190.52441	1.3
193.04887	3.3
193.06874	2.1
193.08597	34.4
193.10323	2.4
193.12216	5.1
197.02829	2.8
205.98831	2.0
211.06026	2.8
211.07771	3.4
211.09595	87.4
211.13031	3.4
211.14888	3.1
212.10080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02392	1.2
53.03930	5.0
55.01864	8.0
55.05506	44.7
56.96568	2.5
57.03433	16.0
57.07044	1.6
59.04974	3.3
65.03915	2.1
67.05496	34.5
69.03423	12.1
69.07065	13.3
70.06573	1.9
71.04990	9.8
71.52984	1.1
71.53342	1.3
73.02888	1.4
75.23674	1.1
79.05014	1.7
79.05482	39.1
81.03410	100.0
81.07047	43.5
83.04973	56.6
83.05434	1.2
83.08611	32.8
85.02891	3.2
85.06516	5.1
91.05474	35.6
93.07034	26.4
95.04956	34.8
95.08602	16.6
97.02870	4.4
97.06523	8.2
97.10147	7.7
99.04424	3.2
99.08050	3.4
103.05448	1.2
105.07018	28.1
107.04962	9.2
107.08576	12.0
109.02862	1.6
109.06509	12.4
109.10178	6.0
111.04420	2.9
111.08060	13.6
113.05979	2.9
115.05370	2.6
116.98563	1.2
117.07018	2.6
119.04897	2.4
119.08572	23.9
121.06483	5.2
121.10116	9.8
123.04388	4.3
123.08060	6.8
123.11679	3.8
125.05975	2.1
125.09608	4.8
127.03892	1.5
129.06990	13.8
131.08559	12.7
133.06477	5.0
133.10133	12.9
135.04391	1.5
135.07997	1.5
135.11661	2.5
137.05965	2.4
137.09615	4.8
139.03876	1.2
139.11147	1.3
141.06992	1.7
142.07758	4.1
145.10089	2.2
147.08072	6.0
147.11693	16.7
149.05971	2.2
149.09637	6.1
151.03854	2.0
151.07520	7.1
151.11157	2.6
153.05522	1.5
155.03319	1.2
155.08487	2.9
157.10118	17.1
165.01920	1.8
165.05472	2.3
165.09154	2.7
165.12715	3.7
167.07043	12.2
167.10632	2.2
168.05634	1.5
168.07709	1.6
168.09274	1.3
169.10088	3.2
175.11157	15.6
179.01662	1.8
179.07014	2.4
181.06514	1.3
181.08565	2.0
181.10114	2.3
183.02940	3.0
183.06499	4.6
183.07945	1.4
183.11613	3.0
193.04942	4.8
193.08614	3.0
193.10428	1.7
193.12218	34.9
193.15884	1.6
196.08778	1.5
196.12378	1.1
211.05875	5.8
211.07547	2.3
211.09416	2.1
211.11166	3.1
211.13242	12.9
211.14856	3.9
211.16669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03938	7.1
55.01865	23.1
55.05267	1.1
55.05502	12.4
56.96548	3.2
57.03422	2.8
65.03930	8.3
67.05497	39.6
68.05001	1.1
69.03422	27.8
69.07038	4.3
71.01352	10.0
71.04968	3.6
77.03893	1.6
79.05482	12.5
81.03409	13.0
81.07043	18.3
83.01334	10.2
83.04976	6.6
83.05380	1.2
83.08585	5.0
85.02890	2.8
85.06511	1.4
86.09683	1.4
88.99725	1.1
91.05471	19.2
93.03400	5.0
93.07031	12.3
95.04957	56.8
95.05571	2.7
95.08591	15.4
97.02866	3.8
97.06509	1.9
98.20717	2.4
99.04411	2.1
101.02360	4.1
101.68677	1.1
103.05462	1.8
105.03355	4.3
105.04471	1.7
105.07017	12.4
107.04921	4.3
107.08576	5.4
109.02851	6.3
109.06494	6.1
109.10131	4.3
111.04414	2.5
111.08036	2.1
113.02344	6.2
117.01797	5.1
117.06986	2.5
119.08574	14.6
121.02876	1.1
121.06491	8.2
121.10120	2.3
123.04413	53.0
123.08035	10.6
123.11600	1.6
125.01487	1.4
125.02345	14.1
125.09623	1.9
127.03875	3.8
129.07001	8.1
132.05679	2.0
133.02809	6.6
133.06454	2.0
133.10133	2.1
135.08003	2.2
137.02290	1.6
137.05933	3.7
137.09552	3.9
138.03008	1.2
139.03886	8.5
139.07512	1.5
141.05437	1.2
143.03368	5.9
147.04401	1.9
147.08052	9.1
147.11610	2.2
149.05981	2.2
149.09615	1.3
150.03046	1.6
151.03885	100.0
151.07510	5.5
151.08557	1.4
151.11206	1.6
153.05370	1.3
155.03386	5.4
155.08484	1.8
157.06433	3.0
164.04684	1.4
165.05437	1.7
165.09084	7.5
167.07001	5.4
167.08467	1.5
168.07646	1.1
168.09198	1.2
169.04939	51.6
169.10049	2.4
175.07515	3.4
175.11143	1.3
178.06105	1.5
181.08641	1.2
181.10066	1.4
183.06511	2.1
183.11685	1.4
193.04892	4.4
193.08583	31.6
193.10313	2.2
193.12207	3.0
211.05998	3.3
211.09613	90.1
212.09998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	3.4
55.01861	13.0
55.05270	1.4
55.05505	16.1
56.96555	1.5
57.03424	2.8
57.07067	13.8
59.04975	1.5
62.67479	1.0
65.03934	4.9
67.05490	12.9
69.03423	76.7
69.07060	11.2
70.06568	2.6
70.47293	1.1
71.04987	7.4
71.52637	1.9
75.04470	1.1
77.03897	1.2
78.04694	1.6
79.05486	24.7
79.84180	1.2
81.03404	2.9
81.07047	20.8
83.04502	1.4
83.04974	26.5
83.06080	1.7
83.08605	15.1
84.04483	1.9
84.08157	2.0
85.02927	2.5
85.06555	7.7
86.09673	1.2
89.03896	2.7
91.05471	28.2
93.03391	5.3
93.07025	20.7
95.04955	20.9
95.08599	14.0
97.06512	9.1
97.10143	1.3
99.04433	3.1
99.08091	1.7
103.05457	12.1
104.77201	1.2
105.07023	15.4
106.04167	10.6
107.04958	10.0
107.08581	55.9
109.06503	21.4
109.10143	9.1
110.03659	1.9
111.04428	2.7
111.08061	10.0
117.03385	2.4
117.07003	4.9
119.04913	3.7
119.06022	1.2
119.08559	8.2
121.02812	1.9
121.06492	26.4
121.09356	1.1
121.10126	29.6
121.61467	1.7
123.04417	2.3
123.08030	9.3
123.11703	10.1
124.05249	1.5
125.05984	5.9
125.09615	63.7
129.06967	2.0
131.04903	5.5
131.08549	21.9
133.06488	1.2
133.10120	13.2
134.03603	2.0
135.04391	4.9
135.08046	19.3
135.11681	8.8
137.05972	4.4
137.09627	2.9
137.13293	1.5
138.03165	1.3
138.09074	1.7
139.07498	3.8
139.11174	1.5
143.08562	2.5
145.02782	2.2
145.06415	1.4
145.10094	11.8
147.04332	4.1
147.08022	1.8
147.11671	6.8
148.05124	2.6
149.02289	5.9
149.05981	21.9
149.09602	30.1
149.13237	14.0
150.10329	1.8
151.07524	3.0
151.11192	9.4
153.05417	7.8
153.09093	18.0
158.10886	4.4
159.04366	1.2
161.09584	1.5
163.03868	10.6
163.07520	4.9
163.11165	11.7
163.14819	5.8
165.05487	2.1
165.06828	1.3
165.12730	11.3
166.02618	1.4
166.06186	1.7
167.03320	1.2
167.07018	4.7
167.10667	1.8
167.14310	11.2
173.09563	2.1
173.13248	18.2
175.74377	1.1
176.12018	2.0
177.05461	18.9
181.04916	6.0
181.08527	5.5
191.03470	1.6
191.06964	6.7
191.10693	7.5
191.14290	84.0
192.14691	1.5
194.02049	8.5
194.05713	2.7
203.03987	1.6
209.04446	33.8
209.07985	13.3
209.09770	2.8
209.11766	9.3
209.15347	100.0
210.15646	1.6
221.04993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.06
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
53.03952	1.4
53.36641	0.5
55.01869	0.9
55.05511	0.9
56.30133	0.4
56.96566	0.8
57.03439	2.6
65.03943	1.0
67.01860	2.8
67.05491	2.6
68.99774	4.6
69.03432	1.0
69.07059	0.5
69.45112	4.5
70.06602	1.4
72.08163	2.3
72.68649	0.5
77.03945	0.8
79.05484	3.8
79.57114	0.5
81.03407	3.1
81.07053	1.8
83.01352	0.7
83.04969	3.0
84.08154	1.3
85.02896	23.1
91.05469	9.2
93.07038	1.7
95.04964	5.4
95.08619	1.4
97.05891	0.5
97.06525	1.0
103.05485	1.1
105.03382	4.8
105.07030	1.4
107.04952	2.3
107.08601	0.8
109.02862	9.2
109.06516	1.5
109.07654	0.6
109.10133	1.1
109.62615	0.5
111.00830	0.7
111.04454	0.5
119.04935	4.9
119.08573	1.1
120.08090	0.7
121.02819	0.7
121.06516	1.9
123.04419	19.5
123.08113	0.6
123.09150	0.5
125.05987	2.0
127.03910	4.1
133.02884	3.0
135.04395	0.7
137.05977	3.0
137.09665	0.7
139.03839	0.8
141.05469	1.5
147.04391	20.9
147.11652	0.6
149.05972	2.0
150.06699	0.5
151.03888	43.6
151.07515	3.0
152.04243	0.9
163.03998	0.8
163.97716	0.7
165.05469	19.2
165.06868	1.4
165.09132	2.1
166.06210	0.8
167.07022	10.1
168.07906	1.0
169.04921	4.7
169.08575	0.8
175.03886	9.3
179.01601	0.6
179.07045	2.1
181.08583	2.1
183.06413	0.9
193.04945	100.0
193.08600	2.1
194.05304	2.3
196.07300	0.9
205.98830	0.6
211.05983	38.5
211.09312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03919	1.0
55.01847	2.4
55.05509	3.5
57.07073	3.8
59.04981	0.7
65.03925	0.7
67.05515	3.1
69.03407	1.3
69.07043	2.7
70.20068	1.6
71.04978	2.2
75.04501	0.6
79.05484	4.7
81.07047	6.1
83.04972	4.8
83.08634	3.0
85.02898	0.8
91.05476	5.0
93.03385	1.1
93.07028	5.4
95.04955	7.1
95.08583	5.3
97.06516	1.7
98.20837	0.7
99.04427	1.2
103.05465	2.1
105.07030	3.2
106.04172	3.0
107.04951	0.9
107.08569	5.0
109.06505	100.0
109.10154	7.3
110.06856	1.0
111.08045	2.7
117.03368	1.2
117.07011	0.7
119.08563	1.6
121.06464	4.8
121.10120	3.2
123.08038	8.7
123.11664	1.1
125.05982	1.6
125.09626	1.3
129.07108	0.6
131.04913	1.3
131.08551	4.3
133.10086	3.0
135.08037	19.2
135.11681	0.6
139.11168	0.9
143.08603	0.6
145.10062	1.6
147.11653	1.3
148.05211	0.6
149.05986	4.0
149.09630	4.1
149.13251	1.9
150.10388	0.8
151.11156	4.7
153.05518	0.7
153.09096	5.5
158.10843	0.9
158.91020	0.5
159.04410	0.6
161.09656	0.8
163.07520	0.7
163.14842	0.7
165.12749	1.2
167.07025	0.9
167.14352	2.9
173.13219	4.1
176.11978	0.6
177.05486	2.8
191.07085	0.7
191.14299	20.5
209.04384	1.0
209.08067	2.1
209.09796	0.6
209.11632	0.5
209.15338	10.2
224.91003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	7.9
55.01866	32.1
55.05507	54.6
55.15191	1.4
55.86369	1.2
57.03431	1.6
57.07066	3.5
59.04996	2.3
63.52323	1.2
65.03929	7.5
65.12910	1.4
67.05492	13.6
69.03421	9.6
69.07056	11.5
69.82764	5.6
69.83174	2.4
71.04980	9.1
74.22553	1.3
75.04477	4.2
75.63560	1.2
77.03918	1.4
78.04692	5.2
79.05489	19.0
81.03409	4.5
81.07044	20.4
83.04973	75.4
83.08611	29.0
85.02898	3.8
85.06551	2.4
89.03913	5.4
91.05463	32.8
91.79260	1.6
93.03384	11.5
93.07030	30.3
95.04958	100.0
95.08592	19.3
97.06525	9.5
97.10153	5.1
99.04448	16.6
99.08073	3.7
103.05446	17.5
105.04495	2.9
105.07023	11.3
106.04160	33.8
107.04932	7.8
107.08574	30.8
109.06506	14.3
109.10153	16.7
109.89513	1.4
111.04430	4.0
111.08060	8.4
113.09644	2.1
115.05460	1.5
117.03369	5.5
117.07005	4.1
118.04211	2.3
119.04914	4.5
119.08548	4.6
120.05706	2.9
121.06488	47.8
121.10121	19.8
123.04422	4.8
123.08054	6.6
123.11713	8.1
125.05975	9.9
125.09621	12.3
130.07802	1.4
131.04918	10.4
131.05791	1.8
131.08514	6.9
133.02847	2.0
133.10115	11.0
134.03601	8.4
135.04375	3.9
135.08054	10.3
135.11656	10.4
135.26051	1.4
137.05995	4.4
139.07532	3.7
139.11192	2.0
145.02844	8.1
145.10086	8.9
147.04391	4.5
147.11710	3.2
148.05176	8.5
149.05963	56.4
149.09541	7.4
149.13235	11.2
151.03856	2.3
151.07484	1.6
151.11160	51.7
153.05508	6.8
153.09100	24.7
154.65381	1.5
159.04478	1.7
163.03865	2.6
163.07524	9.8
163.11140	6.8
163.14810	3.2
165.06979	1.4
165.12659	2.1
166.06250	5.0
167.03365	2.0
167.07054	4.0
167.10634	1.8
167.14302	53.8
170.10886	1.4
173.13269	9.0
176.04619	2.1
177.05464	36.4
178.54131	1.9
181.04964	2.1
181.08591	9.2
191.07018	16.6
191.14268	18.8
192.10066	1.5
194.05696	5.1
209.04643	6.8
209.08067	33.4
209.09891	2.8
209.11618	3.4
209.15337	35.1
217.24083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	1.1
55.01874	3.1
55.05508	3.9
55.35222	0.5
57.03424	0.6
57.07067	3.9
65.03925	0.9
66.33678	0.5
67.05504	4.2
69.03407	1.6
69.07056	2.6
69.50032	1.2
69.50432	4.2
71.04978	2.5
74.92616	0.5
78.04678	1.1
79.05487	4.4
81.07047	5.4
83.04975	4.1
83.08607	2.0
85.02876	0.6
85.06560	1.0
88.49253	0.7
91.05480	6.3
93.03393	1.4
93.07041	6.8
93.39330	0.6
95.04959	7.0
95.08598	5.6
97.06536	1.8
98.21516	1.1
99.04456	0.9
103.05487	1.3
104.47487	0.5
105.07033	3.9
106.04153	4.1
107.04956	0.7
107.08590	6.7
109.06507	100.0
109.10144	8.7
110.06876	0.8
111.08063	2.6
117.06995	1.3
119.04906	1.1
119.08574	2.0
121.06514	6.0
121.10130	3.8
123.08052	9.1
123.11680	1.1
125.05989	1.4
125.09621	1.3
131.04883	0.6
131.08546	6.2
133.06499	0.8
133.10135	4.0
134.03658	1.0
135.08047	21.6
135.11659	0.9
137.06018	0.6
139.07458	0.7
145.10112	1.9
147.11690	1.3
148.08823	0.8
149.05978	5.0
149.09616	2.6
149.13257	1.9
150.10309	0.8
151.07509	0.7
151.11163	2.6
153.09106	4.6
158.10826	0.6
163.11139	0.8
165.12764	0.9
167.14326	3.0
171.84979	0.7
173.13260	5.8
177.05495	2.9
181.08577	1.4
191.07031	1.2
191.14294	16.5
209.04382	2.7
209.08009	1.5
209.15337	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00294	0.8
53.03947	6.6
55.01869	18.1
55.05505	10.6
57.03418	3.0
57.07059	3.5
59.04985	1.3
61.02905	1.0
62.57276	0.8
65.03937	9.4
67.05498	9.8
68.99787	1.1
69.03416	3.2
69.07059	9.2
70.06569	0.8
70.25004	0.9
71.04992	5.4
71.27959	1.8
75.04477	8.7
77.03899	1.5
78.04704	9.5
79.05486	14.3
81.03412	3.6
81.07051	14.6
82.04184	1.4
83.04969	12.4
83.08609	5.6
84.08128	1.5
85.02903	7.5
85.06513	2.7
88.50842	0.9
89.03889	4.1
89.06026	1.5
91.05472	40.1
93.03395	19.7
93.07036	31.2
94.04187	0.9
95.04372	1.8
95.04958	29.3
95.08602	8.1
97.02876	1.9
97.06520	12.5
99.04442	4.8
99.30343	0.8
103.05457	21.1
105.03381	2.3
105.04506	2.7
105.07018	13.5
106.04163	52.4
107.04981	7.5
107.08582	32.4
107.09309	1.8
108.05737	1.8
109.02896	1.1
109.06509	14.2
109.07609	1.1
109.10147	7.7
110.03658	1.8
111.04440	4.1
111.08064	3.5
113.09700	1.2
115.05426	1.2
117.03387	4.2
117.07053	4.8
118.04180	1.4
119.04919	4.3
119.08558	11.4
121.06491	65.2
121.10107	13.5
122.07326	2.0
123.04422	3.3
123.08075	6.8
123.11684	1.9
124.05175	2.6
125.05984	16.7
125.09608	3.5
131.04912	7.4
131.08549	11.2
133.02863	1.6
133.06508	1.6
133.10112	11.4
134.03613	9.2
135.04404	3.3
135.08029	14.0
135.11653	4.1
137.05963	7.7
137.09605	2.4
138.06726	2.6
139.07527	4.1
140.95604	0.9
143.08519	1.0
145.02820	5.3
145.10114	6.2
147.04396	3.1
147.08044	5.9
147.11676	43.7
148.05193	8.0
149.02371	1.5
149.05968	69.7
149.09612	17.8
149.13246	25.3
150.06413	1.2
151.03885	1.5
151.07515	3.8
151.11192	5.2
152.04659	0.9
153.05469	7.0
153.09082	15.6
153.19812	0.9
158.10849	1.4
159.04382	2.3
161.09593	1.7
163.03865	2.8
163.07520	5.9
163.11188	5.4
163.14772	2.1
165.05524	2.1
166.02496	1.1
166.06221	2.7
167.03401	1.2
167.07042	3.9
167.14282	6.8
173.09601	0.9
173.13242	16.6
176.04626	0.9
176.11978	2.3
177.05460	33.8
178.05856	1.1
179.08533	0.9
180.07813	1.2
181.04993	2.6
181.08588	14.2
181.10065	1.7
182.85815	0.9
184.66089	0.9
191.03326	1.0
191.07040	7.4
191.10698	3.5
191.14287	100.0
192.14632	3.2
194.02132	5.8
194.05659	2.4
209.04448	15.5
209.08023	20.1
209.09872	2.0
209.11707	3.3
209.15353	28.5
219.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.6
55.01858	5.8
55.05507	33.6
56.14152	1.7
57.03421	5.7
57.07060	5.5
57.45112	1.6
59.04989	4.2
59.83016	1.6
65.03931	3.0
67.05492	12.3
69.03417	5.8
69.07060	9.9
70.92065	3.7
71.04976	5.6
79.05476	14.7
81.07042	23.7
83.04972	50.4
83.08616	18.4
84.57974	1.5
85.06529	4.8
91.05483	12.9
93.03429	2.2
93.07038	20.9
95.04957	73.3
95.08595	9.3
97.06526	27.5
97.10189	3.3
99.04449	13.4
103.05447	3.8
105.07026	9.7
106.04156	5.0
107.04935	1.9
107.07890	2.1
107.08586	30.4
109.06506	100.0
109.10138	24.7
111.04425	2.2
111.08073	10.9
113.06046	1.6
113.09633	1.7
115.07529	2.0
119.08574	6.1
121.06500	9.5
121.10130	36.9
123.08063	6.1
123.11697	5.7
125.06001	2.8
125.09615	9.4
131.04892	2.3
131.08569	5.6
133.10121	23.9
134.03622	2.3
135.04427	1.5
135.08070	12.1
135.11630	2.8
145.10083	2.6
147.11726	2.7
148.05128	1.8
149.05995	10.1
149.09619	5.1
149.13232	11.9
151.11157	17.0
153.09081	35.6
158.10800	2.2
160.95734	1.8
163.14827	6.4
167.14316	28.6
173.13255	12.8
177.05457	6.0
191.03465	1.8
191.06996	3.4
191.14272	16.6
194.05688	1.8
209.04498	4.9
209.08063	6.1
209.11751	2.1
209.13490	3.0
209.15358	41.1
213.72725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.54788	1.0
53.03934	3.4
55.01870	7.4
55.05507	73.3
57.03433	3.1
57.07061	1.9
57.10358	1.2
59.04988	5.2
65.03938	1.3
67.05491	11.8
69.03434	7.5
69.07066	8.1
70.65010	4.3
71.04979	4.9
71.54008	1.1
79.05471	7.8
81.07049	17.9
82.85112	1.2
83.04973	100.0
83.08615	33.5
83.09113	1.7
84.05328	1.3
85.06534	3.9
87.04459	1.2
91.05486	9.8
93.03400	3.1
93.07032	13.3
95.04962	22.7
95.08603	11.5
97.06519	14.7
97.10184	8.0
99.04452	3.7
99.08054	1.9
103.05451	4.6
105.07034	10.4
106.04164	6.2
107.06082	1.1
107.08587	29.6
108.05717	1.3
109.06504	35.5
109.10152	27.5
109.16258	1.1
111.04434	2.0
111.08083	9.4
119.08571	4.3
121.06504	9.9
121.10133	17.4
123.04453	1.2
123.08067	5.1
123.11681	12.1
125.05946	2.5
125.09628	12.5
131.08577	4.8
133.10098	14.2
134.03590	1.5
135.08073	7.0
135.11696	5.4
137.06009	1.6
137.09587	2.8
139.07555	6.3
139.11162	1.5
145.10159	2.4
147.04324	1.3
147.11684	2.6
148.05191	1.8
149.05981	10.1
149.09621	4.6
149.13255	12.6
151.11166	35.6
153.05409	2.4
153.09111	13.3
163.07530	1.9
163.14822	3.2
165.05609	1.2
165.12740	1.8
167.07043	4.5
167.14305	65.1
173.13243	7.6
177.05402	6.0
191.06958	1.8
191.14259	7.4
194.02110	2.6
209.04472	6.4
209.08080	5.3
209.11653	1.5
209.15335	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02358	1.0
53.00291	0.7
53.03939	7.1
53.72648	0.7
55.01867	12.7
55.05495	2.9
56.78407	0.8
57.03419	2.3
58.93416	0.8
65.03934	13.6
65.81257	0.8
67.05486	5.1
69.03407	1.6
69.07043	1.3
70.86269	1.5
71.04975	1.3
75.04470	13.4
77.03925	1.7
78.04700	15.1
79.05480	9.0
80.14192	0.8
81.03400	2.5
81.07055	4.2
82.04183	1.9
83.04966	4.5
83.08627	1.0
85.02895	10.0
85.06543	1.2
89.03909	7.4
89.06007	3.4
91.05470	48.2
93.03395	29.6
93.07030	16.0
95.04956	23.6
95.08562	2.0
96.05721	1.5
97.06525	12.3
99.04465	0.7
102.04663	1.2
103.05454	22.0
103.06150	1.3
105.03389	2.5
105.04477	4.0
105.07027	3.6
106.04158	88.5
107.04981	4.4
107.08577	2.8
108.02116	0.8
108.05708	2.2
109.06500	7.3
109.10152	1.1
110.03604	1.6
110.07308	1.0
111.04433	3.0
111.08027	1.8
115.05490	0.8
116.60036	0.9
117.03367	5.2
118.04118	2.0
119.04946	5.4
120.05737	1.3
121.06490	90.6
121.10119	1.9
122.07325	2.0
123.04411	4.3
123.08057	4.4
124.05200	3.3
125.05973	24.7
131.04909	7.7
131.05907	1.1
131.08600	1.4
133.02824	1.7
133.06470	1.2
133.10130	1.5
134.03609	14.9
135.04433	4.0
135.08038	1.7
137.05949	11.1
138.03116	1.1
138.06726	4.9
139.07518	5.1
145.02837	6.7
145.10071	0.9
145.88512	0.9
147.04391	2.1
148.05168	8.1
149.05962	100.0
149.13289	1.0
150.06407	1.7
151.03894	2.8
151.07532	5.2
151.11142	1.2
152.04575	0.9
152.08304	1.3
153.05453	7.0
153.07924	1.6
153.09079	19.5
159.04417	1.9
162.03137	1.1
163.03860	2.2
163.07561	5.0
165.05447	2.9
166.06232	3.5
167.07002	3.6
167.14340	2.1
173.13243	0.9
176.04663	2.1
177.05447	40.2
180.07953	0.9
181.08580	19.4
181.10197	1.0
191.07027	5.4
191.14313	1.7
194.05672	0.9
209.04437	1.3
209.08060	20.2
209.09930	1.1
209.11343	0.9
209.15324	4.1
210.19118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	5.0
55.01867	30.9
55.05518	4.2
57.03427	1.7
65.03928	3.7
66.61161	0.9
67.05498	2.3
69.03413	1.7
69.07066	1.2
75.04465	3.1
78.04700	3.6
79.05486	5.6
81.03410	2.2
81.07043	3.0
83.04980	4.8
83.08601	2.2
85.02899	3.9
85.06544	1.1
89.03910	9.7
91.05476	31.5
93.03401	8.9
93.07040	12.1
95.04958	17.9
95.08604	2.3
97.06516	2.9
99.04425	1.6
100.11245	0.9
103.05460	25.4
105.03352	1.3
105.04527	1.8
105.07007	2.2
106.04162	21.9
107.04955	7.7
107.08587	4.5
109.06506	6.9
109.10164	2.4
111.04428	2.2
111.08074	1.2
117.03362	9.9
118.04190	1.7
119.04912	6.7
119.08607	1.0
120.05708	2.0
121.02920	1.1
121.06493	41.8
121.10135	1.6
123.04407	2.7
123.08070	1.3
125.05987	4.9
130.04158	1.0
131.03932	1.3
131.04921	25.9
131.08531	1.2
133.06488	1.0
133.10155	2.3
134.03609	11.9
135.04439	5.3
135.08070	2.4
135.11722	1.7
137.05966	2.8
137.09563	0.8
138.03093	1.1
138.06766	1.1
139.07541	1.7
145.02840	12.4
145.10187	0.9
146.04590	0.9
147.04370	6.1
147.77417	0.9
148.05185	7.1
148.17619	0.8
149.05971	53.8
149.09555	1.5
149.13239	1.8
149.81850	0.8
151.03938	1.9
151.11180	2.4
153.05479	4.4
153.09103	7.0
159.04416	13.3
159.05608	1.7
163.03903	4.4
163.07521	5.5
163.14827	1.4
166.06230	2.9
167.07079	2.5
167.14325	3.4
173.13188	1.1
176.04712	1.6
177.05458	100.0
178.05984	2.3
181.05016	1.7
181.08562	7.3
191.07005	13.4
191.14343	2.7
193.04942	1.5
194.05634	1.2
196.11115	0.9
209.04512	2.6
209.08055	20.6
209.09929	1.0
209.11595	1.4
209.15361	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	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.63961	0.5
53.03934	4.0
53.42748	0.5
53.95532	0.5
55.01864	21.7
55.05503	36.1
55.78892	0.6
57.03425	5.7
57.07062	2.0
60.27339	0.5
65.03926	4.6
67.05495	48.8
68.05839	0.8
69.03413	6.2
69.06676	1.0
69.07056	20.5
69.87690	2.8
69.88097	0.9
71.04981	8.3
73.02910	4.5
77.03936	0.7
78.04669	0.6
79.05482	74.5
80.05823	0.7
81.03402	7.4
81.07043	51.4
82.07390	1.1
83.01334	1.2
83.04972	14.3
83.08606	19.2
85.02895	1.4
85.06524	1.8
89.03947	1.0
91.05466	31.0
92.05813	0.6
93.03374	2.6
93.07030	98.1
94.07372	1.3
94.86198	0.5
95.04953	21.6
95.08591	100.0
97.02879	8.0
97.06517	8.6
97.10150	1.8
99.04441	9.8
99.08043	0.8
99.30886	0.5
103.05444	6.9
105.04515	1.6
105.07015	20.1
106.04164	2.1
107.04201	1.2
107.04936	24.5
107.08577	63.1
108.08927	0.7
109.02832	0.7
109.06503	7.5
109.10145	7.3
111.04430	4.0
111.08082	2.9
113.06014	1.4
113.09614	0.8
115.05430	1.9
116.06212	0.7
117.03349	1.1
117.06998	22.0
117.95975	1.0
119.04886	0.7
119.08561	18.9
121.06485	19.4
121.10128	20.6
123.04378	0.9
123.08047	2.2
123.11671	1.5
125.05963	5.5
125.09559	1.3
127.07520	0.6
128.06187	0.7
129.07018	1.6
130.07776	7.2
131.04915	2.4
131.08553	1.9
133.06453	0.7
133.10124	6.4
134.03606	1.6
135.04442	0.7
135.08047	7.4
135.11671	74.1
136.11987	1.4
137.09595	0.6
139.07532	3.1
143.08536	2.0
145.02827	1.2
145.06488	1.6
145.10103	51.9
146.10519	0.7
146.97607	0.5
147.04393	0.8
147.08009	0.8
148.05157	1.5
149.05984	5.7
149.09645	1.7
149.13261	2.1
151.11159	1.6
153.05501	1.7
153.09096	2.4
153.12730	1.1
155.08562	1.0
163.03922	1.1
163.07518	2.3
163.11160	57.1
163.14850	1.4
164.11510	1.1
165.12758	0.7
166.06287	0.6
166.07718	0.7
167.14328	1.8
173.09648	1.0
173.13264	1.5
173.87328	0.6
176.04742	1.0
177.05479	9.4
181.08519	1.2
181.10066	0.5
181.12173	2.8
190.70605	0.5
191.06946	3.5
191.10674	1.2
191.14287	2.8
194.05708	1.1
209.04390	2.0
209.08014	3.9
209.09732	1.0
209.11574	1.1
209.13416	1.0
209.15314	9.4
227.12801	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	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.12205	0.3
53.03932	0.9
55.01869	2.2
55.05502	1.3
56.95794	0.2
56.96543	0.4
57.03431	6.7
57.07056	0.4
59.04976	0.4
65.03927	0.4
67.05491	1.0
69.03413	0.6
69.07055	0.8
70.06583	0.7
70.21127	0.9
71.04985	0.6
72.08145	0.5
74.91850	0.2
79.05476	1.9
81.03398	0.4
81.07050	1.7
83.04982	2.0
83.08614	0.4
84.08140	0.5
85.02878	0.5
91.05461	1.8
93.07027	1.9
95.04963	3.1
95.06031	0.3
95.08596	1.2
97.02851	0.3
97.06506	0.6
97.10187	0.3
99.04443	0.4
99.20014	0.3
100.63979	0.3
103.05442	1.2
105.07030	1.0
106.04153	0.6
107.04942	100.0
107.08577	1.8
108.05266	1.2
109.06499	2.2
109.07629	0.4
109.10137	1.1
111.04412	0.6
111.08076	0.6
111.09222	0.4
117.03388	0.5
117.07062	0.4
119.01510	0.3
119.04896	0.5
119.08577	0.6
120.08075	0.4
121.02814	0.5
121.06477	2.1
121.10101	1.6
121.61500	0.4
123.04472	0.4
123.08076	0.5
123.11691	0.4
125.05957	0.6
125.09602	0.6
131.04918	0.9
131.08588	0.4
133.10129	0.5
134.03653	0.4
135.04396	0.9
135.08063	1.1
135.11676	0.4
137.05969	0.4
138.03117	0.3
139.03871	0.6
139.07536	0.4
139.11172	0.3
145.02827	0.5
145.10120	0.6
147.04448	0.6
147.11595	0.4
148.04890	0.4
149.02322	0.3
149.05977	2.2
149.09573	1.0
149.13216	0.5
151.07510	0.5
151.11165	0.9
153.05461	1.0
153.09100	0.6
162.95871	0.3
163.03894	1.1
163.07542	0.8
163.11127	0.7
163.14842	0.6
167.07036	0.5
167.14293	1.3
173.13295	0.4
177.05493	2.5
181.04985	0.5
181.08549	0.7
191.03372	0.5
191.06970	2.0
191.10672	0.8
191.14322	0.8
194.02133	0.6
194.05742	0.3
209.04466	3.0
209.05986	0.4
209.08006	8.1
209.11600	0.3
209.13551	0.5
209.15384	4.6
209.17105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03937	8.9
55.01866	13.7
55.05498	5.8
57.03424	4.2
65.03658	1.5
65.03933	14.7
67.05495	7.9
69.03417	2.3
69.07056	2.7
70.77274	4.1
70.77628	1.4
71.04981	3.8
75.04466	9.8
77.03938	2.1
78.04700	15.2
79.05482	11.7
81.03407	4.1
81.07047	6.5
83.04977	8.2
83.08617	3.2
85.02888	9.9
85.06535	2.3
89.03911	5.6
89.06020	3.5
89.43535	1.2
91.04899	2.7
91.05467	53.8
93.03393	29.3
93.07030	22.1
93.36440	1.2
94.04180	2.5
95.04955	43.2
95.08598	2.7
97.06505	14.0
98.97577	3.7
99.04442	4.9
103.05457	25.6
105.03396	3.4
105.04498	4.4
105.07016	5.3
106.04161	89.3
107.04953	8.2
107.08573	5.4
107.13007	1.1
108.05730	2.6
109.06496	15.5
109.10136	4.6
110.07259	1.8
111.04447	3.8
117.03375	4.6
118.04124	1.4
119.04926	6.4
120.05698	2.2
121.02843	1.3
121.06487	87.5
121.10148	5.3
122.07351	1.3
123.04434	4.3
123.08052	6.0
124.05155	2.9
125.05982	19.0
125.09633	2.0
131.04890	8.6
131.08517	1.5
133.02873	3.0
133.06508	1.6
133.10123	4.2
134.03612	15.5
135.04410	6.1
135.08029	5.6
137.05959	16.1
138.06761	3.9
139.07518	6.4
145.02805	6.3
145.06473	1.6
145.10068	1.4
147.04396	4.6
148.05156	9.6
149.05962	100.0
149.09566	2.2
149.13277	2.0
151.03893	1.6
151.07539	2.8
151.11180	7.0
152.08348	2.0
153.05475	8.0
153.09073	28.9
158.99709	1.6
159.04323	2.0
163.03864	2.7
163.07538	5.6
163.11127	2.5
165.05423	3.2
165.12733	1.6
166.06248	4.4
167.07043	2.8
167.14313	4.5
173.13284	1.7
177.05446	61.7
181.08562	21.8
191.07014	7.6
191.14305	9.2
194.05682	2.1
209.04420	5.7
209.08076	25.1
209.09947	1.9
209.15335	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	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03937	8.6
55.01865	21.7
55.05505	11.6
57.03424	3.3
57.07069	3.7
59.04985	3.4
65.03931	12.4
67.05487	10.7
69.03413	7.5
69.07062	8.3
69.60361	1.9
69.60770	8.4
71.04978	4.6
74.25555	1.7
74.40359	1.3
75.04457	12.2
77.03901	1.4
77.05323	1.3
78.04700	10.2
79.05488	18.4
80.06261	1.3
80.64649	1.3
81.03409	4.6
81.07035	11.5
83.04964	20.3
83.08607	6.0
85.02888	8.8
85.06508	3.5
89.03911	6.4
89.06006	2.4
91.05470	60.6
93.03395	27.3
93.07030	39.9
95.04958	37.1
95.08598	8.5
97.06508	15.8
99.04447	4.6
103.05449	24.1
104.42758	1.4
105.03388	3.1
105.04503	4.2
105.07029	12.9
106.04158	71.2
107.04964	11.9
107.08576	24.6
109.06506	17.1
109.10128	5.6
111.04425	5.3
111.08065	4.1
115.05484	1.9
117.03353	5.8
117.07001	4.3
118.04141	1.7
119.04935	6.0
119.08560	8.4
121.02882	2.7
121.06489	92.2
121.10114	13.9
121.61504	1.6
123.04401	5.0
123.08063	11.7
123.11691	3.0
124.05239	3.5
125.05978	21.7
125.09622	4.9
130.04118	1.7
131.04918	12.1
131.08553	9.3
133.02843	2.3
133.06459	1.5
133.10138	9.5
134.03618	14.8
135.04424	7.3
135.08029	11.6
135.11664	4.6
137.05959	10.4
137.09628	3.2
138.06715	4.9
139.03879	1.5
139.07521	6.5
145.02840	5.8
145.10097	4.6
147.04393	3.5
147.08014	2.7
147.11682	25.6
148.05191	10.5
149.05959	100.0
149.09612	12.8
149.13269	14.8
151.03824	2.0
151.07521	5.4
151.11159	7.6
153.05460	7.8
153.09064	23.8
159.04411	5.2
162.03050	1.6
163.03885	2.9
163.07541	9.5
163.11189	6.0
163.14825	3.5
165.05423	2.1
165.09053	1.7
165.12730	6.2
166.06265	3.1
167.03293	1.9
167.07036	5.3
167.14320	9.4
173.09651	1.6
173.13263	10.5
176.04706	3.1
176.12015	1.8
177.05447	51.1
180.07831	1.6
181.04938	2.0
181.08565	18.8
181.10017	1.9
191.03383	1.5
191.06982	11.3
191.10704	4.8
191.14288	64.1
193.05075	1.6
194.02094	4.3
194.05682	3.4
209.02609	2.2
209.04414	13.7
209.08052	28.8
209.09883	3.5
209.11636	6.8
209.13480	1.4
209.15338	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01852	2.1
55.05269	0.8
55.05501	10.2
57.03428	0.8
57.07066	3.3
59.04968	1.3
60.64651	0.6
65.03922	0.7
66.43499	0.7
67.05498	15.3
69.03412	2.9
69.06686	0.9
69.07058	16.9
69.91895	2.9
71.04971	0.7
79.05486	8.0
81.07046	24.4
83.04972	27.4
83.08617	5.0
85.06539	0.9
91.05466	13.6
93.07030	16.6
95.04945	3.2
95.08595	28.6
97.05931	1.2
97.06519	16.2
97.10159	2.9
99.08079	0.7
105.07018	21.0
107.04945	0.7
107.08581	19.9
109.06503	17.0
109.10144	19.1
111.08051	8.1
111.11697	1.4
115.41515	0.5
115.96445	0.9
117.06924	0.6
119.04913	2.0
119.08568	14.0
121.10128	6.4
123.08051	40.7
123.11690	6.4
124.08418	0.6
125.09613	19.0
131.08517	1.1
133.06424	0.7
133.10109	24.1
133.97455	1.0
135.11679	4.3
137.05939	1.0
137.09615	8.4
137.13228	2.3
139.11195	0.7
143.08636	0.7
147.04373	2.2
147.11668	18.8
149.02339	0.7
149.09583	1.7
149.13252	8.5
151.07539	1.0
151.11153	16.3
156.09340	0.7
161.05936	1.0
161.13202	5.7
163.11160	0.8
163.14783	4.0
165.12689	3.0
171.11671	1.7
175.03836	0.9
179.06921	0.9
189.12726	1.1
189.16359	23.8
192.04149	1.2
207.06514	6.4
207.13809	3.4
207.17415	100.0
208.17761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03938	4.4
55.01846	4.2
55.05506	40.5
57.07061	4.1
59.04971	1.5
63.02386	1.3
65.03932	2.5
67.05499	12.4
69.03416	2.1
69.07066	36.9
70.13526	5.9
71.04962	3.9
79.05486	14.6
81.07052	25.3
83.04960	3.1
83.08622	9.4
85.06544	2.1
86.18983	1.3
91.05470	28.2
93.07030	22.9
95.04948	7.3
95.08597	50.6
97.06522	18.0
97.10149	19.4
98.20747	1.5
100.93217	1.4
103.05445	12.0
105.07021	32.1
107.08581	23.8
109.06501	13.6
109.10146	22.0
111.08071	24.1
115.05438	6.0
115.96445	1.9
117.06950	3.2
118.04119	4.8
119.04937	15.4
119.08557	18.4
121.06477	4.0
121.10140	13.7
123.04413	3.8
123.08054	44.9
123.11681	17.1
125.09625	8.3
125.10432	1.4
131.04889	5.2
131.08559	1.4
133.06493	8.6
133.10126	23.5
133.11110	2.6
134.21429	1.4
135.04372	1.5
135.11642	11.8
136.05197	5.2
137.05943	2.4
137.09613	14.6
137.13182	2.1
139.11177	2.8
145.06425	2.1
145.10092	2.2
146.03580	5.2
147.04398	14.9
147.11668	20.5
149.02290	3.8
149.09589	1.6
149.13234	11.9
149.47510	1.3
151.07529	8.0
151.11157	9.0
161.05972	14.4
161.09685	1.7
161.13252	7.1
163.03864	1.9
163.07600	1.4
163.14761	7.5
164.04681	4.9
164.11955	1.7
165.12706	5.1
174.03214	2.9
175.03903	5.9
179.06993	5.2
189.05411	4.4
189.12686	2.8
189.16371	36.7
192.04137	4.7
207.06500	50.9
207.13789	6.6
207.17416	100.0
208.06653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44604	0.6
55.01873	0.9
56.05016	0.7
56.96560	5.0
58.99840	2.1
64.59669	0.5
70.94807	1.7
70.95173	0.7
77.00874	1.6
81.03399	3.2
81.95039	0.8
83.06064	0.7
84.96002	0.6
91.05456	0.8
95.01916	1.0
98.97578	3.2
99.05570	0.6
99.16530	0.6
100.02459	1.5
101.00870	1.4
103.02390	1.4
105.00324	1.0
105.06965	0.6
108.04456	0.6
108.08054	0.5
109.02869	3.9
109.07599	0.8
115.02419	1.2
116.02644	0.5
116.98623	4.2
118.01077	1.5
118.03516	1.4
119.01912	10.7
121.01632	2.5
121.03522	0.9
123.97401	0.8
129.03964	1.6
131.01894	6.0
133.03430	2.7
134.99651	5.4
137.02942	6.3
137.09543	0.6
139.02594	2.1
141.03929	1.6
142.03468	1.5
143.01891	0.8
144.03232	2.0
145.03415	1.0
146.99797	1.4
147.05023	2.5
149.00876	1.4
149.02916	2.2
150.10187	0.7
153.00722	0.8
156.00282	1.7
157.03456	11.9
157.04564	0.5
159.03268	0.7
159.03694	0.6
159.05020	5.4
159.06107	0.9
161.02901	1.1
161.05893	0.6
162.03041	2.5
162.04280	1.3
164.24190	0.6
167.01836	5.3
169.01965	0.9
173.02898	1.8
175.04427	4.2
177.00943	4.3
177.05965	1.3
178.00958	0.7
180.05116	1.1
181.04652	0.8
184.01280	0.7
184.04369	0.8
184.05829	0.8
185.02930	100.0
186.03197	2.8
190.03453	2.1
191.99492	0.7
192.98637	0.7
196.04446	0.8
203.02225	3.7
203.03979	45.9
203.07578	2.0
204.04187	1.1
208.04526	25.2
209.04550	1.1
221.03212	1.2
221.05063	1.8
226.05492	4.8
227.03896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.20008	1.6
53.03933	4.1
53.33170	1.6
53.63101	1.5
55.01857	6.0
55.05502	5.7
56.96547	1.9
57.03424	1.9
57.07054	2.1
65.03924	9.9
67.05508	10.3
69.03396	4.5
69.07036	3.9
69.85115	8.1
71.04976	2.7
77.03912	2.7
79.05495	8.8
81.03402	3.9
81.07059	18.9
83.04955	2.2
85.02898	80.1
86.09743	1.8
86.45750	1.6
89.03886	5.0
90.04663	1.9
91.05473	100.0
93.03418	1.9
93.07024	7.6
95.04981	8.3
95.08598	9.9
97.06521	3.4
102.63632	1.9
103.05433	5.3
105.03386	2.4
105.06323	1.8
105.07018	27.6
107.04929	4.1
107.08596	8.9
108.05697	1.7
109.06503	7.1
109.10138	17.6
112.57102	1.9
115.05421	9.3
117.06995	4.5
118.03333	1.9
118.04152	9.2
119.04931	76.6
119.08587	15.2
120.05226	2.3
120.08082	5.8
121.02821	2.4
121.06501	3.1
121.08437	3.9
121.10130	14.0
122.23872	1.6
123.04421	41.7
123.08053	7.6
123.11697	46.1
125.05994	9.6
129.03340	3.0
129.06953	3.1
131.04913	4.6
131.08516	4.0
132.02063	7.3
132.05569	2.1
133.02849	5.7
133.06458	6.6
133.10104	6.1
135.04364	4.3
135.08067	3.9
136.05222	2.6
136.07542	4.3
137.02350	2.2
137.05948	6.5
137.09563	2.1
139.03909	2.0
143.04927	9.2
143.08553	2.7
144.08057	3.9
145.02837	2.1
145.10127	9.5
146.03627	3.8
147.04401	69.7
147.08017	6.2
147.11674	14.3
148.04803	2.1
149.02342	13.9
149.05937	2.5
149.09576	13.0
151.03912	3.6
151.07521	11.8
156.09283	3.8
157.03998	6.5
159.04337	2.8
161.05959	24.8
161.09654	6.2
161.13222	8.9
163.03865	3.8
164.04639	9.8
165.05443	3.0
165.09012	2.2
165.12729	5.7
166.05026	3.3
171.47673	2.0
174.03079	5.8
175.03894	66.5
176.04335	2.9
177.01826	3.6
177.05406	1.7
179.07011	25.1
189.05513	8.2
189.09088	4.2
189.12712	11.7
192.04167	26.9
197.01183	1.9
207.02980	11.7
207.04558	3.4
207.06500	63.9
207.09686	3.8
207.11972	1.6
207.13788	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.4
50.15314	1.3
51.80137	1.1
52.67404	1.3
53.03936	3.9
55.01854	3.4
55.05507	6.5
56.96561	1.6
57.03425	1.6
57.07058	2.6
59.04988	6.5
62.35603	1.2
65.03930	11.5
67.05500	9.7
68.99782	1.3
69.03418	10.1
69.07061	7.4
69.82832	6.3
71.04969	4.2
77.03902	2.9
77.40159	1.2
79.05478	10.1
80.06236	1.6
81.03425	5.9
81.07047	13.1
83.04971	8.9
83.08616	3.2
85.02888	4.3
85.06538	2.1
89.03911	4.0
90.04684	2.2
90.46358	1.1
91.05476	100.0
92.05814	2.6
93.03384	1.6
93.07037	13.1
94.04181	1.5
95.04955	8.5
95.08598	15.3
97.02838	1.2
97.06522	3.6
99.08050	1.3
103.05451	6.7
105.03382	3.4
105.07021	35.8
107.04973	6.0
107.08598	16.8
108.05729	4.2
109.02855	1.6
109.06507	79.3
109.10125	6.1
111.04433	2.3
111.08031	3.4
115.05446	2.9
117.03358	1.9
117.07016	2.7
118.04156	12.3
119.04934	86.1
119.08574	30.5
120.05270	1.9
120.08129	1.7
121.02830	3.7
121.06523	7.7
121.10138	21.7
122.03649	2.4
122.07224	3.4
123.04430	4.7
123.08061	33.3
123.11670	6.3
125.05986	1.3
125.09602	2.9
128.06229	2.6
129.03354	1.8
129.07016	2.7
131.04921	2.4
131.08566	9.8
132.02071	7.2
133.02870	2.3
133.06499	11.1
133.10118	12.9
135.04398	4.4
135.08014	5.5
136.05173	4.5
137.05969	9.3
137.09589	6.1
137.13268	1.6
139.07489	2.1
143.08588	7.6
145.02812	1.9
145.10130	5.9
146.03624	7.9
147.04401	67.2
147.08052	12.0
147.11682	18.9
148.04814	1.3
149.02330	13.8
149.06068	2.3
149.09605	36.9
151.03946	1.4
151.07542	30.7
155.08533	1.5
156.09349	7.5
157.03952	5.2
159.07956	2.0
160.08826	1.4
161.06009	8.9
161.09593	6.0
161.13254	16.7
162.03163	2.1
163.03952	6.1
163.11215	7.6
164.04642	13.0
165.05370	1.7
165.09058	2.8
165.12743	11.7
171.11671	8.3
174.03127	8.0
174.10397	2.7
175.03897	67.8
176.86411	1.2
177.01862	2.1
179.07051	16.8
179.10609	1.4
179.14301	2.5
181.36963	1.3
183.97743	1.3
189.05440	3.6
189.09108	2.3
189.12721	25.2
189.16393	2.1
191.03404	2.2
192.04152	20.5
196.08484	1.3
200.41840	1.4
206.67877	1.2
207.02910	2.7
207.06516	71.6
207.10106	6.5
207.13783	55.3
207.17365	5.2
208.06911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	0.9
55.01852	1.2
55.05503	3.7
57.00944	0.7
59.04998	8.2
65.03949	1.4
65.80815	0.8
67.05496	3.4
69.03423	4.4
69.07060	2.4
69.92438	3.5
71.04987	2.0
74.25577	0.7
79.05491	4.2
81.07057	6.3
83.04971	8.2
83.08596	1.7
85.02880	1.2
85.06542	1.1
91.05473	17.3
93.07036	3.5
94.08695	0.7
95.04964	3.2
95.08603	5.0
97.06532	1.6
98.18897	0.8
105.07018	14.5
107.04937	1.2
107.08584	12.4
109.06506	100.0
111.04391	0.9
111.08090	1.5
117.07008	1.1
118.04163	1.3
119.04935	11.2
119.08569	14.1
121.06505	3.3
121.10127	9.9
122.07301	1.2
123.08057	38.6
123.11707	3.0
128.06325	0.9
129.06960	0.9
131.08543	3.1
132.02051	1.6
133.06485	2.0
133.10124	2.9
135.08023	1.8
136.05232	1.5
137.09616	1.9
143.08582	2.4
145.10109	2.7
147.04396	7.6
147.08078	3.7
147.11687	12.1
149.02344	1.3
149.09601	21.9
151.07541	8.8
156.09352	5.0
159.11667	1.3
161.09598	1.3
161.13248	6.2
163.11105	1.8
164.04623	2.2
165.12773	3.9
171.11703	6.6
174.03186	1.4
174.10434	1.8
175.03897	10.1
179.07063	1.8
189.12715	11.5
192.04169	3.2
198.20891	0.9
207.06491	10.4
207.13768	18.5
226.38310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02373	1.5
53.03941	7.9
55.01863	2.3
55.05507	8.2
55.69059	0.5
56.38188	0.6
57.03414	0.9
57.07065	0.9
58.14191	0.6
59.04990	0.7
61.98204	0.6
65.03928	2.1
67.05497	26.2
69.07057	7.2
71.04987	2.7
71.26172	1.3
72.91033	0.5
73.06544	1.5
77.03896	1.2
79.05486	46.0
80.05838	0.8
81.03406	2.1
81.07047	24.2
83.04978	3.7
83.08601	2.5
85.02899	1.6
85.06554	3.1
91.05473	59.2
93.07035	100.0
94.07373	1.5
95.04958	15.6
95.08601	9.3
97.06544	3.0
97.10158	1.7
103.05462	1.5
105.04522	3.3
105.07020	29.6
107.04927	1.5
107.08582	12.5
109.06515	5.7
109.10139	2.3
111.08065	1.5
114.93231	0.6
115.05470	0.7
115.96438	1.6
117.07008	5.2
119.04951	2.0
119.08576	18.2
121.06506	2.3
121.10147	2.6
123.08043	5.5
123.11726	1.2
127.07614	0.8
128.06212	1.6
129.06989	10.1
130.07837	0.6
131.08574	0.8
133.06488	1.4
133.10112	8.3
133.97473	1.3
134.12767	0.6
135.11667	1.4
137.05983	1.6
139.07544	0.9
143.08527	6.0
145.10104	8.4
147.04384	2.2
147.08028	2.4
147.11670	55.0
148.12012	1.1
149.09590	1.6
151.07501	1.0
156.09308	1.0
161.06036	1.3
161.09656	4.2
161.13226	10.4
163.11205	0.9
165.05489	0.7
165.12785	1.2
171.11679	21.1
171.13150	1.3
175.03966	1.6
177.03783	0.7
179.07050	1.1
179.14207	0.9
189.12741	12.2
192.09332	0.7
207.06462	5.1
207.09943	1.0
207.11850	0.8
207.13768	18.4
207.17427	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02341	1.4
51.20058	0.9
53.00294	1.1
53.03938	1.3
53.33575	1.0
55.01866	1.3
55.05507	6.6
57.07063	5.5
57.80246	1.0
59.04989	1.5
65.03939	6.6
67.05499	29.5
69.03413	5.3
69.07051	4.8
70.58463	3.0
71.04965	2.9
71.22047	1.0
77.03912	2.2
79.05480	9.3
80.06251	1.8
81.03384	1.0
81.07053	9.9
83.04979	5.2
85.02900	2.1
85.06528	9.4
86.05775	1.2
89.03899	2.9
90.04681	1.4
91.05476	64.6
92.05794	1.8
93.03379	1.1
93.07046	14.1
95.04977	5.8
95.08600	100.0
96.08923	1.4
97.06524	1.1
103.05456	2.1
105.03371	2.8
105.07027	23.7
107.04946	3.4
107.07879	1.5
107.08585	20.3
109.06496	8.4
109.10155	5.6
111.08037	1.5
113.05997	4.4
115.05443	1.9
117.07013	3.1
118.04181	5.0
119.04935	55.6
119.06829	3.0
119.08566	29.2
120.08087	4.2
120.09343	1.2
121.02821	1.4
121.06523	5.0
121.08448	8.8
121.10133	19.3
121.87921	1.2
123.04421	2.9
123.08058	56.9
123.11689	6.6
125.09603	1.6
127.07529	1.2
131.04962	1.4
131.08560	6.2
132.02040	4.5
133.02876	1.9
133.06487	6.0
133.10115	8.9
135.04385	3.3
135.08009	3.3
135.11665	3.9
136.05145	1.2
137.05977	2.3
137.09625	7.3
137.13255	1.8
139.07527	1.3
143.08549	2.0
145.02905	2.6
145.10086	3.6
145.52419	1.2
146.03613	2.7
147.04391	42.3
147.06284	2.3
147.08029	7.9
147.11691	16.3
149.02359	5.9
149.09605	59.3
151.07535	6.1
151.14807	3.0
156.09312	3.9
157.03937	4.1
159.08031	2.3
161.05963	6.2
161.09581	4.7
161.13251	23.9
163.03911	1.3
163.11185	4.6
164.04654	2.6
165.09148	1.8
165.12752	14.6
171.11681	5.9
174.03113	3.4
174.10378	5.0
175.03896	43.9
179.07045	5.1
179.14258	2.5
189.05402	5.1
189.07246	2.0
189.09047	1.6
189.12718	23.6
192.04134	11.1
207.06517	32.1
207.10004	1.9
207.13782	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02377	1.2
53.03933	1.3
55.01860	2.6
55.05502	4.5
57.03430	1.6
57.07064	2.0
59.04991	8.0
65.03929	10.1
66.04721	0.9
67.05495	6.4
69.03423	6.0
69.07056	3.4
69.29450	2.9
69.29866	6.4
71.04977	3.8
76.03152	1.4
77.03909	2.9
77.69138	0.9
79.05477	7.5
80.06264	1.8
81.03380	1.1
81.07047	9.1
83.04979	9.3
83.08622	2.1
85.02884	2.4
85.06532	1.5
89.03902	3.9
90.04690	1.9
91.05473	100.0
92.05790	2.4
93.03392	1.7
93.07020	6.1
95.04948	7.2
95.08587	10.2
98.20718	1.6
99.04433	1.2
99.08045	1.1
101.03904	0.9
101.54865	0.8
103.05444	3.7
105.03386	2.0
105.07020	16.9
107.04935	3.8
107.08579	14.1
108.05699	1.4
109.06507	97.8
109.10132	1.7
111.04413	1.8
111.08068	2.0
115.05422	1.1
117.06973	1.4
118.04160	7.4
119.04930	91.4
119.08572	19.0
119.92139	0.9
120.05244	1.9
120.08056	2.2
121.02847	3.6
121.06495	6.5
121.10136	9.9
122.03663	1.2
123.04431	1.5
123.08058	37.1
123.08972	1.9
123.11689	5.1
125.05990	1.7
125.09627	1.9
125.66518	0.8
128.06232	1.0
129.03339	2.4
129.04384	1.1
129.06976	2.0
130.07739	1.0
131.08582	5.4
132.02060	7.4
133.02811	1.2
133.06503	4.4
133.10106	4.9
135.04358	3.9
135.08052	2.6
135.11630	1.7
136.05144	3.6
137.05942	3.0
137.09601	3.8
143.08585	4.3
145.02823	1.7
145.10110	3.7
146.03606	4.1
147.04398	81.9
147.08029	4.8
147.11667	16.4
148.04733	2.5
148.08527	0.9
149.02310	14.7
149.09607	25.7
150.03081	1.4
151.03850	2.6
151.07532	12.2
156.09372	4.3
157.03938	6.4
159.08107	1.4
159.11792	1.2
161.06024	4.2
161.09558	2.5
161.13216	6.3
162.03023	1.1
163.03900	2.9
163.11183	3.9
164.04689	5.9
165.09114	2.6
165.12729	7.2
171.11662	7.2
174.03120	3.4
174.10417	2.3
175.03886	78.2
176.04305	2.8
177.01813	2.9
179.07053	8.7
189.05431	2.2
189.09106	2.7
189.12706	14.7
192.04143	30.8
207.03076	2.1
207.06502	51.2
207.09969	2.5
207.13785	27.4
207.17426	1.8
208.06799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
50.79015	0.8
51.02370	0.9
55.01862	1.5
56.51864	1.0
57.93948	0.7
65.03936	10.3
67.05495	1.0
69.99182	3.4
76.03136	1.4
77.03920	2.8
78.04705	1.0
79.05482	1.9
80.06285	0.9
81.07077	0.8
85.02895	1.0
89.03899	5.3
90.04700	1.7
91.05476	100.0
93.03407	1.0
93.07004	1.3
95.04942	1.3
95.08597	0.9
103.05457	2.3
105.03362	2.9
105.07008	2.1
107.04922	2.7
108.05749	1.9
109.06529	2.0
117.03387	1.2
118.03398	1.0
118.04166	10.5
119.04934	82.7
119.08543	2.0
120.05286	1.9
121.02855	3.0
121.06471	1.1
123.08064	1.1
123.11642	1.0
127.34777	0.7
129.03377	2.0
129.04402	1.8
132.02057	8.4
133.02850	2.3
133.10129	1.1
134.03577	1.3
135.04387	4.8
136.05190	3.3
137.05899	0.9
145.02812	2.3
146.03601	2.6
147.04402	65.6
147.11673	1.2
148.04727	0.9
149.02330	14.0
149.09561	1.7
150.03098	1.3
157.03946	6.5
162.03168	1.1
163.03917	2.5
164.04694	6.7
174.03111	2.8
175.03897	79.6
176.04277	2.5
177.01819	3.2
179.07036	8.4
189.12758	1.1
192.04160	27.6
207.06522	49.3
207.13806	4.7
208.06949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.67198	1.3
53.03941	3.3
55.01851	2.9
55.05492	5.5
56.96546	2.2
57.03413	1.9
57.07056	1.8
59.04990	4.1
65.03621	1.9
65.03925	9.7
67.05493	7.6
68.99751	1.7
69.03426	7.9
69.07052	5.9
71.04974	3.1
71.52670	1.8
77.03912	2.9
78.04667	1.6
79.05487	10.0
80.06264	1.4
81.03396	4.5
81.07044	9.5
83.04964	4.6
83.08614	1.6
84.49948	1.5
85.02886	1.4
85.06533	2.7
89.03893	2.6
91.05472	100.0
92.05827	1.8
93.07031	10.0
95.04945	9.4
95.08596	8.9
97.02875	2.1
97.06518	1.9
98.97565	2.5
103.05446	7.5
105.03362	3.5
105.07015	23.0
107.04941	4.5
107.08563	12.0
108.05698	3.9
109.02843	2.0
109.06503	30.6
109.10130	4.9
111.04380	1.7
111.08079	1.9
115.05441	2.4
117.03362	1.7
117.06972	1.9
118.04141	11.2
119.04926	86.3
119.08561	17.9
120.05237	2.4
121.02853	3.2
121.06509	6.4
121.10139	12.6
123.04427	4.2
123.08059	17.9
123.11692	3.3
127.25212	1.4
128.06224	1.8
129.03372	1.8
129.06969	2.7
131.08549	5.4
132.02034	6.5
133.02803	1.9
133.06470	7.4
133.10112	10.2
135.04384	5.3
135.08058	4.2
135.11649	1.9
136.05167	6.0
137.05962	8.2
137.09589	5.5
143.08537	3.9
145.02834	2.8
145.10078	4.5
146.03600	9.1
147.04393	72.0
147.08029	7.5
147.11668	18.6
148.04739	1.5
149.02321	18.0
149.06021	2.3
149.09610	19.1
150.03123	2.2
151.03865	2.0
151.07524	17.3
151.11150	1.4
156.00377	1.6
156.09300	5.5
157.03944	5.3
159.07939	2.0
161.05928	7.4
161.09572	5.9
161.13234	13.7
163.03868	4.2
163.11156	4.1
164.04675	15.4
165.05470	1.9
165.09145	2.2
165.12714	5.8
166.07463	1.9
166.86542	1.4
171.11711	7.1
174.03111	8.7
174.10394	2.3
175.03896	72.6
176.04266	2.7
177.05388	1.8
179.07025	17.2
179.14264	2.1
183.97708	1.2
187.08098	1.7
189.05469	4.2
189.09068	2.8
189.12730	18.7
189.16386	2.4
192.04164	23.0
207.02957	3.8
207.06496	76.9
207.10109	5.4
207.12189	2.2
207.13788	37.7
207.17384	2.5
208.06740	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	207.065
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02367	1.6
51.97745	0.6
53.03938	1.3
55.01862	0.8
55.05502	1.0
57.03425	0.6
57.07046	0.8
60.54240	0.6
63.15842	0.6
63.49821	0.6
64.03175	0.8
65.03933	9.7
67.05494	2.9
69.03422	1.1
69.07102	0.6
70.20501	2.8
77.03918	1.9
79.01855	0.6
79.05489	3.9
80.06272	1.6
81.03410	1.2
81.07045	1.9
83.04962	0.8
85.02914	0.9
89.03903	5.6
90.04675	1.8
91.05471	100.0
92.05816	2.1
93.03394	1.2
93.07047	2.8
95.04928	3.1
95.08598	3.5
101.03907	0.8
101.07477	0.7
101.08140	0.7
103.05470	3.2
104.05797	2.2
105.03387	7.9
105.07027	6.1
107.04938	2.6
107.08600	2.4
108.05731	2.2
109.06498	2.1
109.10168	0.8
114.76985	0.7
117.03428	0.8
117.06999	1.3
118.04159	6.8
118.06522	2.7
119.04930	95.4
119.08559	3.8
120.05251	1.3
120.08101	7.0
121.02855	2.6
121.06519	1.2
121.07594	1.0
121.08436	14.5
121.10159	1.9
122.03665	1.3
123.04401	2.3
123.08045	2.3
123.11699	1.2
128.06203	0.9
129.03329	1.4
129.04453	0.9
131.04904	1.4
131.06868	2.5
131.08531	0.9
132.02048	7.2
133.02838	2.3
133.06447	1.9
133.10118	2.5
134.03656	1.3
135.04414	3.9
135.08064	1.4
136.05174	2.1
137.09572	0.8
145.02840	2.8
145.08383	0.9
145.10106	1.1
146.03630	4.6
146.05988	0.8
147.04396	72.5
147.06326	3.2
147.08055	2.5
147.11665	4.1
148.04803	1.2
149.02342	10.0
149.09604	2.6
150.03125	1.4
151.07501	2.0
157.03972	6.5
157.37363	0.7
161.05969	3.1
161.07907	1.9
161.09616	1.3
161.13261	2.5
162.03172	1.2
163.03865	1.5
163.11166	1.1
164.04688	5.8
165.09077	0.7
165.12755	1.2
171.06308	1.6
171.11639	1.0
174.03076	3.8
175.03889	82.3
176.04306	2.3
177.01894	1.6
179.07005	8.2
179.10655	0.8
189.05556	1.4
189.07408	5.2
189.09041	1.5
189.12756	3.8
192.04143	11.0
205.81395	0.7
207.03265	1.2
207.06516	41.4
207.08261	2.3
207.10110	1.8
207.13823	6.5
207.17397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	2-Hydroxy-3-methylbenzalpyruvate
Peak:m/z	Relative Intensity
51.02379	1.2
53.03946	3.6
55.01867	5.5
55.05486	0.8
65.03943	3.7
66.04703	0.8
67.01852	1.4
67.05490	2.4
67.98213	0.7
68.99767	2.4
69.66673	2.7
69.67085	1.7
77.03912	0.8
78.32052	0.6
79.05486	20.0
80.06254	1.1
81.03400	1.0
81.07050	5.4
85.37935	0.6
90.04681	1.3
91.05474	41.0
93.07030	4.9
94.04159	1.2
95.04955	7.0
95.08591	2.7
102.04646	1.2
103.05458	33.3
105.04510	1.7
105.07023	37.7
107.04952	4.3
107.08586	2.5
108.05730	4.8
109.05794	1.3
109.06504	16.6
109.10157	1.1
111.08033	1.1
115.05435	14.8
116.06238	1.0
117.07032	5.4
118.04164	8.8
119.04935	29.6
119.08551	2.4
120.05746	0.8
121.02840	1.0
121.06485	3.4
121.10144	0.8
123.04429	5.8
123.08052	9.4
129.07063	0.7
130.04077	1.0
131.04919	16.4
132.05685	0.9
133.06483	26.8
133.10092	1.1
134.07251	0.7
135.04405	1.9
135.08005	1.7
136.05200	4.5
137.05952	5.5
143.04880	0.9
145.06497	5.2
146.03616	12.3
146.04758	1.0
147.04399	31.9
147.11667	2.2
148.05136	1.0
149.02383	0.8
149.05940	1.0
151.07529	15.5
159.04430	1.5
161.05966	41.8
161.13229	1.2
162.06653	2.5
163.03941	1.7
163.07516	1.8
164.04674	8.3
174.03102	2.8
175.03918	6.2
176.52951	0.7
177.05490	1.0
179.07010	11.5
189.05440	9.9
189.16354	1.3
192.04185	6.8
207.06509	100.0
207.13972	1.4
207.17381	1.6
208.06844	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.01848	0.7
55.05508	0.8
55.28117	0.6
56.05018	0.7
56.96558	2.4
57.07051	1.1
57.31958	0.6
57.65914	0.7
60.04507	1.9
68.05000	0.8
69.03411	1.0
69.75461	3.2
70.06598	0.7
79.05479	0.8
80.04976	1.1
81.03381	1.9
81.04479	0.7
83.06083	1.0
84.08135	0.8
85.02888	1.8
91.05470	1.9
95.04945	0.7
95.06072	1.1
97.02888	1.8
105.07049	0.9
107.08566	0.7
108.04427	1.4
111.09200	0.7
115.00581	0.6
118.06536	0.7
119.01768	0.6
119.04900	0.8
121.06507	1.0
122.07076	0.6
123.04375	0.8
124.08719	0.8
124.70357	0.6
132.04439	25.6
132.05426	1.4
134.99696	1.1
136.08650	0.7
138.06599	0.7
146.05989	1.4
147.04364	0.7
147.08008	0.8
148.08725	0.7
149.02303	2.3
149.82349	0.6
150.02638	3.9
160.03848	1.2
160.07591	1.1
162.05426	0.6
163.03745	0.9
175.03802	0.6
177.07883	1.3
178.04974	100.0
179.05315	1.5
180.54474	0.6
191.14291	2.8
201.00806	1.7
206.04471	51.6
206.08084	3.1
206.11804	3.4
206.13786	0.7
206.18948	0.6
207.04857	0.8
207.06577	0.9
219.01768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.081
Annotation	Indolelactate
Peak:m/z	Relative Intensity
50.04425	0.3
51.02368	0.4
53.03955	0.7
53.66307	0.4
54.43419	0.3
56.96551	0.6
60.04508	0.4
62.02554	0.4
63.02394	0.4
65.03937	0.9
68.99787	0.4
70.02937	1.0
70.79118	1.2
76.78704	0.4
83.06107	0.4
87.00818	1.7
91.04910	0.6
91.05473	10.4
93.07038	2.6
95.04974	0.6
100.26569	0.4
103.05463	14.5
104.04972	0.5
105.03394	3.5
115.05458	1.1
117.05756	1.3
118.06535	34.5
119.04933	6.2
119.06839	0.7
120.08096	100.0
121.06520	0.3
121.08451	1.2
122.10412	0.4
128.04944	2.0
130.06519	12.4
131.07300	1.3
132.02052	0.8
132.08092	3.6
142.06493	2.2
143.07375	0.5
144.08087	2.7
146.06001	21.4
147.04396	4.5
147.11713	0.5
149.02342	1.1
150.02725	0.5
157.03952	0.6
160.07570	9.1
164.04625	0.4
170.05988	7.1
175.03896	5.9
179.07072	0.8
188.07053	20.0
189.05530	0.5
189.07355	0.4
191.14305	0.8
192.04219	0.6
206.08105	11.5
207.06493	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	207.065
Annotation	2-Hydroxy-3-methylbenzalpyruvate
Peak:m/z	Relative Intensity
51.02179	0.9
53.03933	3.4
55.01863	6.7
55.05498	4.3
56.96550	4.4
57.07062	1.5
65.03923	3.5
67.01846	0.9
67.05499	7.5
68.99773	3.7
69.03414	2.2
69.07066	6.3
69.34536	7.1
69.34939	2.1
74.16249	0.9
79.05485	20.3
80.06236	1.1
81.03391	1.3
81.07048	12.1
83.04964	5.6
83.08608	1.5
90.04679	1.4
91.05470	43.2
92.06222	1.1
93.07039	10.1
94.04157	1.7
95.04964	8.4
95.08596	12.9
97.06522	4.9
97.10151	1.3
103.05455	27.4
103.06144	1.4
105.04530	1.0
105.07018	45.2
107.04935	4.4
107.08578	11.2
108.05730	4.7
109.06508	26.9
109.10134	5.9
111.08069	2.9
115.05455	19.1
115.96422	2.1
116.97199	1.2
117.07010	11.3
118.04134	8.6
119.04118	1.8
119.04932	28.7
119.08572	7.8
121.02904	0.9
121.06501	3.7
121.10118	2.9
123.04395	2.6
123.08045	21.3
123.11661	2.4
125.09581	4.7
131.04034	1.3
131.04915	13.2
131.08583	1.2
133.06487	20.3
133.10086	7.2
133.97443	1.6
134.07292	1.7
135.04434	2.2
135.08031	3.8
135.11609	1.0
136.05161	4.2
137.05981	8.7
137.09579	2.7
137.13252	1.4
144.94655	0.9
145.06508	7.1
146.03615	11.2
147.04387	27.9
147.11685	8.0
149.05997	1.0
149.09575	1.7
149.13225	2.5
151.07547	14.9
151.11154	4.3
156.09311	1.5
159.04393	4.0
161.05971	29.1
161.09576	1.0
161.13251	1.8
163.03864	2.0
163.07487	1.6
164.04648	7.3
165.05423	1.1
165.12694	1.8
172.07471	1.0
174.03143	2.5
175.02570	1.2
175.03960	5.8
175.08781	2.4
177.05461	1.8
179.07071	7.5
184.09410	1.1
185.04828	1.1
189.05458	8.7
189.16312	6.3
192.04172	8.3
192.09264	1.6
193.03822	1.8
193.09796	1.2
195.59973	1.0
207.06502	100.0
207.11827	1.8
207.13818	4.8
207.17418	26.0
208.06807	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03920	1.6
55.05504	11.5
57.07065	6.0
65.03920	4.0
67.05495	12.4
69.07063	18.1
69.58139	1.0
69.58419	9.0
71.08617	1.7
72.93783	1.6
79.05481	14.5
81.07047	57.2
81.07530	2.8
83.08621	6.2
90.54749	1.3
91.05470	8.1
93.07029	52.7
95.04958	2.3
95.08593	27.7
97.02868	3.0
97.10152	4.8
98.03197	1.1
105.04498	1.6
105.07020	6.1
107.08585	34.4
109.10150	21.8
111.11681	2.4
113.96387	4.6
119.08562	3.6
121.02840	3.9
121.10130	100.0
122.10446	2.0
123.11664	11.8
126.05483	1.2
127.03915	1.4
131.97421	3.2
135.11691	21.3
145.10095	1.7
147.11694	1.2
149.02321	36.7
149.12045	2.2
149.13237	42.9
150.02721	1.9
150.13499	1.2
163.14799	5.4
187.14835	1.4
205.04828	1.8
205.08867	1.7
205.12198	2.1
205.15828	2.9
205.19501	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03932	1.9
55.05502	10.7
57.07070	6.0
64.10867	0.6
65.03919	2.4
67.05499	8.5
69.07060	18.1
69.39594	5.7
69.97296	0.6
71.08621	1.8
77.03958	0.6
79.05486	14.0
81.07046	54.2
82.07374	0.8
83.08610	5.2
91.05454	6.7
93.07034	51.6
95.04961	2.0
95.08595	26.8
97.02903	1.4
97.10167	4.8
105.07020	5.1
107.08579	32.9
109.06490	0.8
109.09386	1.0
109.10142	21.0
110.10496	0.7
111.04464	0.9
111.11694	2.9
119.08559	1.4
121.02848	3.8
121.10130	100.0
122.10474	1.8
123.08031	0.7
123.11685	9.6
135.11679	17.8
137.13258	1.1
144.97243	0.6
147.11682	0.8
149.02325	31.4
149.13242	36.7
150.02728	0.6
150.13551	0.9
159.11784	0.6
163.14841	3.4
191.14247	0.8
205.16124	1.0
205.19492	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03928	1.8
55.05511	9.4
57.07067	7.1
60.04509	2.8
61.04850	1.2
65.03925	2.2
67.05498	11.9
69.03427	1.6
69.07061	18.8
69.28606	2.0
69.29010	7.1
71.08640	1.5
79.05486	15.2
80.04974	0.9
81.03404	2.9
81.07047	58.3
83.08614	5.9
84.04499	1.5
85.02892	1.9
85.04829	1.4
91.05467	7.2
93.07034	57.2
94.07368	1.0
95.04950	2.8
95.08596	33.1
96.04494	0.9
96.08900	1.0
97.02882	6.8
97.10136	5.1
98.03216	1.7
99.04398	0.9
103.05460	1.1
105.07024	7.8
106.07334	1.0
107.08582	36.2
108.04456	2.3
109.02863	3.8
109.06522	0.9
109.10139	22.0
111.11726	1.5
113.96391	2.6
119.08558	3.2
121.02848	3.0
121.03970	1.1
121.06477	2.2
121.10130	100.0
122.10497	1.5
123.11693	13.2
127.03872	2.2
127.05841	3.0
131.04889	0.9
131.08574	1.6
131.97403	2.1
133.10146	1.0
135.08098	1.2
135.10713	1.4
135.11685	21.9
137.13182	1.3
145.06714	0.9
145.10100	2.7
147.08049	0.8
147.11626	1.3
149.02325	26.2
149.05876	1.0
149.09624	0.9
149.13249	38.2
150.13559	1.8
159.07970	1.0
159.11719	2.8
161.13094	1.0
163.14767	3.7
177.05359	0.8
187.14807	1.6
205.04916	2.6
205.08755	2.6
205.12245	3.1
205.14095	2.4
205.15903	5.4
205.19547	18.4
206.08089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29842	4.3
55.01850	15.3
56.05014	14.8
56.96559	100.0
57.03431	52.2
58.03756	5.1
59.04976	7.5
60.04520	12.0
61.02921	54.4
67.05498	7.1
68.05022	6.4
69.03419	89.1
70.03745	4.4
70.06575	14.6
71.01374	6.5
71.04977	11.5
71.52071	6.2
71.95271	6.1
72.08131	9.6
73.02917	50.9
73.08474	9.4
74.06055	5.7
80.05022	4.9
81.03400	20.3
82.06536	5.6
83.01318	4.4
83.04961	6.8
84.04494	18.6
84.96008	8.3
85.02896	79.0
86.06063	6.0
87.04442	13.5
88.03964	6.2
88.99133	8.5
89.00738	7.2
89.28972	4.5
90.05540	6.5
91.05461	8.7
92.01292	8.0
95.01308	10.1
96.08095	12.1
97.02874	30.4
98.01271	5.9
98.20777	5.1
98.97572	91.7
99.04430	6.6
100.03946	5.3
101.00826	5.2
101.02352	9.4
104.01271	10.9
107.01762	6.0
108.04441	11.1
109.02876	9.1
110.01263	22.6
110.06004	5.0
110.97532	15.8
111.00836	6.4
113.02356	61.5
113.07119	12.6
114.03734	12.1
114.05511	8.5
115.03905	9.4
116.01288	8.5
116.98605	69.5
119.01807	43.3
120.01933	6.8
121.01635	11.6
121.03391	8.4
124.07578	10.9
125.01772	12.8
125.43699	4.6
127.03928	9.1
128.02318	57.3
128.06996	5.7
128.98573	30.6
130.52585	7.5
131.01828	12.1
132.01968	9.4
132.04391	6.0
133.01611	11.7
133.03423	5.2
133.06465	6.3
134.02245	8.8
134.99634	46.3
135.03120	5.3
137.02827	19.6
140.02293	5.9
141.02986	5.2
142.08618	14.7
143.00122	5.8
145.01561	5.5
146.05894	5.4
146.08099	11.0
146.99617	37.8
147.03090	8.2
149.01201	6.5
149.02303	8.1
150.02682	16.5
151.02754	5.1
153.00699	6.7
155.02834	9.8
157.01451	7.7
158.99657	22.8
159.07629	7.9
160.04214	24.2
160.09644	9.3
160.97473	6.3
161.01180	16.7
161.02943	10.2
161.96060	4.7
162.03073	8.0
165.00598	10.7
170.08092	9.4
170.99620	15.3
171.01270	10.3
173.01202	14.7
173.02731	5.1
174.01730	10.6
174.03128	6.6
175.02597	7.5
177.00682	33.2
178.04926	12.6
182.99615	8.7
186.99187	7.4
187.02455	5.1
188.07054	8.2
188.09117	11.0
189.00627	29.2
189.02156	6.4
191.02150	6.1
191.14311	12.3
201.00684	49.0
201.02451	12.5
202.98624	7.3
204.04381	5.5
206.02753	6.4
206.04631	18.4
206.08067	20.3
206.10199	12.8
207.01579	5.2
207.06410	6.8
217.00230	6.2
219.01729	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03915	1.1
55.05516	5.4
56.05014	1.1
57.07055	1.7
60.04504	4.5
62.98455	0.9
65.03942	1.0
67.05502	19.6
68.05032	1.9
69.07066	7.4
69.24390	0.9
70.42430	4.1
79.05496	9.5
81.07046	46.2
83.08595	2.2
84.04475	4.4
85.02859	1.2
87.97705	1.0
88.64729	1.0
91.05466	13.0
93.07034	22.1
95.04963	1.4
95.08598	73.8
96.04485	3.0
97.02889	3.4
103.94623	1.0
105.07024	34.2
107.08580	47.2
107.09313	2.4
109.06488	2.7
109.10144	43.5
114.05516	2.2
117.06962	1.5
119.08572	31.5
121.09341	1.4
121.10136	17.1
123.11729	7.0
126.05495	6.3
131.08548	2.3
133.10120	22.7
135.11700	3.4
143.08522	1.3
145.10077	3.1
147.08006	1.2
147.11678	40.3
159.11676	2.3
161.09663	1.5
161.13245	12.8
175.14822	8.9
203.06947	2.0
203.10666	1.4
203.14238	4.3
203.17940	100.0
203.21919	3.7
204.08638	3.7
204.13916	1.6
204.18317	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.63598	0.5
66.45897	0.5
71.41090	0.8
72.53976	0.5
72.75172	0.5
74.02435	1.8
76.84404	0.5
81.85335	0.5
91.05452	2.7
91.35990	0.6
103.05412	0.7
115.05424	3.9
117.05746	2.4
117.06984	3.7
118.06528	52.9
130.06485	3.3
132.08073	13.5
142.06490	5.1
143.07300	7.9
144.04420	1.2
144.08072	22.8
146.05994	100.0
147.06326	1.6
159.09166	10.2
160.07552	1.7
170.06013	9.4
188.07050	61.2
189.07420	1.1
209.15504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusitone
Peak:m/z	Relative Intensity
55.01866	2.1
55.05507	1.8
57.03415	0.6
57.07069	3.3
60.04514	1.7
61.04843	0.7
65.03939	2.2
67.05499	2.3
68.05054	0.5
69.03428	1.5
69.07058	2.1
70.42657	1.7
71.04988	0.9
79.05485	16.7
81.03409	2.1
81.07058	3.7
83.04991	1.1
83.08608	0.8
84.04502	1.8
85.02895	1.7
85.04842	1.0
91.05462	6.9
93.07030	18.5
95.04958	1.6
95.08603	3.1
96.04472	0.7
97.02879	6.7
97.04777	0.6
97.06509	0.9
99.04469	0.9
105.07021	37.8
106.79353	0.5
107.04963	1.0
107.08581	49.6
108.04482	0.6
108.08942	0.6
109.02879	1.8
109.06557	2.5
109.07160	0.5
109.10153	1.7
111.04449	0.6
111.08073	0.8
114.05471	0.6
117.07007	1.4
118.55939	0.5
119.08554	7.6
121.02846	2.7
121.06516	2.4
121.10132	14.1
123.08072	1.6
126.05473	0.6
127.03933	0.6
127.05830	1.7
131.08539	6.4
133.06474	0.6
133.10080	0.9
133.58405	0.5
135.08054	3.1
135.11668	1.0
137.09644	1.2
145.06537	0.8
145.10110	6.2
147.08031	0.9
147.11700	2.6
149.02319	18.6
149.09602	100.0
150.02687	0.7
150.09938	1.9
159.11641	1.5
161.09612	0.5
161.13289	1.4
162.10362	0.6
163.11159	11.7
163.14754	1.0
167.10646	11.6
177.05409	0.6
177.12685	1.0
187.11156	0.8
187.14809	5.4
190.06216	0.6
205.04897	1.9
205.08791	2.1
205.12230	2.9
205.14394	1.6
205.15855	41.3
206.08029	0.6
206.16251	1.1
226.71159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03933	1.2
53.49342	0.7
55.01859	0.8
55.05265	1.0
55.05505	11.2
56.96539	0.8
57.07056	3.5
57.93530	0.7
58.47166	0.9
60.04519	10.8
64.62254	0.9
67.05141	0.7
67.05493	14.4
68.04998	2.9
69.03398	1.1
69.07056	19.3
69.31594	7.5
71.04945	0.8
79.05486	8.6
81.07047	31.0
81.07529	1.9
81.57747	0.7
83.08605	6.7
83.69667	0.7
84.04487	5.2
85.02878	1.6
91.05470	15.6
93.07030	13.2
94.33569	0.8
95.04991	1.0
95.08592	38.3
96.04475	5.5
97.02871	5.1
97.10136	1.9
98.20764	1.6
103.05431	1.6
105.07017	72.3
107.08575	23.3
109.10143	29.4
114.05502	3.0
115.05405	1.4
117.06989	3.9
119.08567	74.7
120.08872	1.4
121.10128	17.0
122.10531	0.7
123.11700	5.8
126.05508	5.6
127.03873	1.1
129.07011	1.2
130.07724	0.9
131.08577	7.5
133.06488	1.0
133.10107	60.9
134.09550	0.8
134.10445	1.0
135.11668	7.0
143.08525	1.9
145.06506	0.9
145.10098	20.2
147.11662	71.9
148.12027	1.3
157.10106	1.9
159.11632	6.4
160.12477	8.1
161.09636	1.5
161.13239	35.4
173.13187	1.0
174.14005	1.7
175.07472	1.4
175.14835	5.7
185.13246	1.5
188.15651	1.1
203.06929	1.7
203.10654	2.6
203.14238	4.6
203.17923	100.0
204.08669	3.5
204.13826	4.1
204.18210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.45069	1.2
51.09615	1.0
53.03942	2.1
53.23327	1.1
53.92342	0.9
55.05508	13.2
57.07059	3.4
60.04525	12.8
63.22786	1.0
67.05500	35.0
68.05003	3.0
69.03371	1.2
69.07062	20.3
69.65043	6.9
79.05485	10.9
81.07053	51.0
83.08604	6.4
84.04503	7.8
84.98413	1.0
85.02893	1.7
89.24001	1.0
91.05473	17.8
91.22052	1.0
93.07048	21.8
95.08601	81.5
96.04466	6.4
97.02882	5.8
97.10163	1.3
98.06048	1.0
105.07023	70.5
107.07885	1.7
107.08589	31.7
109.06533	1.7
109.10149	81.8
114.05524	5.3
115.05417	1.5
117.06983	2.6
117.56421	1.1
119.08572	64.4
121.10132	23.1
123.11705	8.8
126.05531	7.8
128.06194	1.7
131.07520	1.0
131.08521	5.2
133.04982	1.5
133.06361	1.2
133.10121	47.1
135.11707	8.1
143.08568	1.4
144.06511	1.8
145.10107	10.0
147.07985	2.1
147.11676	92.3
148.12070	1.6
150.92123	1.1
157.10133	1.6
159.11655	5.1
160.05130	1.5
160.12451	3.6
161.09558	2.4
161.13245	28.5
168.06516	2.2
170.10959	1.6
174.14017	1.3
175.07620	1.4
175.11264	1.1
175.14836	9.4
185.13246	2.5
203.07074	2.3
203.10646	2.5
203.14499	7.2
203.17943	100.0
204.08710	6.0
204.13864	3.7
204.18286	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.47442	0.7
53.03931	1.0
55.01845	0.8
55.05506	7.0
57.07055	2.1
60.04529	5.6
65.03927	1.0
67.05495	23.5
68.05019	1.8
69.07064	8.6
71.04406	1.6
79.05492	9.3
81.07051	41.2
82.07390	0.8
83.08589	2.2
84.04486	2.9
85.02875	1.8
91.05465	13.7
93.07034	18.5
95.04930	1.3
95.08598	62.0
96.04481	3.1
97.02864	3.0
97.10150	1.4
105.07021	47.9
107.08580	32.5
107.09310	1.6
109.02897	0.9
109.06483	1.2
109.10146	46.9
111.11683	0.7
114.05501	2.5
115.05482	0.8
117.06988	2.6
118.07767	0.9
119.08566	37.4
121.10133	17.5
123.11697	21.0
123.12584	1.3
126.05493	3.5
127.36186	0.8
131.08530	4.1
133.10117	27.1
135.11656	3.2
138.05386	0.8
140.86285	0.7
145.10129	5.4
147.11670	82.7
148.12048	1.3
157.10014	1.3
159.11661	2.6
160.12480	1.8
161.09592	2.1
161.12006	1.3
161.13245	19.3
174.40466	0.8
175.14812	6.5
185.13316	1.2
188.70430	0.7
189.07866	1.3
203.06970	1.8
203.14273	4.3
203.17934	100.0
204.08614	2.5
204.13841	1.1
204.18301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03922	2.1
54.16564	1.1
55.05510	10.1
56.05016	1.5
57.03410	1.5
57.07065	2.8
60.04520	16.5
61.02911	2.4
67.05497	18.5
68.05024	6.1
69.03391	1.7
69.07059	15.5
70.74677	2.6
70.75011	2.3
79.05472	11.2
81.07044	42.4
83.01332	1.5
83.08591	6.5
84.04049	1.7
84.04498	19.6
85.02879	3.6
91.05476	17.5
91.84824	1.1
93.07036	26.5
95.08597	61.3
96.04472	11.6
96.08932	2.0
97.02872	13.0
97.10155	1.9
98.06020	1.8
99.04434	2.4
105.07019	66.7
107.07872	2.4
107.08575	34.6
109.10142	46.9
110.06016	1.8
114.05521	12.2
117.07003	3.5
119.08568	50.6
120.08911	1.8
121.09326	2.3
121.10130	22.5
123.11688	9.3
124.90719	1.1
126.05492	22.7
127.03908	1.8
131.08528	6.9
133.10120	40.7
135.11664	5.9
138.05486	4.1
143.08527	1.8
144.06526	4.3
145.04918	1.2
145.10129	7.4
146.10876	1.7
147.11670	84.0
148.12129	1.1
156.06619	1.4
157.10101	2.5
159.11702	4.2
160.12415	3.3
161.06004	1.1
161.09576	1.8
161.13242	21.6
168.06522	2.5
175.07603	1.7
175.14836	8.2
185.09662	1.3
186.07610	2.8
203.07002	1.4
203.10648	4.5
203.14305	5.4
203.17935	100.0
204.08641	11.8
204.13744	5.8
204.18231	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.82985	0.6
53.03947	1.1
55.05502	5.1
57.07061	0.7
60.04519	1.2
65.03938	0.6
67.05502	9.0
68.05025	0.6
69.07054	3.3
70.12715	2.4
79.05481	6.2
81.07045	11.7
83.08626	1.6
84.04501	2.9
85.02856	0.6
85.52386	0.4
91.05466	6.8
93.07038	8.0
95.04993	0.8
95.08598	32.8
96.04497	2.7
97.02888	2.0
97.10165	0.6
105.07021	23.5
107.08580	18.6
109.10146	19.2
110.06024	0.8
114.05537	1.6
118.10199	0.6
119.08568	18.5
121.10120	6.2
123.11690	2.2
123.56528	0.5
126.05490	2.8
131.08556	2.1
133.10123	16.1
135.11676	1.5
138.05513	0.5
144.06529	0.7
145.10107	2.0
147.11670	100.0
148.11966	2.7
157.10072	0.6
159.11656	0.8
160.12476	0.9
161.13242	5.9
175.14830	1.8
203.14230	1.6
203.17934	51.1
204.08673	1.4
204.13850	1.0
204.18242	1.2
206.07945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.45622	0.8
53.03934	1.0
55.05499	6.5
57.07054	1.2
60.04519	0.8
67.05138	1.4
67.05497	28.6
68.05032	1.1
69.07063	10.7
69.96346	4.7
76.71282	0.9
79.05484	16.2
79.69923	0.9
81.07041	34.6
83.08618	4.1
84.04489	3.3
85.02882	0.8
91.04910	1.2
91.05470	23.3
93.07034	38.9
95.04953	2.3
95.08595	68.6
96.04476	1.4
96.08929	2.2
97.02877	1.6
103.05446	1.1
105.07021	36.2
107.08582	43.1
107.09309	2.1
109.10142	38.3
114.05528	1.2
119.08565	27.8
120.08883	0.9
121.10128	42.2
123.11692	7.1
126.05479	4.3
131.08566	1.1
133.10114	30.8
135.11674	6.3
145.10109	2.7
147.11673	56.2
148.12149	1.1
159.11681	1.4
160.12508	1.0
161.13248	13.6
175.14838	6.4
203.17928	100.0
204.08592	1.9
204.13879	1.1
204.18292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03947	0.6
55.05515	3.3
57.07081	0.6
60.04527	0.6
60.78880	0.5
67.05501	9.1
69.07072	3.5
79.05480	4.7
81.07050	40.0
81.62656	0.5
83.08602	1.3
84.04489	1.1
91.05477	6.6
93.07040	8.4
95.06091	0.6
95.08603	26.1
97.10141	0.7
98.37918	0.6
103.05438	0.8
105.07021	100.0
106.07304	1.2
107.08588	16.9
109.10146	20.7
114.91723	0.6
117.07035	1.0
119.08572	22.9
120.05619	0.6
121.10137	6.6
123.11692	4.6
126.05487	1.5
131.08554	1.1
133.10117	15.5
135.11699	2.4
145.10168	1.0
147.11673	22.6
159.11650	1.5
161.13242	45.6
162.10207	1.3
175.14810	6.7
203.10529	0.8
203.17941	46.8
204.08693	0.9
204.12354	0.8
204.18324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03918	1.3
55.05501	6.4
61.09523	1.3
62.23521	1.1
65.03895	1.1
67.05501	25.3
69.07066	11.7
69.30182	10.5
77.03922	1.2
79.05151	1.1
79.05491	13.7
81.07050	46.8
83.08598	1.9
83.88921	1.2
91.05478	14.4
93.06490	1.6
93.07037	28.0
95.08599	74.6
97.10154	2.1
98.20779	1.9
105.07021	53.6
107.08585	53.4
107.09197	1.1
109.06455	1.4
109.10146	57.0
109.37314	1.2
112.64267	1.2
119.08573	37.2
121.10130	19.4
123.11681	14.4
126.05521	2.1
131.08562	1.8
133.10114	30.3
135.11664	4.0
145.10069	2.5
147.11664	58.6
148.12404	1.2
159.11699	1.6
161.13255	18.8
175.14807	7.9
203.17935	100.0
204.18198	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.22944	1.0
53.03942	1.6
55.05505	7.6
60.04519	1.9
67.05502	19.7
69.07069	11.6
70.56668	3.7
79.05483	9.4
81.07048	30.4
83.08592	4.0
84.04508	3.2
91.05470	16.1
93.06486	2.0
93.07030	20.9
94.13960	1.3
95.08597	67.7
96.04468	1.2
97.02857	1.7
97.10150	2.1
98.21514	1.3
105.07022	56.3
107.08583	38.2
109.10145	38.7
111.95082	1.3
119.08574	39.1
121.09342	1.5
121.10142	18.9
123.11704	7.6
126.05506	2.3
131.08551	3.7
133.10117	29.3
135.11664	4.3
145.10104	4.5
147.11678	100.0
148.12091	2.4
160.12460	1.4
161.13258	16.7
175.14798	6.7
203.17943	91.4
204.13821	4.2
204.18314	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	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
54.73908	1.0
55.05511	7.0
67.05497	24.4
69.07056	9.4
69.80553	7.3
72.86781	1.1
79.05489	11.6
81.07050	38.1
83.08605	2.7
84.04485	1.6
91.05473	15.9
93.07034	26.5
95.04942	1.8
95.08597	84.6
97.10153	1.9
105.07018	50.7
107.08578	44.5
109.06534	1.6
109.10139	49.0
117.06987	1.7
119.08569	34.0
120.08894	1.3
121.10128	24.4
123.11674	7.4
126.05459	1.5
131.08542	2.8
133.10123	28.2
135.11661	3.8
138.21613	1.3
143.55638	1.1
145.10147	3.3
147.11670	68.3
159.11723	2.3
160.12454	1.7
161.13237	17.3
175.14812	6.4
203.17941	100.0
204.13866	1.8
204.18176	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.21397	1.3
53.03933	2.4
55.05504	9.0
57.07045	1.8
60.04512	3.8
67.05495	24.3
69.07055	11.0
71.32210	1.7
79.05491	9.2
81.07044	50.6
83.08590	3.8
84.04476	2.6
91.05470	11.2
93.07031	21.5
95.08593	82.7
97.02869	2.0
97.10146	2.0
102.99604	1.4
103.98872	1.5
105.07013	48.3
107.08589	26.8
109.10143	73.8
117.06990	1.9
119.08564	68.3
121.10127	23.1
123.11678	19.2
126.05473	1.3
131.08530	3.9
133.10109	43.4
135.11667	4.5
145.10117	4.5
147.11665	64.2
160.12444	2.2
161.13243	24.1
175.14845	10.9
177.37640	1.3
203.17935	100.0
204.18248	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	1.0
55.05500	5.1
57.07061	1.7
60.04518	0.9
67.05497	12.3
67.70371	0.7
69.07058	10.0
69.95455	3.0
75.72251	0.7
79.05473	5.4
81.07044	26.5
83.08597	2.8
84.04469	1.9
91.05455	8.5
93.07040	10.3
95.04942	0.9
95.08594	36.6
96.04491	1.4
97.02893	0.9
97.10172	0.9
98.20876	0.8
103.02402	0.7
105.07017	40.7
107.08581	18.2
109.10146	36.7
117.06973	1.0
119.08563	36.8
121.06481	1.3
121.09335	1.1
121.10133	12.8
123.11688	14.3
126.05474	1.2
131.08542	2.4
133.10109	26.9
135.11653	2.4
145.10107	3.6
147.11667	65.3
148.12099	0.9
160.08809	1.1
160.12462	1.8
161.09616	2.4
161.13237	16.2
175.14799	16.7
185.09688	2.0
189.54225	0.8
203.10637	4.1
203.17929	100.0
204.08620	1.5
204.18300	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	203.1792
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.41904	0.6
53.03939	1.2
53.29335	0.6
55.05503	4.4
62.69916	0.6
67.05489	7.5
69.07047	3.3
69.09489	0.7
69.43382	6.0
79.05484	5.9
81.07047	39.3
83.08622	1.0
84.04510	1.1
91.05454	6.3
93.07034	9.2
95.08592	25.3
96.04450	1.1
97.02864	1.3
104.10531	0.6
104.79039	0.6
105.07017	100.0
106.07340	1.0
107.08569	18.4
109.10140	17.6
114.05534	0.8
117.06976	0.7
119.08564	26.0
121.10140	6.5
123.11687	4.7
126.05505	1.1
131.08560	1.6
133.10121	15.9
135.11670	2.2
137.36086	0.7
145.10109	1.9
147.11671	27.2
159.11685	1.3
161.13235	45.6
162.07591	0.7
162.13626	0.7
174.14000	0.9
175.14798	7.9
203.10599	1.6
203.17932	52.8
204.08679	0.8
204.18335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05507	6.4
55.10646	0.5
57.07072	0.8
60.04519	4.3
65.03928	1.0
67.05499	19.6
68.05019	1.2
69.07060	8.0
69.42801	1.4
69.43227	2.9
79.05484	9.3
81.07049	46.8
83.08619	1.8
84.04488	2.8
85.02884	0.7
91.05471	16.1
93.07035	20.6
95.04966	1.1
95.08599	71.5
96.04491	1.9
96.08866	0.6
97.02883	2.2
97.10159	0.7
98.21556	1.0
105.07022	39.4
107.04944	1.6
107.08582	47.9
108.08905	0.6
109.06485	1.5
109.10146	47.2
110.10503	0.5
114.05527	1.5
117.06995	1.5
119.08566	32.1
121.10141	17.2
121.10893	0.5
123.11694	7.0
126.05520	4.2
131.08551	3.3
133.06393	0.7
133.10121	25.0
135.11702	3.0
143.08534	1.0
145.10141	3.8
147.08041	1.3
147.11671	84.7
148.12212	1.0
157.10132	1.2
159.11690	1.9
160.05171	0.6
160.12434	0.7
161.05942	1.0
161.09601	0.8
161.13245	14.6
173.77216	0.6
175.14804	8.6
185.13278	0.9
203.06969	1.5
203.10727	1.1
203.14189	2.5
203.17935	100.0
204.08708	2.5
204.13799	1.6
204.18275	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	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03948	0.9
53.11213	0.5
54.43650	0.5
55.05506	6.0
57.07073	5.0
59.59540	0.5
60.04511	1.6
67.05499	9.0
68.04988	0.7
69.07062	11.6
69.28423	5.2
79.05479	5.6
81.07049	19.0
83.08618	2.9
84.04505	1.9
91.05468	10.4
93.07035	7.7
95.07979	1.0
95.08595	21.2
96.04496	1.7
97.02882	1.2
97.10193	0.6
98.21548	1.1
103.05435	0.9
105.07019	100.0
106.07336	1.2
107.08577	10.3
109.10143	14.3
110.06017	0.5
114.05554	1.4
117.07019	2.0
119.08572	39.6
120.08864	0.8
121.10131	8.8
123.11690	4.4
126.05496	2.4
131.08580	2.9
132.09276	0.8
133.10114	29.4
135.11681	2.3
143.08513	0.5
144.06532	0.6
145.10124	4.8
147.11670	44.3
148.12299	1.1
159.11682	2.3
160.12495	2.6
161.13237	17.6
174.14050	0.7
175.14815	4.5
180.12671	0.5
203.17935	38.5
204.08672	1.3
204.13933	0.8
204.18388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03945	1.5
55.05510	9.1
57.07062	1.9
60.04497	1.4
62.87345	0.9
65.03916	1.5
66.40618	0.9
67.05500	23.1
68.04981	0.9
69.07068	15.7
69.31179	9.0
71.09028	1.0
79.05479	11.7
81.07047	42.5
83.08604	2.4
84.04488	3.2
91.05466	20.2
93.07042	22.9
95.04984	0.9
95.08598	69.9
96.04487	2.4
96.08920	1.2
97.02847	1.9
105.07024	67.6
107.07881	2.0
107.08585	39.0
109.10152	48.0
114.05497	2.7
117.06969	1.2
119.08571	44.3
121.10135	26.2
123.11713	8.4
126.05513	5.1
130.74353	0.9
131.08534	4.2
133.10124	44.5
135.11687	5.9
145.10158	4.8
147.11671	100.0
148.12096	1.7
159.11644	1.5
160.12436	2.2
161.11975	1.7
161.13243	18.6
175.14821	10.6
203.17940	95.8
204.08606	2.1
204.13745	1.3
204.18314	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05505	3.5
57.41271	0.5
60.42098	0.5
67.05498	8.9
69.07058	3.8
69.18316	4.1
69.18736	2.0
79.05483	5.1
79.67078	0.5
81.07050	13.1
83.08608	0.9
91.03790	0.5
91.05457	5.9
93.07030	7.1
95.08593	30.1
98.21521	1.1
105.07021	20.3
107.08579	20.7
109.10143	21.1
111.17912	0.5
117.07009	0.6
119.08563	13.8
121.10109	5.2
123.11703	3.5
125.72669	0.5
128.59692	0.6
131.08562	2.1
133.10114	15.2
135.11688	0.9
145.10094	1.5
147.11667	100.0
148.12094	1.6
160.12474	0.8
161.13225	7.0
175.14819	3.0
203.17928	48.9
204.18272	1.0
224.29382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
54.59066	1.2
55.05499	5.3
55.05737	1.3
56.05021	1.4
65.93536	1.5
67.05497	14.2
68.05011	3.7
69.07056	5.5
73.06057	1.4
79.05499	7.4
81.06591	2.4
81.07050	35.8
84.04513	7.4
85.02850	1.9
91.05494	8.6
93.07027	10.6
95.08598	25.2
96.04482	3.3
97.02858	5.3
97.10182	1.3
98.20743	2.8
105.07024	100.0
106.07357	2.6
107.08591	15.7
109.10143	17.6
114.05517	2.1
119.07806	2.2
119.08575	26.4
121.10103	5.2
123.11687	3.7
126.05505	5.4
131.08545	1.6
133.10114	16.4
134.07082	1.7
136.07561	1.3
144.06552	1.7
145.10135	2.8
147.11684	25.9
159.11746	1.5
161.13249	28.7
167.57169	1.3
175.14784	6.1
203.10463	2.1
203.16029	2.6
203.17943	36.2
204.08630	4.2
204.12343	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	203.139
Annotation	H-ILE-ALA-OH
Peak:m/z	Relative Intensity
52.49592	0.3
55.01864	0.6
55.05498	0.5
56.05013	0.6
56.96299	0.5
56.96561	6.5
57.03419	1.3
58.06560	0.3
59.04987	0.8
60.04514	3.7
61.02922	0.8
67.05505	0.5
68.05022	1.5
69.03417	1.7
69.07056	3.0
70.06590	6.3
71.04977	0.7
71.06093	1.3
71.32208	0.6
72.04513	0.4
72.08138	1.0
72.43572	0.3
73.02919	1.3
74.06070	0.3
81.03391	0.4
81.07066	0.8
83.04982	0.6
84.04507	1.3
84.08131	1.8
84.96047	0.3
85.02907	1.7
86.09696	100.0
87.00809	0.6
87.04452	0.7
87.10044	0.8
88.03963	0.3
88.08746	2.2
90.05533	0.8
91.05482	0.5
93.07047	0.3
95.04960	0.3
95.08602	0.7
96.04476	2.5
97.02885	3.8
98.01310	0.3
98.06062	0.7
98.97560	3.6
99.04449	0.9
101.00883	1.2
102.05521	0.4
102.96877	0.7
105.06995	0.7
107.08576	0.3
109.02888	0.5
109.10188	0.3
110.06033	0.7
110.07169	0.4
111.04440	0.3
112.07565	0.3
112.11206	0.4
114.05515	2.3
115.03903	1.1
115.08707	0.4
116.07106	2.1
116.98623	2.9
118.03572	0.5
119.01916	4.4
119.08576	0.7
120.02042	0.7
120.96513	0.6
120.97874	0.3
121.01653	2.6
121.02334	0.3
125.02380	0.5
126.05482	2.0
127.03935	0.6
128.98631	0.4
129.07071	0.4
129.10233	0.7
130.06529	2.7
130.08627	0.6
131.00182	0.5
131.01898	0.9
133.01672	0.8
133.06442	0.3
133.10123	0.3
134.99663	1.8
135.03226	0.4
136.11118	0.4
137.02975	1.6
138.05498	0.4
138.98912	0.6
139.02711	1.5
139.03868	0.3
142.03476	0.3
143.00162	0.4
143.01903	1.0
143.03383	2.0
144.06526	0.4
145.03404	0.5
145.05063	0.3
146.99614	0.6
147.08005	0.3
147.11652	0.7
150.00697	0.4
151.03870	0.4
153.00714	0.4
155.01834	0.4
156.97459	0.9
157.03482	0.8
157.06384	0.5
157.07597	3.9
157.10085	0.3
158.09300	0.3
158.11729	0.4
158.12871	1.5
158.99617	0.6
160.05191	0.3
161.01189	0.6
161.02946	4.0
161.13312	0.3
168.06606	0.8
173.01450	0.3
173.02972	1.1
174.98563	0.9
175.02689	0.4
175.04161	0.3
175.07608	0.4
177.00720	0.7
179.02321	0.5
179.04010	0.5
179.97691	0.5
179.99101	0.7
180.12215	0.3
185.02948	0.6
191.04089	0.4
197.03304	0.3
198.00116	0.9
203.02278	0.9
203.03792	0.4
203.05292	0.9
203.08304	2.0
203.10063	0.4
203.13779	0.6
203.15315	2.6
203.18048	0.9
204.08667	1.5
204.13910	0.4
213.00685	0.5
219.01778	0.5
221.03304	2.0
221.05188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03917	1.9
53.75148	0.8
55.05487	3.1
57.07052	3.6
67.05496	9.0
69.07054	6.1
69.85389	0.9
70.70687	0.9
70.71003	1.7
77.49571	0.9
79.05481	9.9
81.03411	0.8
81.06599	1.8
81.07046	31.6
83.08582	1.4
91.05470	14.5
93.07027	19.9
95.04947	1.7
95.08594	23.8
103.05434	1.2
105.07014	28.8
107.07881	1.9
107.08578	30.3
107.09303	1.7
109.10139	6.0
115.05461	1.8
117.06236	1.3
117.07004	17.7
117.83739	1.0
118.96741	3.0
119.08568	26.3
121.10127	12.7
127.03905	1.5
128.06178	1.0
129.06972	4.4
130.07793	7.1
131.08548	36.5
132.08914	1.2
133.10136	10.3
137.05946	1.3
142.07742	1.4
143.08516	6.3
144.09299	6.4
145.10103	92.5
146.10629	2.0
154.96481	1.1
157.10114	5.6
158.10857	2.8
159.11670	62.4
165.05487	1.4
171.11740	1.7
172.12378	1.2
173.13217	12.1
177.98018	1.2
186.14009	3.1
193.12984	0.9
199.14787	1.1
201.09119	1.6
201.12584	3.2
201.16353	100.0
202.16658	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	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01612	1.4
57.03420	2.1
60.04518	11.4
61.02895	1.4
69.03418	3.2
70.06583	27.9
71.04968	1.4
71.06104	7.3
71.52350	1.6
72.08125	2.1
73.02889	4.7
76.90836	1.3
84.04499	2.1
85.02880	5.1
88.08743	11.2
94.93025	2.9
96.04489	3.1
97.02857	6.3
101.00860	4.1
102.02416	1.7
114.05521	4.0
116.07077	11.6
119.01927	15.9
122.55162	1.4
125.88475	1.3
126.03419	1.6
126.05474	4.1
131.01878	5.3
132.03400	1.4
133.09741	2.3
137.02916	1.9
143.01883	8.8
145.03465	2.3
147.04042	1.4
155.01845	1.9
157.03427	2.3
158.09219	2.3
158.12926	7.2
161.02953	23.2
168.06567	2.1
173.03006	4.0
183.05017	1.9
185.02887	3.0
203.05254	100.0
203.14995	16.5
204.05630	1.6
204.08694	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	203.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03929	0.5
53.14501	0.3
55.05505	2.2
57.03412	0.3
57.07057	0.5
57.17326	0.3
59.82347	0.3
60.04519	2.9
65.31053	0.3
67.05489	3.8
68.04992	1.1
69.03403	0.6
69.07057	2.1
71.52625	0.3
71.53021	0.6
75.23114	0.3
79.05489	2.6
79.12865	0.3
81.07045	10.4
83.08587	0.9
84.04488	2.7
85.02879	0.8
89.97992	0.3
91.05470	6.8
93.06487	0.4
93.07032	5.3
93.07573	0.6
95.04939	0.6
95.08591	9.9
96.04481	2.3
97.02869	2.4
105.07018	35.8
106.07317	0.4
107.04901	0.7
107.08582	6.7
109.09472	0.6
109.10146	6.6
114.05523	1.6
115.05434	1.1
117.07010	2.7
119.07700	0.6
119.08568	11.4
121.06485	5.2
121.10128	3.5
123.11680	1.5
126.05498	3.5
128.06203	10.8
128.07147	0.7
129.06990	0.8
131.04874	1.1
131.08548	2.7
132.05704	0.6
133.06464	1.6
133.10114	20.4
134.10402	0.6
135.11662	0.7
141.07021	0.4
142.07724	0.5
143.08542	22.3
144.06523	0.4
144.08960	0.6
145.06470	3.4
145.10101	2.0
146.07249	9.2
146.10458	1.2
147.07979	0.6
147.10715	1.1
147.11684	11.3
155.06010	0.7
157.10036	0.9
159.08017	0.8
159.11650	1.0
160.08850	0.3
160.12320	0.5
161.09595	100.0
161.13223	9.6
162.09927	2.0
168.06561	0.5
170.10904	0.5
175.11143	1.1
175.14828	2.0
185.04160	0.3
185.13219	1.2
186.07600	0.6
188.08336	0.3
203.03389	0.4
203.07013	0.6
203.10600	2.2
203.14313	4.0
203.17941	17.2
204.08620	2.0
204.13789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03944	1.6
55.05507	3.2
56.83032	0.8
57.07050	1.3
65.03919	1.0
66.22079	0.6
67.05502	10.3
69.07055	8.2
70.13685	3.5
77.03928	1.1
79.05484	13.6
81.07047	52.1
83.08593	1.6
88.09668	0.7
88.38739	0.7
91.05470	17.8
91.06020	1.1
93.07030	26.5
94.07455	0.9
94.39017	0.8
95.04960	1.9
95.08597	41.9
96.08926	1.1
98.72053	0.7
103.05457	1.5
105.06304	1.7
105.07015	28.6
107.08582	50.1
107.81271	0.8
108.08926	1.3
109.06516	2.6
109.10132	6.8
115.05429	1.3
117.07004	14.4
119.08572	26.9
121.10133	13.1
127.03918	1.5
128.06192	1.7
129.06952	4.3
130.07776	8.5
131.08554	46.6
132.09354	0.7
133.10117	10.4
143.08554	4.3
144.09348	4.5
145.10109	100.0
146.10922	4.7
147.11609	0.9
157.10132	3.6
158.10844	1.8
159.11676	44.3
160.12401	1.9
171.11652	2.1
172.12398	1.1
173.13240	26.3
186.14012	1.3
201.16359	93.8
202.16708	4.1
204.24960	0.9
215.62956	0.8
216.26768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.25844	0.7
55.05493	2.0
57.07057	1.5
61.99851	0.7
65.03925	1.4
66.88755	0.8
67.05496	9.2
68.25269	0.7
69.07072	5.1
71.13759	1.1
71.14086	1.2
79.05486	9.2
81.07050	48.8
83.08615	0.8
91.05468	13.5
93.07036	24.4
95.04949	1.8
95.08600	35.3
103.05450	0.8
105.06306	1.3
105.07020	24.4
107.08587	46.3
109.06474	1.1
109.10147	7.0
115.05399	1.2
116.06194	1.0
117.07007	10.4
119.08566	23.8
121.10123	11.8
123.05783	0.7
129.07018	3.8
130.07779	5.8
131.08553	38.6
132.09174	0.8
133.10107	10.7
143.08563	3.9
143.67497	0.8
144.09319	4.5
145.10110	85.3
146.10866	5.0
157.10112	3.3
158.10890	2.1
159.11681	39.5
171.11671	1.3
172.12418	1.4
173.13254	22.8
186.14032	1.3
201.16367	100.0
202.16702	3.2
217.97734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03926	1.5
55.05492	2.8
57.07071	2.1
57.10001	0.8
67.05491	9.8
69.07054	5.0
70.56191	2.4
73.36037	0.8
79.05490	9.4
81.07044	41.6
85.37695	0.8
89.87827	0.9
91.05463	16.5
93.07030	23.1
95.04955	1.1
95.08593	32.8
98.15921	0.8
104.06313	0.7
105.07012	23.4
107.08574	41.3
109.06512	1.3
109.10142	6.2
115.05440	1.3
115.24197	1.0
116.06252	1.1
117.06996	10.1
118.96745	2.2
119.08562	25.4
121.10123	10.7
127.03876	1.2
128.06189	1.6
129.06992	4.4
130.07771	6.1
131.08545	37.7
133.10115	10.1
141.05495	0.8
143.08546	4.7
143.62666	1.0
144.09325	4.6
145.10100	85.8
146.10936	4.1
157.10118	2.9
158.10883	3.2
159.11668	46.0
160.12030	1.4
171.11664	2.2
172.12492	1.1
173.13242	24.8
177.98055	1.4
183.11729	1.1
186.14034	1.7
188.03111	1.8
201.16348	100.0
202.16710	2.4
208.19086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	2.9
56.96557	17.8
70.57793	2.9
71.88461	0.8
71.95245	2.3
88.59296	0.8
91.04836	1.0
97.99158	1.0
98.97574	100.0
101.00876	1.4
116.98611	88.3
118.03485	0.9
119.01877	6.5
120.02013	2.1
134.02966	1.2
134.99644	59.1
137.02914	2.1
140.00156	2.8
142.03436	1.6
153.00681	8.8
153.29442	0.9
158.01237	3.7
158.02983	1.2
160.40070	0.8
174.97586	1.3
176.02457	1.8
176.04066	2.3
177.00864	8.6
194.96513	1.0
195.01775	2.5
199.18884	1.2
200.07680	1.2
203.96999	2.2
212.92290	2.8
212.97508	1.1
214.95552	1.0
219.01978	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	2.9
56.96300	1.8
56.96561	30.9
57.03429	2.9
60.05624	2.2
69.03411	2.7
70.06588	6.4
70.08800	5.4
71.95237	3.6
72.08138	3.3
73.02895	3.3
79.66314	1.2
82.06541	1.3
84.04503	9.8
84.08121	5.3
84.96017	2.5
85.02876	5.3
86.09684	5.0
87.04449	2.0
97.02876	5.1
97.99150	1.2
98.09647	1.2
98.97572	100.0
99.97884	2.0
100.02429	1.4
101.00859	1.6
110.01263	1.7
110.97550	3.7
112.07623	1.4
115.00626	1.5
116.00164	2.5
116.98607	86.7
117.98917	1.9
118.03487	2.8
119.01879	8.9
120.01997	1.3
127.03914	1.5
128.02249	1.2
128.98578	5.4
129.10222	2.6
131.01889	3.6
133.03484	1.5
134.01276	1.8
134.99641	54.5
137.02913	4.3
140.00197	2.7
144.99811	1.8
145.05031	1.3
146.02298	1.4
146.99669	2.8
149.02881	2.0
153.00696	11.8
154.03510	1.3
156.05051	1.2
158.01244	6.1
158.99628	2.3
161.01186	1.9
161.02974	1.6
161.23805	1.3
168.01387	2.0
172.04514	2.1
174.04393	1.3
175.11877	3.8
176.02295	4.2
177.00705	8.6
177.02417	5.7
181.04927	1.4
189.00693	2.5
195.01793	2.5
195.03439	1.5
197.06311	1.5
199.18855	2.6
200.04030	5.7
201.00604	1.5
201.02412	1.7
218.05099	2.3
219.01639	2.0
219.03517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	2.9
56.96300	1.8
56.96561	30.9
57.03429	2.9
60.05624	2.2
69.03411	2.7
70.06588	6.4
70.08800	5.4
71.95237	3.6
72.08138	3.3
73.02895	3.3
79.66314	1.2
82.06541	1.3
84.04503	9.8
84.08121	5.3
84.96017	2.5
85.02876	5.3
86.09684	5.0
87.04449	2.0
97.02876	5.1
97.99150	1.2
98.09647	1.2
98.97572	100.0
99.97884	2.0
100.02429	1.4
101.00859	1.6
110.01263	1.7
110.97550	3.7
112.07623	1.4
115.00626	1.5
116.00164	2.5
116.98607	86.7
117.98917	1.9
118.03487	2.8
119.01879	8.9
120.01997	1.3
127.03914	1.5
128.02249	1.2
128.98578	5.4
129.10222	2.6
131.01889	3.6
133.03484	1.5
134.01276	1.8
134.99641	54.5
137.02913	4.3
140.00197	2.7
144.99811	1.8
145.05031	1.3
146.02298	1.4
146.99669	2.8
149.02881	2.0
153.00696	11.8
154.03510	1.3
156.05051	1.2
158.01244	6.1
158.99628	2.3
161.01186	1.9
161.02974	1.6
161.23805	1.3
168.01387	2.0
172.04514	2.1
174.04393	1.3
175.11877	3.8
176.02295	4.2
177.00705	8.6
177.02417	5.7
181.04927	1.4
189.00693	2.5
195.01793	2.5
195.03439	1.5
197.06311	1.5
199.18855	2.6
200.04030	5.7
201.00604	1.5
201.02412	1.7
218.05099	2.3
219.01639	2.0
219.03517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03948	1.4
54.52416	0.8
54.95770	0.7
55.05494	3.7
57.07061	1.6
64.82120	0.6
65.03943	1.1
67.05500	11.6
68.58746	0.7
69.07052	6.6
69.97137	1.4
69.97550	2.5
79.05483	11.4
81.07048	61.9
82.07378	1.2
83.08611	0.9
91.05466	17.9
93.07035	29.8
95.04970	1.4
95.08598	44.0
98.37585	0.7
103.05450	0.9
105.07020	26.8
107.08580	61.1
109.06528	1.4
109.10159	7.4
115.05417	1.3
116.06230	1.2
117.07016	11.4
119.06078	0.7
119.08569	29.8
121.10143	13.0
128.06212	1.4
129.06978	3.1
130.07761	7.4
131.08554	46.3
133.10115	10.2
134.10402	0.7
143.08511	3.9
144.09322	5.2
145.10107	97.2
146.10904	6.7
157.10120	3.1
158.10876	2.3
159.11681	42.6
160.12260	1.7
171.11684	2.1
173.13249	23.8
186.14053	1.5
188.95352	0.8
199.14874	0.9
201.16360	100.0
202.16676	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	201.1636
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03932	1.1
55.05506	4.4
57.07043	1.9
67.05501	9.0
69.07062	7.3
70.77592	1.9
79.05482	11.5
81.06595	1.1
81.07045	15.5
83.08598	1.1
91.05465	19.6
93.07034	25.0
95.04975	1.3
95.08593	20.1
95.21528	0.8
105.07023	24.6
107.08576	26.9
109.06491	1.0
109.10153	7.1
115.05421	2.0
116.06195	1.1
117.07001	18.7
118.96742	0.9
119.07701	1.4
119.08562	24.0
121.10126	12.7
128.06166	1.0
129.06966	3.0
130.07768	5.8
131.08551	35.1
132.08830	0.8
133.10104	10.7
143.08545	4.0
144.09294	3.0
145.10104	74.1
146.10753	2.8
147.11627	2.2
151.00389	0.7
155.12671	0.7
157.10081	2.8
158.10867	3.9
159.11671	42.4
160.12366	1.6
167.04013	0.7
171.11670	1.8
172.12404	1.5
173.13223	11.7
186.14050	1.7
199.14771	0.8
201.16354	100.0
202.16684	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	199.1327
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.76485	1.0
53.03918	0.9
55.05502	22.3
56.96552	1.5
57.07068	13.4
57.93550	1.1
62.57101	1.0
66.79403	1.0
67.05490	4.9
69.03426	1.8
69.07066	5.0
71.04982	1.1
71.25911	2.4
73.84011	1.0
74.09710	6.9
79.05482	3.7
81.07043	5.3
83.04966	8.7
83.08602	2.0
85.06529	5.8
91.05478	3.1
92.49767	0.9
93.07035	11.8
95.04941	3.1
95.08598	10.2
97.06529	6.7
100.07575	1.5
105.07022	9.4
107.08580	21.6
109.06505	4.4
109.10126	4.0
111.04430	100.0
111.08072	2.7
113.06004	1.7
116.97205	6.3
117.06986	2.2
119.08546	2.8
121.06461	2.6
121.10133	2.5
123.08044	1.2
125.05976	25.1
127.07522	3.1
128.06203	3.0
129.06995	3.0
130.07735	2.0
131.08553	1.1
131.99533	1.4
134.95912	1.0
135.08047	16.2
135.11684	16.4
137.13190	2.1
139.07544	3.8
140.04584	2.5
141.06937	1.2
142.07755	6.1
143.08551	8.5
145.10092	16.3
152.96965	2.1
153.12711	4.1
155.08589	1.4
156.09351	1.6
157.10114	10.9
163.11172	20.1
169.10094	2.4
171.11678	3.5
175.98499	3.3
181.04816	1.1
181.12210	25.4
184.12457	2.7
199.00198	1.4
199.07541	2.1
199.11147	1.6
199.13211	1.7
199.14838	17.5
199.18851	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
56.96561	48.2
57.07074	2.2
58.06584	0.5
66.74834	0.6
67.05501	0.7
69.03388	0.6
69.07066	1.9
70.06576	0.8
70.96615	1.3
70.98125	1.1
74.97635	0.6
75.13293	0.5
83.08608	1.6
84.08169	0.6
91.05482	0.5
95.06102	1.5
97.02854	0.8
97.06526	0.6
97.10173	1.0
98.97559	4.3
100.07648	0.5
107.00178	0.5
107.04942	1.3
110.97560	14.4
111.08144	0.6
116.97227	0.8
116.98615	2.9
119.01922	1.3
128.98596	23.3
134.99641	1.2
135.04372	0.5
140.04677	0.7
142.96512	1.0
146.99634	18.7
152.07045	1.0
156.98059	5.9
160.97572	1.0
161.01198	0.6
165.00682	4.0
170.01270	0.6
174.00702	0.8
174.99133	55.6
180.02827	0.7
193.00189	100.0
194.00529	1.2
198.00780	2.4
198.18512	42.5
211.01247	8.8
216.01689	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	199.0599
Annotation	2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.01580	0.3
51.02367	0.5
53.03942	4.1
55.01870	1.6
55.05501	1.5
56.05011	0.5
56.96548	0.4
57.07052	0.4
57.93540	0.6
59.06113	0.2
60.04518	0.2
65.03624	0.2
65.03935	3.3
65.05929	0.2
67.05502	3.1
67.63952	0.2
68.99767	0.3
69.03415	0.5
69.07054	1.0
69.31459	0.3
70.06577	0.4
70.07382	0.5
70.77271	0.5
71.04971	0.5
72.04486	0.6
72.08139	0.5
74.09344	0.3
74.09706	2.9
75.94573	0.4
77.03889	0.5
79.05463	0.6
81.03379	0.8
81.07032	0.8
82.04182	0.2
83.04974	0.5
83.08585	0.9
84.04485	0.2
84.08915	0.5
85.02894	0.4
86.06037	0.2
86.09693	2.1
91.05451	0.8
93.03374	0.9
93.07018	1.0
95.04958	28.7
95.08601	0.5
96.05270	0.3
97.02886	2.1
97.06506	0.7
98.10501	0.2
98.97532	0.4
100.07597	0.9
105.04494	2.7
105.07001	0.8
107.01317	0.3
107.08554	0.7
108.02074	0.5
109.02847	0.4
109.06492	0.4
109.10189	0.3
110.03643	1.7
111.04432	3.1
111.08071	0.3
115.05456	0.3
115.64355	0.2
116.97215	3.4
116.98540	0.5
119.08553	0.5
120.02061	0.5
121.02839	2.2
121.06554	0.3
121.10089	0.4
123.04418	11.6
124.04817	0.3
125.02339	15.3
125.05952	0.5
128.06219	0.6
128.07106	0.3
129.06934	0.4
131.99532	0.9
134.95885	0.3
134.99622	0.8
135.08026	0.3
137.02313	0.5
137.05965	0.5
138.03087	0.3
139.03896	1.2
139.11111	0.3
140.04665	100.0
141.04971	1.4
142.07745	0.5
143.08562	1.2
148.79124	0.2
148.96150	0.5
149.02306	0.5
152.96854	1.1
153.09081	0.3
153.12764	0.3
155.07011	11.9
156.07448	0.3
156.09355	0.5
157.10080	1.4
160.80464	0.2
166.02628	0.7
167.03355	1.4
170.97958	0.5
171.06519	0.4
171.07910	0.2
171.11703	0.6
173.08061	1.5
174.25862	0.2
175.98503	2.2
181.04944	5.1
181.08554	0.8
181.12119	0.3
184.03668	0.4
199.04031	0.2
199.05975	1.3
199.07582	0.5
199.11440	0.4
199.14972	1.4
199.18869	12.6
204.29210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.3
55.01875	1.3
55.05516	2.6
55.18184	0.5
57.07072	1.2
59.04992	3.9
62.23844	0.5
65.03929	1.2
67.05498	6.2
69.03430	1.3
69.07061	1.5
70.95872	0.6
70.97562	1.3
72.93809	0.7
73.02916	0.5
74.37745	0.5
79.05486	6.4
81.07050	5.8
83.04974	0.6
85.06538	1.0
91.05474	20.8
93.07037	26.6
93.25838	0.5
95.04962	8.6
95.08622	2.4
95.88032	0.6
99.65079	0.5
105.07025	31.6
107.04988	1.0
107.08586	75.1
108.08939	1.0
109.06516	5.5
109.10152	5.7
111.04417	0.8
111.08070	0.8
113.08242	0.7
115.05484	1.0
117.07018	1.0
119.04970	2.6
119.06085	1.1
119.08581	7.7
120.09336	0.5
121.06496	6.4
121.10145	1.5
123.04424	3.6
123.08100	0.6
123.11703	3.7
131.08530	3.5
132.95830	1.0
133.10120	72.5
134.10460	1.1
135.08049	2.0
135.11682	55.9
136.12007	1.5
137.05956	3.5
137.09601	5.5
141.05447	0.6
143.08539	1.9
146.07268	2.3
150.96889	1.9
151.03944	1.0
151.11166	6.7
161.09602	32.9
173.98479	1.0
179.10660	100.0
180.10963	1.4
182.10931	0.8
197.11719	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.29154	1.0
53.03943	19.2
55.01848	4.1
55.05504	8.6
57.03418	2.8
57.07072	27.4
59.04992	1.6
65.03935	2.0
67.05495	16.7
68.99778	1.3
69.03413	4.1
69.07070	5.2
70.42458	2.0
70.42854	3.6
70.95848	5.4
71.01352	8.7
71.04996	5.2
72.93769	2.7
77.03926	1.6
79.05077	1.2
79.05490	14.0
81.03410	26.0
81.07045	30.3
83.04972	2.2
83.08614	1.5
85.06537	11.5
88.96867	1.0
91.04918	1.1
91.05471	16.9
93.07043	15.8
95.04958	15.0
95.08609	8.2
97.02874	4.0
97.06510	9.0
105.07024	28.0
107.04957	1.6
107.08577	20.0
108.05746	2.0
109.06511	14.7
109.10134	8.2
111.04463	1.5
111.08024	2.5
111.98492	2.6
113.05951	2.2
113.08300	2.5
117.06979	1.3
118.07766	1.2
119.04935	1.8
119.08566	3.9
121.06475	2.8
121.10117	2.0
123.04404	4.4
123.08042	3.2
123.11695	5.7
125.05968	15.1
128.06244	1.2
129.99487	3.0
131.08569	3.0
131.96083	1.1
132.95818	7.7
133.10123	28.1
135.11676	10.1
136.05165	1.7
137.05983	11.0
137.08142	1.2
137.09598	2.2
138.06717	2.3
139.07524	1.6
139.11150	1.6
141.05447	50.0
141.09068	1.6
142.71689	1.1
143.08551	3.8
146.07202	1.3
150.96875	18.5
151.03873	3.0
151.11165	28.2
154.06232	1.7
155.08582	1.8
155.10634	3.4
155.97424	4.8
161.09612	14.1
169.08659	1.7
169.09990	1.4
169.12471	1.2
173.98451	11.1
179.10657	64.0
182.10922	1.6
197.00136	1.3
197.11714	100.0
198.18498	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.01741	2.3
53.03947	14.8
55.01857	4.3
55.05499	13.0
57.07066	3.8
57.69921	2.4
67.05499	17.8
69.03416	6.1
69.07055	18.7
69.47818	3.6
69.48221	16.7
70.95863	20.8
72.93769	13.0
75.91279	2.4
76.84222	2.4
77.03939	4.0
79.05477	24.2
81.03403	10.6
81.07051	38.5
83.04992	3.2
83.08609	4.0
85.06530	3.2
88.96892	7.0
90.94812	4.0
91.05461	23.3
93.07038	30.0
94.30544	2.3
95.04963	23.6
95.08589	9.6
95.91243	2.3
96.75079	2.5
97.06508	7.6
98.21468	5.9
100.14665	2.3
105.03390	3.4
105.04482	3.1
105.07031	28.7
107.08585	46.7
109.06513	68.5
109.10150	42.4
111.04434	5.5
111.98449	18.2
119.08562	8.3
121.06463	5.8
123.04404	20.3
123.08039	20.1
123.11687	15.4
125.05971	8.7
129.99496	10.8
130.36969	2.7
131.08583	3.5
132.95837	17.5
133.10123	45.3
135.08020	3.7
135.11656	17.5
137.05945	5.9
137.09607	4.3
138.06732	9.2
139.03894	5.5
141.05444	30.1
141.06485	3.3
141.06999	2.9
143.08519	4.4
150.96892	49.4
151.03903	6.9
151.07539	5.1
151.11163	100.0
151.12369	5.2
154.06204	7.2
155.08531	11.2
155.97415	16.0
156.09406	3.1
161.09605	19.0
167.03403	2.7
167.08543	8.2
168.09290	3.0
169.08551	8.4
169.10123	10.1
173.98476	37.2
179.10669	39.8
182.10902	14.2
197.00081	5.3
197.06042	2.9
197.08076	8.7
197.11693	34.0
197.13278	24.0
198.18509	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03931	2.8
55.01845	2.2
55.05503	4.8
57.03419	0.9
57.07051	1.2
59.04984	3.6
65.03912	1.3
67.05500	8.6
68.99769	2.2
69.03421	2.1
69.07050	2.9
69.87926	5.0
69.88234	1.3
70.95853	7.6
71.01343	1.4
71.04971	1.9
71.06084	1.4
72.93790	4.5
73.02872	1.0
79.05489	10.0
81.07046	9.2
83.04970	2.8
83.38230	0.9
84.04501	1.3
85.06496	0.9
88.96854	0.9
90.94823	1.1
91.05465	21.4
93.07032	22.7
95.04957	25.2
95.06061	1.4
95.08583	3.4
96.05558	1.1
97.06509	3.7
98.21541	1.0
99.04465	0.8
105.03378	38.2
105.06305	1.3
105.07017	33.3
107.08580	72.5
109.02892	0.9
109.06516	8.0
109.10136	8.3
111.08076	1.0
111.98456	6.5
113.08244	7.9
114.69550	0.8
117.06998	1.4
118.07895	1.0
119.04929	2.8
119.06058	0.9
119.08559	8.9
121.06487	7.0
121.10146	1.4
123.04428	7.3
123.08044	3.7
123.11724	4.3
125.05978	3.9
127.03905	1.0
129.99484	5.9
131.08546	2.9
132.95819	8.8
133.06516	1.1
133.10110	72.6
134.10429	1.3
135.08041	2.1
135.11673	55.3
136.05138	0.8
137.05957	7.3
137.08176	3.0
137.09605	6.5
138.06752	4.0
139.07549	1.5
141.05441	1.3
143.08514	1.9
146.07246	1.2
150.96869	22.5
151.03937	2.3
151.07533	1.9
151.11157	7.9
154.06166	1.4
155.09268	4.1
155.97409	7.9
161.09596	39.6
161.10945	1.9
164.89595	1.0
167.08659	1.1
169.08578	2.4
169.09932	0.9
173.98460	14.3
179.07140	2.7
179.10641	100.0
180.02818	1.1
180.10973	1.4
182.10886	1.2
194.41496	0.8
197.04340	0.8
197.05965	1.1
197.08066	2.0
197.11711	60.5
198.12204	1.0
198.18532	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01855	2.4
55.05509	8.2
57.07060	2.6
57.22263	1.0
59.04990	3.6
65.03936	2.4
67.05502	7.3
68.59246	1.1
68.99767	1.3
69.03413	4.5
69.07065	2.5
70.95579	1.0
70.95860	9.7
71.04970	2.4
71.07493	2.5
72.93797	8.1
73.02901	1.4
79.05489	9.6
81.03414	1.8
81.07047	10.8
83.04970	2.2
83.84630	1.1
84.04495	1.2
85.02858	1.3
85.06497	2.0
88.96882	3.1
90.94818	2.7
91.05472	23.1
93.06493	1.7
93.07036	27.3
95.04971	12.4
95.08614	6.5
97.06505	3.4
99.04444	3.6
103.05447	1.4
105.03365	1.5
105.07023	35.0
107.08582	75.6
109.06497	12.7
109.10152	9.2
111.08063	1.3
111.98457	9.7
113.05971	1.5
113.08258	2.3
113.96398	1.4
117.06960	2.1
118.07743	1.1
119.04951	3.2
119.08575	9.6
121.06464	6.8
121.10134	2.5
121.23373	1.1
123.04425	6.7
123.08057	3.4
123.11668	3.5
125.05991	13.3
127.03871	4.7
128.06186	1.4
129.99501	5.9
131.08539	4.1
132.95821	13.5
133.10117	78.8
134.10432	1.5
135.08031	2.3
135.11681	57.6
135.12717	2.8
136.12082	1.6
137.05959	16.0
137.08134	1.4
137.09592	7.4
138.06750	5.6
139.03883	1.5
141.05409	1.7
141.06989	1.5
143.08517	2.9
146.07240	2.1
149.02240	1.4
150.96877	34.2
150.98106	1.6
151.03845	4.4
151.07594	1.3
151.11157	9.9
154.06218	1.9
155.07047	1.3
155.08420	1.7
155.97403	9.9
161.09607	36.4
163.91512	1.1
167.03351	2.7
167.08517	1.6
168.97885	1.7
169.08577	6.2
169.10007	2.4
173.98480	22.6
179.03409	1.2
179.10655	100.0
180.02864	1.4
182.05836	1.4
182.10828	1.6
197.00038	1.8
197.04404	2.3
197.06030	1.5
197.08051	4.3
197.11707	60.9
197.13177	3.0
198.18518	4.9
213.74548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.5
53.03939	4.5
55.01862	1.8
55.05498	2.4
55.64508	0.4
57.03416	1.6
57.07067	1.0
59.04985	1.5
67.05495	2.8
69.03424	1.4
69.07054	1.8
69.76308	1.9
70.95855	5.0
71.04984	0.8
71.06075	0.5
72.08144	0.6
72.93781	3.2
77.03917	0.9
79.05480	7.5
79.63448	0.4
81.03409	0.6
81.07043	3.7
83.04977	1.3
83.06087	0.6
83.08588	0.4
83.77050	0.4
88.96876	1.2
90.94809	0.7
91.05470	8.8
92.02197	0.4
93.06484	0.7
93.07037	10.1
95.04952	17.8
95.08592	2.7
97.06527	1.1
98.20713	0.4
99.04460	0.6
103.05466	0.5
105.03378	100.0
105.07015	14.8
106.03690	1.3
107.04969	0.5
107.08578	26.0
108.08875	0.6
109.02827	0.6
109.06522	3.3
109.10144	3.3
111.04383	0.5
111.08100	0.6
111.98466	3.5
113.05991	0.8
113.08253	4.3
117.07014	0.9
119.04907	1.2
119.06059	0.9
119.08575	3.3
121.06499	2.6
121.10139	0.7
123.04403	4.9
123.08043	1.6
123.11709	1.4
125.05986	1.1
127.03837	0.6
127.07520	0.5
128.06154	0.5
129.99509	3.2
131.08502	1.2
132.95825	5.8
133.06456	0.7
133.10112	29.6
134.10492	0.5
135.08054	0.8
135.11670	21.3
137.05960	3.7
137.08200	0.8
137.09599	3.4
138.06699	1.9
139.03882	0.6
139.07538	0.5
141.05460	0.9
141.06845	0.4
143.08546	0.6
146.07272	0.7
149.80064	0.4
149.81311	0.4
150.95718	0.9
150.96878	14.8
151.03868	1.8
151.07539	1.0
151.11162	2.8
153.01843	0.5
154.06183	0.9
155.07146	0.6
155.09253	1.8
155.97398	4.8
161.09598	15.3
165.05331	0.5
167.03380	0.4
168.97859	0.4
169.08609	1.1
169.10109	1.1
173.98480	9.2
177.08920	0.4
179.03448	0.5
179.07126	4.3
179.10648	38.7
182.11020	0.5
197.04378	1.0
197.08035	1.5
197.11719	24.0
197.13248	0.9
198.18474	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01867	1.2
55.05502	2.1
57.07072	0.6
59.04987	1.5
65.03934	1.2
67.05497	3.1
69.03418	0.9
69.07053	1.2
70.13550	2.1
70.43752	0.4
70.95866	2.9
71.04977	0.6
72.93784	2.4
73.02900	0.5
79.05485	4.5
81.03423	0.4
81.07045	4.2
83.04957	0.9
86.09688	0.7
88.96890	1.3
91.05469	14.6
91.06023	0.8
93.07035	9.5
95.04965	2.4
95.06091	0.4
95.08608	1.4
96.05658	0.5
97.06522	0.8
99.04431	0.8
103.05462	0.5
105.03342	0.6
105.07021	20.9
107.04958	0.9
107.08581	100.0
107.64304	0.4
108.08938	0.9
109.06504	5.2
109.10146	5.7
111.04397	0.6
111.08238	0.4
111.98460	3.1
113.08244	1.8
113.96365	0.6
117.03200	0.4
117.06994	0.7
118.07781	0.5
119.04948	1.2
119.06062	1.2
119.08574	6.2
121.06487	3.1
121.10081	1.1
123.04437	1.2
123.08046	0.7
123.11653	1.2
125.05972	2.4
127.03919	1.2
128.06238	0.7
129.99504	2.2
131.08533	1.7
132.95824	4.3
133.02855	0.6
133.10115	57.7
134.10524	0.5
135.08104	0.6
135.11681	14.9
135.12727	0.7
137.05963	4.4
137.08151	0.6
137.09627	3.0
138.06647	1.2
139.07526	0.7
141.05498	0.7
141.06944	0.7
143.08549	0.9
146.07228	1.3
149.09613	0.6
150.96866	11.0
151.03880	0.8
151.07504	1.0
151.11148	4.8
153.24615	0.4
154.06184	0.9
154.51472	0.4
155.09322	0.7
155.97440	3.7
159.19235	0.4
160.35489	0.4
161.09596	16.9
167.10677	0.9
168.97890	0.4
169.08626	0.9
173.98471	6.7
179.03357	0.5
179.10655	24.5
180.06528	0.5
182.10873	0.7
197.07948	1.3
197.11708	46.3
197.13148	1.7
198.18524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.02901	0.3
52.03143	0.4
53.03936	0.7
55.01863	2.2
55.05491	0.7
56.96539	0.4
57.07067	0.7
62.48058	0.3
65.03932	2.7
67.01851	0.4
67.05497	2.4
68.05028	0.5
68.99768	0.8
69.03401	0.6
69.07043	0.8
70.06593	0.7
70.85918	0.4
70.86240	0.5
70.95852	4.1
71.01321	0.4
71.04967	0.4
72.93783	3.0
73.02910	20.4
77.03921	0.3
79.05471	1.1
80.02614	0.5
81.03392	0.6
81.07044	1.0
83.06105	0.4
84.04494	1.1
84.08140	0.5
85.02875	0.5
85.06530	0.4
86.09689	0.3
88.96886	1.1
89.03872	0.3
90.29652	0.3
90.94813	0.8
91.03927	0.6
91.05462	4.1
93.03382	0.4
93.07032	1.2
95.01316	0.4
95.04969	3.1
95.08589	1.0
96.05615	0.6
97.02914	0.3
97.07622	0.3
105.03389	0.5
105.04515	0.3
105.07004	1.5
107.04951	0.6
107.08575	3.1
108.02087	2.6
109.02856	0.7
109.06517	1.5
109.10120	0.9
110.03643	3.1
110.07211	0.5
111.04428	3.3
111.98460	3.7
112.07637	0.4
113.05990	0.4
113.08238	3.7
113.96400	0.4
116.89772	0.3
119.04925	2.2
119.08551	0.5
121.06506	0.4
122.07128	0.4
123.04417	1.5
123.08065	0.5
123.11680	0.4
125.05979	15.2
127.03842	0.4
129.99492	2.6
131.97392	0.3
132.95822	4.8
133.02820	0.8
133.10106	3.0
135.11670	1.6
136.01559	0.9
136.05199	0.4
137.05997	2.2
137.06898	0.4
137.08202	1.2
137.09595	0.5
138.06709	1.3
139.03847	0.4
139.07574	0.3
141.05464	4.2
149.05962	2.4
150.96872	12.3
151.03888	100.0
151.04985	8.9
151.07440	3.9
152.04260	1.5
153.09038	0.4
154.02585	0.9
154.06195	1.0
155.09331	1.7
155.97403	3.9
161.09599	1.3
165.05563	0.3
167.03386	0.5
167.08655	0.3
168.97957	0.8
169.08620	1.1
173.98468	9.3
179.07014	19.4
179.08992	0.6
179.10538	3.8
180.07487	0.4
182.02075	1.6
182.11002	0.4
197.00090	0.8
197.04424	3.5
197.06142	0.7
197.08078	6.1
197.10074	0.7
197.11746	2.3
197.13298	0.5
198.18492	1.8
200.03175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03920	0.7
55.01854	2.4
55.05495	3.3
57.03433	0.9
57.07064	1.2
65.03932	0.6
67.05496	8.5
68.99752	0.5
69.03413	2.0
69.07055	4.8
70.12662	2.2
71.04982	6.6
73.06525	0.4
74.01714	0.4
75.13113	0.4
77.03902	0.5
79.05482	7.8
81.03395	0.6
81.07042	14.4
83.04965	13.1
83.05470	0.8
83.08618	0.5
85.02888	0.7
85.06529	13.1
89.03897	3.5
89.06013	0.6
91.05463	10.3
93.07027	27.7
95.04971	4.7
95.08595	15.9
95.09106	0.3
97.06507	6.7
99.04443	3.5
99.08071	0.7
101.05983	0.8
103.05402	0.8
105.04459	0.4
105.07007	5.5
107.04941	5.6
107.08571	17.8
107.95724	0.5
108.08868	0.6
109.06504	11.1
109.10146	6.6
111.04402	0.7
111.08067	0.9
113.05971	1.0
113.09618	1.1
115.07552	1.4
117.03351	5.6
117.06985	4.3
119.08559	23.6
121.02855	0.5
121.06483	24.2
121.10107	5.1
123.04428	0.5
123.08034	1.5
125.05948	0.8
125.09618	2.6
127.03784	0.5
129.06967	0.8
130.96288	0.6
131.08540	4.7
133.10106	12.1
134.03566	1.0
135.04391	1.4
135.08037	6.5
135.11665	37.8
136.12036	0.5
137.09593	63.6
138.09918	1.0
139.07544	2.4
144.09305	1.3
145.02820	9.5
147.11703	0.5
149.05962	4.1
149.09521	2.3
149.13226	17.9
151.03893	1.1
152.04695	1.0
157.10088	0.5
159.11668	24.3
160.12006	0.7
163.03859	2.1
163.07486	0.7
167.07104	0.8
177.05441	13.3
177.06886	0.9
177.12712	48.4
178.13045	2.0
181.86105	0.4
195.02814	1.0
195.06502	6.7
195.13776	100.0
196.14168	2.5
196.16983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03941	5.0
55.01860	7.0
55.05502	4.7
56.96548	4.8
57.03427	19.1
57.07052	4.7
67.05499	20.0
69.03434	4.7
69.07069	28.1
70.77194	9.2
71.04967	9.5
79.05505	24.4
81.03389	5.8
81.07059	24.4
83.04970	5.5
85.02911	3.1
85.06556	14.9
86.86845	2.8
89.03919	17.4
89.06010	4.5
91.05470	18.2
93.07031	36.2
94.04182	3.6
95.04942	14.1
95.08599	31.8
97.06514	9.1
100.67887	3.0
103.05450	8.0
105.07011	18.9
106.04100	3.6
107.04962	16.5
107.08574	21.2
109.06511	7.5
109.10152	5.7
111.08079	6.0
117.03362	42.9
119.08568	12.5
121.02858	3.5
121.06524	19.2
121.10118	13.0
123.04387	5.7
123.08051	40.7
125.05933	4.9
131.08511	6.1
133.10106	10.8
134.03607	5.6
135.04395	12.7
135.08046	14.6
135.11671	23.8
137.02254	2.9
137.05942	6.8
137.09599	16.0
137.13216	2.9
139.07510	3.4
144.58904	3.1
145.02835	80.8
148.97363	3.8
149.05972	33.2
149.09543	5.8
149.13268	9.0
149.97174	4.1
151.03870	4.4
152.04648	5.6
153.05359	3.5
153.09087	3.6
159.11661	9.9
163.03885	20.1
163.07518	5.0
165.06827	5.3
167.03354	3.3
167.07108	2.9
167.08572	3.4
171.98978	3.7
177.05461	100.0
177.08920	3.0
177.12700	20.9
178.08476	3.3
183.02898	2.8
186.05507	3.3
195.02945	12.9
195.06516	56.2
195.08151	3.4
195.10120	8.0
195.11839	5.1
195.13803	22.9
198.05090	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	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03931	1.6
55.01880	3.0
55.05504	2.9
57.03428	0.8
57.07075	1.0
59.04989	0.9
67.05499	10.5
68.99772	2.0
69.03433	3.0
69.07067	5.1
70.21326	1.2
70.21713	1.7
71.04991	6.0
73.52351	0.7
79.05488	8.1
81.03410	1.7
81.06588	1.1
81.07047	15.5
83.04971	13.4
85.02895	1.2
85.06535	13.2
89.03900	4.9
91.05479	12.4
93.07037	31.4
95.04966	5.9
95.08601	14.7
97.06518	7.3
97.10162	0.8
99.04455	5.7
99.08076	0.9
103.05458	1.5
105.07016	7.8
106.04134	0.8
107.04951	7.3
107.08581	19.5
107.09308	1.1
109.06506	13.4
109.10155	7.6
111.04356	0.8
111.08071	1.0
115.07600	1.5
117.03373	9.8
117.07010	4.1
119.07694	1.1
119.08571	24.8
121.06498	25.4
121.10127	6.6
123.08039	0.9
125.05954	1.4
125.09621	5.1
131.08554	6.7
133.10114	11.5
134.03671	1.6
135.04425	3.1
135.08052	6.7
135.11682	43.2
136.12061	0.8
137.09604	68.3
138.09970	1.4
139.07523	2.8
144.09317	1.8
145.02835	14.4
145.03983	0.8
146.03168	0.7
147.11670	1.2
149.06004	4.9
149.09596	4.0
149.13242	18.6
152.04645	0.7
153.05525	1.0
153.09085	3.5
153.12706	0.7
159.11688	26.1
159.13022	1.2
160.12029	1.1
163.03899	2.9
163.07596	1.0
165.06885	0.7
167.07092	0.7
167.08464	0.7
171.98912	0.7
177.05466	18.8
177.12729	50.8
178.13057	1.7
195.02858	1.4
195.06575	6.6
195.08081	1.3
195.10101	2.6
195.13794	100.0
196.14153	3.2
198.05455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03937	0.8
55.01867	1.2
55.05504	1.9
56.05032	0.5
56.96561	0.7
57.03424	1.2
63.02365	1.0
65.03935	1.4
67.05496	1.7
68.96329	0.9
69.03417	0.9
69.07059	1.3
69.44893	1.6
69.45322	2.0
70.06571	1.1
70.94244	0.6
71.05006	0.7
72.08144	0.6
78.04726	1.3
79.05488	4.9
81.03414	1.4
81.04511	0.6
81.07064	2.4
83.04980	1.5
83.06094	1.1
84.08136	1.5
85.02886	1.5
85.06531	0.6
89.03907	28.5
89.05997	0.5
91.05471	5.7
93.03403	1.0
93.07056	3.9
94.04185	0.7
95.04967	4.1
95.06069	0.9
95.08589	1.0
97.02897	1.1
97.06535	1.0
97.07662	0.8
98.06008	0.6
103.05450	2.8
105.03383	0.7
105.04484	0.8
105.07021	3.6
106.04133	2.8
107.04957	3.9
107.08572	2.3
108.05625	0.8
109.02856	0.8
109.06515	2.2
109.07626	0.5
110.07155	0.5
111.04436	2.4
111.05523	1.1
111.08047	0.6
111.09209	0.7
116.06230	0.5
117.03367	48.3
117.07069	0.6
119.04943	0.7
119.08585	0.8
119.42407	0.5
121.02843	1.2
121.06497	5.5
121.10123	1.8
122.03558	0.6
122.07205	0.5
123.04410	1.5
124.05200	1.5
125.05972	2.0
125.07031	0.4
130.96295	1.0
131.04886	2.0
131.96204	0.5
131.97339	0.6
132.33328	0.5
134.03610	8.1
135.04405	10.6
135.08025	6.9
135.11710	1.3
136.05081	0.8
136.08694	0.9
137.02338	1.0
137.05965	2.3
137.06917	0.5
137.08226	0.6
137.09608	0.6
137.13194	0.5
138.06688	1.6
139.03897	1.3
139.04930	0.5
139.07507	1.0
139.11130	0.6
145.02829	85.0
146.03154	1.2
146.07204	0.8
147.04453	0.9
148.97314	2.8
149.02341	0.7
149.05962	24.1
149.09578	3.0
149.97139	0.7
151.03918	2.5
151.07497	0.6
152.04625	1.8
153.05446	4.2
153.07587	0.5
153.09114	1.2
153.97945	0.6
159.11656	0.6
162.03093	1.8
162.06844	1.0
163.03888	11.2
163.07503	3.0
165.06905	0.5
167.03395	0.9
167.06992	1.6
167.08508	0.5
171.98900	1.3
177.05450	100.0
177.16411	0.5
178.04851	0.6
178.06058	0.8
183.02895	0.6
186.05458	3.0
195.01134	1.0
195.02852	5.0
195.06497	16.3
195.08365	1.1
195.10147	3.3
195.11755	0.6
195.13867	0.7
195.15831	0.8
198.05215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03925	6.8
55.01860	5.5
55.05507	20.7
56.96552	2.8
56.97833	1.3
57.03428	7.3
57.07048	3.9
57.69141	1.2
65.03903	3.9
67.05496	71.5
68.96320	2.1
68.99780	4.8
69.03418	3.5
69.07064	18.8
70.06577	1.7
71.01337	4.5
71.04989	7.8
71.14067	2.6
73.87321	1.3
77.03923	1.5
79.05487	56.4
79.58000	1.4
81.03410	20.9
81.07048	100.0
82.07352	1.8
83.04965	16.8
83.08607	11.3
84.08189	1.5
85.02907	3.6
85.06538	6.0
85.10168	1.5
89.03908	16.0
89.06020	3.5
91.04902	2.8
91.05471	50.9
93.03420	1.3
93.07031	66.6
94.04214	1.8
95.04970	15.3
95.08594	35.8
97.06518	14.7
97.10162	2.3
99.08067	2.1
103.05455	4.1
105.04499	2.5
105.07009	17.8
107.04959	12.6
107.08582	34.8
109.02857	1.6
109.06500	9.2
109.10151	7.2
111.04439	3.7
111.08051	6.4
113.05993	2.1
117.03367	28.8
117.07002	14.9
119.08563	8.4
121.02914	1.8
121.06499	14.2
121.10110	10.7
123.04392	3.9
123.08076	4.2
123.11704	2.6
124.05215	2.4
125.05997	3.6
125.09611	3.3
130.96277	1.7
131.08557	15.0
133.02870	1.8
133.06483	4.7
133.10127	29.4
134.03630	5.9
135.04399	11.1
135.08035	14.6
135.11681	41.8
137.02301	2.0
137.05946	3.4
137.09610	5.8
138.06734	1.6
139.03894	1.9
139.07532	4.2
145.02837	52.9
146.03188	1.8
146.07315	1.6
148.97359	4.3
149.05986	19.7
149.09596	7.7
149.13242	22.4
149.97192	4.4
151.03896	6.0
151.11166	4.6
152.04681	6.3
153.05473	2.8
153.09068	10.0
153.97815	2.2
155.07063	1.9
158.05984	1.8
159.11685	18.9
163.03903	15.7
163.07576	4.7
165.05550	2.0
165.06917	2.8
167.07037	3.4
167.08580	2.0
177.05444	65.9
177.09076	4.1
177.12715	21.5
177.16405	1.9
178.08618	1.7
180.09305	2.5
186.05376	2.2
195.02959	7.1
195.06516	41.9
195.08078	4.1
195.10176	5.1
195.11731	4.8
195.13800	26.5
195.15649	3.8
196.09709	2.3
196.16847	1.6
198.05309	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	1.0
55.05504	1.2
55.63066	0.5
56.05028	0.6
57.03449	0.7
61.93884	0.4
63.02364	0.7
69.07061	0.6
70.06601	1.1
71.25951	1.1
77.03938	0.8
78.04697	1.8
79.05492	2.7
79.05869	0.5
81.03429	0.8
81.07023	0.7
83.04992	1.1
84.08149	0.9
85.02860	0.8
89.03913	28.8
91.05477	3.8
93.03345	0.6
93.07051	1.7
95.04956	1.9
95.08598	0.6
97.06541	0.5
103.05463	1.7
105.07025	2.0
106.04146	2.5
107.04948	2.6
107.08588	1.0
109.02902	0.6
109.06528	0.6
111.04422	2.2
115.11017	0.5
117.03371	49.3
118.03713	0.5
119.04980	0.6
121.02838	0.7
121.06491	4.1
121.10126	1.3
123.04427	1.0
125.06023	1.7
131.04918	0.5
134.03627	8.1
135.04404	8.3
135.08014	3.8
135.11702	0.5
137.05968	1.8
138.06711	1.6
139.03970	1.1
139.07474	0.9
145.02834	87.4
146.03151	1.3
146.07257	0.7
147.04361	0.8
148.97298	1.0
149.02328	0.6
149.05968	23.9
149.09619	1.4
149.10712	0.6
151.03879	1.0
152.04712	0.8
153.05424	1.7
162.03113	2.1
163.03894	9.1
163.07507	1.8
167.06952	0.7
177.05455	100.0
178.05823	1.9
186.05530	1.5
195.02861	2.1
195.06483	7.1
195.08281	0.8
195.10144	2.1
195.12070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.1
55.05510	1.1
56.96563	1.9
57.03440	0.6
57.07075	3.7
63.02369	1.0
65.03934	1.7
65.14023	0.5
66.20544	0.5
67.05487	1.3
68.05017	0.6
68.99800	0.8
69.03423	1.0
69.07053	1.0
70.06570	1.1
70.77484	1.5
71.39770	0.5
78.04707	1.0
79.05488	3.7
81.07047	2.5
83.04960	0.7
84.08128	0.8
85.02894	1.9
85.06525	0.5
87.96664	0.6
89.03910	21.4
89.06042	0.8
91.05476	5.4
93.03407	1.7
93.07028	3.2
95.04971	3.3
95.06081	0.7
95.08601	1.0
97.02889	0.6
98.97586	1.0
103.04882	0.5
103.05462	3.1
105.04514	0.6
105.07022	3.2
106.04163	1.8
107.04955	6.4
107.08596	2.2
109.02853	0.6
109.06524	1.5
109.07639	0.5
110.07125	0.6
111.04406	2.5
117.03368	46.5
119.04951	1.0
120.05631	0.5
121.02908	0.7
121.06488	5.2
121.10133	1.9
122.03626	0.7
123.04448	1.1
124.05221	0.6
125.05981	2.4
125.09617	0.6
130.96317	0.5
131.04922	1.1
131.08549	0.6
134.03618	7.7
135.04411	10.3
135.08040	5.8
135.11702	1.2
136.04947	0.7
137.05957	1.2
138.06705	1.7
139.03900	1.4
139.07521	0.7
140.04672	0.8
145.02831	84.0
146.03189	1.3
146.07269	0.6
148.97342	1.5
149.01241	0.6
149.02301	0.8
149.05965	25.3
149.09601	3.4
150.06425	0.5
151.03891	2.0
151.11130	0.5
152.04617	1.5
153.05452	3.4
155.07120	0.6
159.11743	0.6
162.03085	2.5
162.06804	0.6
163.03877	10.8
163.07568	2.9
165.06998	0.5
167.07034	2.0
171.98950	0.7
177.05452	100.0
177.12677	1.0
178.05911	1.5
183.02872	0.7
186.05469	2.3
186.99155	1.0
195.02904	6.0
195.04639	1.1
195.06516	13.6
195.08344	1.1
195.10141	4.2
195.13847	0.7
195.15660	0.5
198.05237	0.8
205.00443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03941	0.9
55.01868	0.9
57.03418	1.0
63.02369	1.0
65.03955	0.8
65.77142	0.7
67.05496	0.8
69.07083	1.0
69.43042	6.1
69.43372	1.4
78.04697	1.9
79.05489	3.4
82.96082	0.7
89.03913	33.4
89.59686	0.7
91.05467	4.5
93.03374	0.8
93.07047	2.7
95.04959	2.5
95.08601	0.9
98.20726	0.9
103.05464	2.3
105.07006	1.7
106.04182	2.9
107.04965	6.6
107.08565	2.6
109.02901	0.9
109.06515	0.8
111.04413	1.6
117.03369	57.8
119.04953	1.3
121.02831	1.1
121.06505	2.9
123.04405	1.2
124.05161	1.3
125.05991	2.0
125.33485	0.7
130.71939	0.7
131.04942	1.2
131.08542	0.7
134.03635	10.5
135.04413	12.1
135.08072	3.3
135.11732	1.1
137.02238	0.7
137.05965	1.0
145.02834	94.1
146.03189	1.8
149.05974	28.5
149.09584	1.2
151.03879	1.7
153.05470	2.2
162.03082	1.3
163.03888	13.2
163.07484	1.5
167.07007	1.7
171.95419	0.8
177.05455	100.0
177.12753	0.9
178.05864	1.4
186.05515	2.4
195.01210	1.3
195.02876	3.6
195.06621	9.0
195.10138	1.7
195.13832	0.8
198.05269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03920	1.5
55.01862	1.8
55.05503	1.5
57.03424	0.7
57.07054	0.7
63.02349	0.7
65.03930	2.7
67.05500	1.9
68.99786	1.5
69.03417	0.8
69.07070	1.0
69.92551	2.6
71.04997	0.9
78.04703	0.9
79.05480	3.8
79.58336	0.6
81.03396	1.2
81.07040	3.3
83.04967	1.7
84.08118	1.0
85.02869	1.1
89.03333	1.2
89.03902	22.9
89.06042	0.7
91.05471	5.1
93.07034	3.9
95.04951	3.3
95.08592	1.7
97.06514	0.9
98.15752	0.5
98.21442	0.6
99.04403	0.8
103.05438	3.0
105.07019	2.2
106.04152	2.1
107.04945	6.1
107.08566	3.6
109.06498	1.6
109.10117	0.6
111.04427	4.4
111.08038	0.7
117.03360	45.8
119.04955	0.6
119.08563	0.7
121.02818	2.6
121.06469	4.5
121.10117	1.9
123.04416	1.3
123.08001	1.0
124.05167	1.3
125.05970	1.3
131.04897	1.7
131.08553	0.8
134.03624	7.0
134.05951	0.6
135.04393	10.4
135.08015	4.4
135.11649	2.2
137.02328	1.0
137.05968	2.3
137.09566	1.3
138.06712	0.8
139.03844	2.3
139.07504	1.1
145.02821	82.1
146.03177	0.9
148.97343	1.6
149.02313	1.2
149.05957	24.8
149.09579	2.4
149.10654	1.1
151.03894	1.6
152.04665	1.4
153.01772	1.4
153.05411	2.2
153.09052	0.7
154.02605	0.6
158.06023	0.7
159.11667	0.8
162.03099	2.3
163.03882	16.5
163.07497	2.2
164.04445	0.5
165.06953	0.6
167.03351	4.2
167.07002	2.1
167.08353	0.8
167.10645	1.1
171.02792	0.6
177.05443	100.0
177.08871	1.8
177.12698	1.2
178.05753	1.3
180.09358	0.7
186.05489	2.8
195.01146	0.9
195.02864	13.5
195.06509	15.7
195.08134	1.3
195.10141	2.8
195.11790	1.0
195.13843	1.1
195.15619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.62771	0.5
53.03943	4.0
55.01855	2.8
55.05508	1.0
65.03933	1.3
67.05504	2.9
68.99783	9.7
69.03426	1.2
69.07064	0.7
70.65491	1.4
71.01333	1.0
72.33280	0.5
79.05493	7.4
81.03410	8.5
81.07056	6.1
83.04986	0.9
85.06546	0.6
85.91663	0.5
89.03928	1.7
91.05470	13.9
93.03400	0.9
93.07039	10.2
95.04961	7.1
95.08630	1.9
95.38107	0.5
97.06545	0.5
103.05463	7.7
103.06087	1.0
105.03403	0.7
105.04510	1.3
105.07011	0.8
106.04161	2.5
107.04944	4.7
107.08569	3.2
109.02873	3.5
109.06526	2.0
109.10127	0.6
117.03401	1.4
119.04902	0.7
121.02841	3.0
121.06496	15.0
121.10144	1.3
123.04440	0.8
125.05962	1.0
131.04947	2.2
134.03590	2.7
135.04399	3.3
135.08026	1.4
135.11690	2.7
137.06013	0.8
139.07571	1.3
145.02835	3.6
145.10080	0.7
147.04341	1.4
149.05969	12.8
151.03963	0.7
152.04706	0.9
153.05475	5.8
159.04428	0.8
162.03120	4.7
163.03917	1.2
163.11182	0.8
165.07004	0.8
167.08542	0.7
177.05455	100.0
178.05774	1.8
195.06509	70.4
195.11690	1.5
195.13748	6.2
196.06949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	0.9
55.01874	0.9
55.05502	1.1
56.05037	0.6
56.96565	0.6
57.03430	0.9
57.07071	0.5
59.45755	0.5
59.76700	0.5
59.99901	0.5
63.02377	0.6
64.04541	0.5
64.64454	0.5
65.03938	1.4
67.05504	1.3
68.99770	0.7
69.07053	0.7
70.06583	0.8
70.75378	0.5
78.04715	1.3
79.05489	4.5
81.03406	1.2
81.07045	0.9
83.04973	0.7
84.08134	1.0
85.02888	0.9
89.03908	27.7
89.06043	0.5
91.05462	5.0
93.03410	1.5
93.07036	2.6
94.05597	0.6
95.04977	2.9
95.06082	0.7
95.08587	0.9
103.05459	2.5
105.07014	2.1
106.04170	2.2
107.04958	3.9
107.08569	2.0
109.02858	1.0
109.06505	0.9
111.04419	2.8
117.03370	51.9
119.04926	0.6
121.02866	0.8
121.06510	4.4
121.10123	1.7
123.04413	1.3
124.05202	1.2
125.05976	3.5
130.96257	0.8
131.04921	1.1
131.08527	0.7
134.03622	9.1
135.04405	10.1
135.08026	5.1
135.11682	0.9
136.05054	0.8
137.02312	0.7
137.06003	0.9
138.06747	1.5
139.03900	1.2
139.07564	0.5
145.02834	83.7
146.03131	0.8
146.07275	0.6
147.04327	1.0
148.97354	1.0
149.02388	0.7
149.05969	22.9
149.09637	1.9
151.03883	1.6
152.04642	0.9
153.05449	9.9
158.06059	0.6
158.66815	0.6
162.03127	3.1
163.03888	11.4
163.07539	2.0
163.88881	0.6
167.07033	1.2
171.98978	0.7
177.05453	100.0
178.05853	1.2
186.05586	2.8
195.02896	4.7
195.04675	0.9
195.06535	11.7
195.08249	0.8
195.10115	1.9
195.15718	0.8
198.05191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.48495	0.7
53.03934	0.9
54.96746	0.7
55.01853	1.6
55.05507	10.1
57.07065	2.6
57.32928	0.8
59.05008	0.8
60.32759	0.7
67.05502	8.9
69.03417	1.1
69.07061	21.4
69.79894	3.7
71.04984	17.3
79.05479	8.7
81.03427	1.5
81.07046	21.9
81.07526	1.2
83.04985	1.1
83.08612	3.4
85.06533	12.4
87.98772	0.7
91.05479	8.4
93.07030	24.1
95.04957	30.8
95.08593	18.6
95.09179	1.3
97.06518	3.1
97.10160	8.0
98.21487	1.4
99.08073	3.5
103.05440	1.0
105.07015	15.5
107.04943	1.1
107.08580	31.1
107.09312	1.6
109.06503	100.0
109.10148	13.0
110.04494	0.8
110.06872	1.8
110.75797	0.7
111.08074	4.5
111.11720	2.3
119.08566	23.1
121.06456	1.1
121.10123	7.1
123.08042	7.3
123.11688	18.7
131.08578	1.1
132.05562	0.8
133.02853	3.8
133.06479	4.1
133.10110	24.3
133.11115	1.6
135.11678	30.2
135.12715	1.6
137.05974	2.2
137.09578	11.9
137.10460	1.1
145.10150	0.9
147.04398	0.8
147.11673	3.9
149.09621	0.9
149.13249	7.3
151.11180	6.2
151.14815	0.9
161.05911	3.5
162.06726	1.0
165.05516	1.5
165.09058	1.1
175.07523	1.2
175.14813	34.0
178.02583	3.0
193.04944	13.6
193.08574	2.2
193.10269	1.1
193.12222	2.4
193.15851	51.1
194.15985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03936	2.0
55.01873	5.8
55.05506	9.1
57.03435	1.1
57.07065	5.5
59.04993	1.2
67.05492	12.1
69.03410	2.1
69.07056	10.4
69.83673	3.6
70.06590	3.3
79.05474	7.9
81.03413	9.3
81.07049	12.1
83.04977	3.0
83.08608	4.8
85.06548	1.1
91.05463	14.7
93.07035	10.0
95.04957	6.7
95.08597	24.4
97.06527	0.9
97.09977	0.9
98.21408	1.5
103.05460	3.7
104.06184	0.9
105.07021	35.3
106.34138	0.9
107.04946	1.6
107.08598	10.6
109.06516	3.5
109.10142	23.2
115.05460	4.9
117.06991	3.4
118.04164	1.8
119.04983	1.1
119.08566	68.5
120.09340	0.9
121.06468	2.2
121.10133	7.5
122.03637	1.5
123.04430	1.1
123.08027	4.4
123.11703	2.5
129.06979	1.0
131.08554	2.4
133.02820	6.5
133.06499	15.0
133.10110	85.1
134.10448	1.2
135.08061	2.4
135.11679	24.3
137.05968	4.6
137.09604	7.5
143.06049	0.9
145.10098	6.1
147.04373	2.5
147.08017	2.0
147.11662	20.0
148.12051	1.0
149.13225	5.5
150.03084	1.5
150.06670	1.4
151.07529	1.2
151.11185	1.1
151.14818	3.9
160.12486	4.8
161.05969	14.9
162.06735	1.4
165.05469	3.1
165.09114	2.2
165.72134	0.8
175.07620	1.2
175.11371	2.4
175.14799	100.0
176.15181	3.5
178.02589	4.4
178.06239	1.0
193.04953	20.7
193.06870	1.8
193.08582	11.0
193.10466	1.3
193.12210	6.4
193.15865	19.6
193.17322	0.8
194.08144	1.5
194.15347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02374	0.6
53.03933	1.4
55.01867	5.2
55.05505	5.2
57.03454	0.5
57.07064	0.8
57.34566	0.4
65.03931	1.3
66.04707	1.0
67.05495	4.2
69.03411	1.0
69.07054	1.4
69.77780	2.5
70.06590	0.6
71.04983	1.9
72.14824	0.4
77.03925	0.9
78.04697	0.6
79.05483	15.7
81.03411	3.9
81.07039	4.7
82.04819	0.4
83.04973	9.0
83.08612	1.1
85.06534	1.3
89.03904	0.7
90.04684	1.1
91.05473	7.0
92.02610	0.5
93.07019	4.0
94.04173	0.8
95.04974	4.3
95.08596	4.2
97.06516	0.7
103.05453	15.5
104.06247	1.8
105.07016	100.0
106.07334	1.4
107.04948	1.2
107.08578	5.1
109.06482	2.3
109.10140	10.4
111.08063	0.5
115.05437	20.1
117.07043	0.7
118.04145	11.4
119.08562	5.5
121.06513	0.6
121.10110	2.4
122.03630	0.6
123.04410	0.8
123.08091	2.9
123.08825	0.5
123.11677	2.1
125.09533	0.6
129.06967	0.6
131.04922	4.3
131.08525	0.6
132.05670	3.0
133.02864	3.9
133.06474	84.0
133.10098	8.8
134.06836	1.7
135.04410	0.9
135.08067	0.8
135.11676	6.3
137.05905	2.3
137.09584	3.0
138.10382	0.7
143.04904	1.8
143.06026	5.5
145.10086	0.7
147.04358	1.1
147.08015	1.2
147.11646	2.4
149.02327	0.9
149.05917	1.4
149.09564	0.6
149.13202	0.8
150.03133	0.8
151.11156	0.9
151.14813	2.4
152.20796	0.4
157.10129	0.7
160.05171	1.3
161.05956	82.4
162.06401	2.0
165.05429	1.7
165.09056	1.1
165.16454	0.8
175.03851	0.5
175.07527	1.0
175.11168	1.0
175.14819	5.9
178.01207	0.5
178.02567	3.0
178.06203	1.3
193.04932	12.2
193.08569	29.8
193.12137	3.0
193.15857	11.2
193.17523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
51.02374	0.2
53.03937	0.2
55.01861	1.0
55.05493	0.2
57.03431	8.3
65.03930	1.1
65.58302	0.1
66.04708	0.2
67.05508	0.8
68.99777	0.3
69.03416	0.5
69.91100	0.3
69.91513	0.6
70.06595	0.7
71.09073	0.1
76.02035	0.1
77.03918	0.4
79.05487	1.4
81.03410	0.8
81.07053	0.6
83.04975	0.3
85.06561	0.2
89.03883	0.2
91.05473	100.0
92.05804	1.4
92.84281	0.1
93.07040	0.6
95.04961	1.2
95.08592	0.5
97.06527	0.3
98.38183	0.1
99.08099	0.2
103.05469	1.3
105.03378	0.8
105.07021	6.9
107.04935	0.5
107.08589	0.6
109.06513	0.6
109.10156	0.4
111.04482	0.2
111.08053	0.2
115.05454	1.3
118.04155	0.8
119.04919	0.5
119.08562	1.0
121.06514	0.3
121.10106	0.2
123.04404	0.3
123.08019	0.3
123.11749	0.2
124.68080	0.2
129.06992	0.2
131.04910	0.4
131.08600	0.2
132.05713	0.2
133.02826	1.8
133.06479	5.8
133.10121	1.0
135.04385	0.3
135.08078	0.3
135.11685	0.5
137.02246	0.1
137.05948	1.7
137.09616	0.3
143.06024	0.4
146.97404	0.3
147.04393	0.4
147.08032	0.3
147.11668	0.5
149.05940	0.3
149.09561	0.2
150.03107	0.4
151.03906	0.6
151.07597	0.2
151.11116	0.2
152.07085	0.2
161.02339	0.4
161.05966	5.6
162.06682	0.3
165.05472	0.9
165.09108	0.4
175.03929	0.2
175.07518	0.4
175.11209	0.4
175.14780	0.4
178.02591	2.0
193.04944	8.7
193.08577	7.3
193.12138	0.9
193.15865	0.5
194.05339	0.1
194.15329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.6
53.03933	1.8
55.01862	2.5
55.05482	5.5
57.03426	1.5
57.07045	2.5
59.04973	2.4
65.03934	1.6
67.05498	13.3
69.03400	6.0
69.07057	10.4
71.04984	28.2
71.07119	3.2
79.05484	12.7
81.07038	17.5
83.04949	5.1
85.06532	16.0
91.05472	26.1
93.06508	1.4
93.07036	22.8
95.04961	14.4
95.08598	23.2
97.06513	26.3
102.04635	1.8
102.98706	1.6
103.05447	5.4
105.06306	2.1
105.07020	52.3
107.04929	4.3
107.08579	65.9
109.06503	19.9
109.10141	17.5
111.08064	10.8
113.27872	1.5
115.05410	3.5
116.06236	3.0
117.06991	7.6
118.04144	3.3
119.06111	1.6
119.08566	26.0
121.06477	5.6
121.10131	64.6
123.08052	19.8
128.06201	1.7
129.07005	5.2
130.04112	2.5
130.07689	1.5
131.04898	5.4
131.08540	47.6
132.08916	1.4
133.10109	54.1
135.08032	40.6
135.11676	3.4
137.09674	1.7
143.08524	8.3
144.09332	2.1
145.10107	20.4
147.08055	2.1
147.11673	38.0
148.05136	1.8
149.09605	10.5
149.13243	27.5
158.10896	15.8
161.09593	3.2
163.07487	3.6
163.11134	3.7
163.14763	4.7
173.13243	64.4
176.04652	2.1
176.11940	1.3
191.03394	2.0
191.07050	6.4
191.10695	7.5
191.14284	100.0
192.14505	1.8
192.17299	1.4
205.26306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.36592	1.1
55.01844	3.3
55.05486	4.1
57.03412	1.9
57.07059	2.5
67.05495	13.1
69.03400	3.8
69.07057	14.0
70.65405	2.7
70.65743	1.3
71.04602	1.4
71.04979	14.7
73.02374	1.0
79.05482	7.6
81.07051	8.7
83.04948	4.7
83.08579	2.8
85.06529	6.4
85.89924	0.9
91.05460	15.8
92.73347	0.9
93.07027	16.2
95.04967	6.7
95.08594	9.3
97.06528	6.5
98.21505	1.1
103.05436	3.1
105.07015	22.1
107.08573	34.9
109.06509	14.8
109.10140	35.3
111.08089	1.3
115.05409	2.0
117.06969	4.2
118.04138	1.4
119.08549	8.9
121.06482	13.7
121.10123	31.0
123.08052	14.8
129.06978	2.7
131.04916	2.0
131.08546	29.3
133.06482	1.6
133.10098	22.6
135.08029	29.0
135.11652	3.0
143.08492	3.5
144.09276	1.7
145.06429	1.4
145.10123	9.5
147.11653	21.7
148.08812	1.2
149.09622	8.8
149.13208	10.1
150.10355	1.9
158.10909	8.3
161.09561	4.9
163.11102	1.7
163.14760	1.7
173.13232	34.5
176.11981	1.9
191.03366	2.1
191.07034	4.5
191.10654	4.5
191.14276	100.0
192.14592	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.22762	1.5
55.01867	4.2
55.05502	6.1
57.03426	1.7
59.04958	1.6
65.03928	1.8
67.05500	27.3
69.03413	6.2
69.07069	11.0
70.58913	3.9
71.04990	20.4
79.05492	13.1
81.07047	13.6
83.04958	4.1
83.08585	4.3
85.06545	9.0
91.05468	22.5
93.07030	20.2
95.04952	16.5
95.08601	16.4
97.06522	5.6
103.05463	3.2
105.07024	33.2
107.04946	3.3
107.08575	42.0
109.06500	29.3
109.10148	91.0
111.08053	2.8
115.05426	4.7
117.07029	8.5
119.08549	13.5
121.06479	6.5
121.10136	31.0
123.08077	16.6
123.11687	1.8
129.06961	4.3
130.07814	2.4
131.04929	1.8
131.08557	52.5
131.09535	3.0
133.10123	30.3
135.08043	89.5
135.11679	4.4
137.09538	1.9
143.08574	7.9
144.09349	2.7
145.10121	13.3
147.08018	3.9
147.11682	12.2
149.09602	18.2
149.13257	12.7
150.10361	2.9
158.10892	12.4
161.09616	3.6
163.07391	2.3
163.11128	2.8
163.14807	2.5
173.09552	1.8
173.13254	49.3
176.11955	2.6
191.06973	5.4
191.10663	5.6
191.14290	100.0
202.18922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	2.7
55.05499	7.6
56.96547	1.8
57.03418	4.9
57.07074	3.3
59.04990	1.8
60.04482	1.1
61.28861	1.1
67.05499	10.1
69.03408	8.5
69.07062	13.4
69.50710	1.2
69.72433	1.2
70.87334	1.3
70.87662	2.6
71.04984	7.6
76.24694	1.2
79.05486	15.0
81.07050	12.8
83.04961	4.3
83.06053	1.6
83.08596	4.5
84.04476	1.1
84.08154	1.4
85.06509	3.6
85.53253	1.3
86.09685	2.7
87.41293	1.2
89.03896	1.7
91.05470	28.9
93.06481	1.8
93.07026	20.3
95.04952	14.3
95.08592	11.7
97.06506	12.5
99.08092	1.9
102.04652	1.7
103.05460	7.8
105.07018	58.5
106.07328	1.5
107.04931	5.8
107.08578	40.8
109.06489	11.3
109.07623	2.1
109.10162	11.4
110.07153	5.7
111.08041	1.8
115.05415	5.3
116.06216	1.4
117.07001	14.0
119.08564	29.1
121.02862	2.2
121.06491	7.5
121.10136	28.1
123.08040	8.7
123.11703	5.0
128.06233	2.6
129.06990	5.0
130.07764	3.8
131.04973	6.5
131.06989	3.6
131.08553	51.1
133.06470	2.7
133.10114	100.0
135.04402	3.3
135.08037	24.2
135.11665	5.5
136.08755	1.3
143.08533	12.0
144.09309	5.7
145.06468	7.2
145.07498	1.9
145.08818	1.7
145.10107	32.7
146.05959	2.7
147.08052	3.1
147.11659	14.4
148.05125	2.8
148.08716	2.3
149.05933	5.1
149.09583	9.3
149.13255	31.4
150.10387	1.5
150.96884	2.6
155.04904	2.6
156.09396	1.3
157.10210	1.4
158.10909	20.2
159.04529	1.2
163.03926	4.7
163.07547	4.9
163.11150	4.8
163.14803	4.8
164.06898	1.4
171.11632	1.9
173.05933	8.6
173.09657	3.0
173.13243	71.5
174.13441	1.3
176.04776	1.7
176.11964	2.2
183.92029	1.2
191.03354	9.8
191.05360	2.1
191.06953	12.9
191.10626	8.3
191.14291	71.2
192.06511	2.9
192.10178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.97067	0.5
53.03934	1.0
55.01861	1.6
55.05507	4.6
57.03421	0.8
57.07059	1.5
59.04979	0.9
65.03921	1.1
66.70994	0.5
67.05508	4.2
67.33851	0.5
69.03082	1.0
69.03422	11.8
69.07066	6.0
70.66364	1.4
71.04978	2.4
72.93818	0.6
78.09363	0.6
78.16707	0.6
79.05482	6.9
81.07042	3.8
83.04973	9.9
83.08600	1.5
85.06528	2.2
87.83455	0.5
91.05474	12.3
93.07034	9.6
95.04951	2.5
95.08591	5.3
96.29109	0.5
97.06515	4.3
103.05444	2.5
105.07016	22.1
107.04932	2.4
107.08585	29.0
108.05621	0.8
109.06509	4.4
109.07549	0.9
109.10133	3.3
111.08039	0.9
115.05437	1.5
116.06221	1.1
117.07022	5.6
118.04147	1.1
119.08568	13.0
120.08078	2.7
120.08852	0.8
121.06527	5.9
121.09341	1.1
121.10139	15.0
122.07221	1.3
123.08057	4.9
123.11716	1.4
128.06219	0.7
129.06981	2.6
130.07747	0.7
131.04906	2.7
131.08554	22.8
133.06523	1.1
133.10117	49.7
135.08038	10.9
135.11676	3.4
143.08549	6.2
144.09311	2.4
145.06474	1.0
145.10106	13.5
146.05968	1.2
147.08015	1.0
147.11674	10.1
148.05153	1.0
148.08740	0.6
149.05951	1.5
149.09616	5.4
149.13234	10.6
156.09354	0.6
158.10892	9.5
161.09557	3.5
161.13246	0.8
163.03934	1.3
163.07536	2.6
163.11159	2.3
163.14801	2.2
173.06003	1.2
173.09631	1.3
173.13246	33.2
174.13551	0.7
176.04590	0.9
176.12006	1.7
188.48006	0.7
191.03369	1.3
191.07033	3.8
191.10742	3.9
191.14288	100.0
192.14584	2.0
197.25372	0.7
212.58681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.6
55.05502	5.6
57.03418	1.3
57.07056	4.6
60.04515	7.3
61.01143	13.2
65.03930	1.6
67.05492	6.2
68.05000	1.1
69.03426	7.3
69.07069	6.9
69.74680	6.4
71.04974	3.1
72.04100	2.3
72.04507	47.0
78.03780	31.3
78.11235	1.0
79.05476	8.1
81.06672	1.1
81.07055	10.5
82.25323	0.9
83.04961	5.5
83.08581	1.8
85.06548	7.5
86.06033	6.2
90.05540	1.4
91.05465	12.4
93.07039	11.2
95.04958	6.4
95.08597	7.1
97.06518	3.2
98.20811	1.2
102.03094	1.7
102.03751	25.6
103.02151	100.0
103.05455	7.0
105.07018	21.0
107.04926	6.3
107.08578	20.5
109.06494	6.2
109.10150	11.7
110.07153	1.0
111.08030	2.0
114.03760	17.0
114.05513	82.2
115.05440	3.1
117.06993	9.4
118.04124	3.4
119.04948	1.0
119.08562	12.4
120.04786	71.4
120.08075	2.1
121.02824	2.5
121.06467	7.3
121.10126	13.9
123.04438	1.0
123.08031	3.9
123.11677	2.8
128.06200	1.3
129.06990	3.5
130.04150	1.9
130.07782	2.1
131.04921	5.5
131.06375	13.1
131.08543	21.5
132.04767	18.8
132.05705	1.7
133.06454	1.8
133.10110	28.0
135.04375	3.6
135.08034	17.9
135.11653	3.6
137.13237	1.6
143.08527	4.4
144.09329	2.2
145.06485	2.5
145.10121	14.6
146.06006	7.9
146.07048	1.3
147.04402	1.9
147.07982	2.5
147.11681	7.7
148.05150	3.4
148.08710	1.3
149.06155	2.7
149.07413	47.2
149.09496	11.0
149.13248	7.1
150.10310	2.1
155.08543	1.3
158.10887	8.2
161.09589	2.8
162.05769	2.1
163.03813	3.1
163.07512	7.0
163.11145	1.7
163.14780	2.4
167.03386	2.0
173.05910	2.4
173.09602	2.8
173.13249	24.0
174.05803	9.6
176.04678	2.9
176.11952	1.7
191.03387	11.9
191.04991	1.4
191.05322	1.4
191.06956	13.1
191.08484	28.4
191.10626	8.8
191.14285	48.5
192.06526	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03920	1.4
55.01883	1.9
55.05487	4.4
57.07057	1.7
65.05045	1.3
66.04716	7.4
67.05476	6.2
69.03407	4.6
69.07069	7.0
69.17192	1.2
70.70483	1.5
70.70848	4.1
71.04964	2.6
71.24506	1.3
74.03178	1.2
75.82687	1.4
78.04689	1.7
79.05478	13.2
81.07043	8.9
83.04958	2.4
83.08594	3.2
89.03900	1.7
90.04707	6.5
91.05466	20.4
93.07042	12.5
95.04932	6.3
95.08610	14.2
97.06540	1.7
102.04673	33.0
103.05457	100.0
105.03344	4.6
105.07012	23.3
107.04932	6.4
107.08578	22.3
109.00298	1.3
109.06474	4.5
109.10163	9.5
109.67918	1.3
115.05444	9.5
117.03306	1.8
117.07011	12.2
118.04146	78.8
119.05006	7.1
119.08575	8.2
120.05708	3.3
121.06478	5.3
121.10122	17.1
123.08059	3.9
123.11703	1.7
129.07013	2.3
130.04132	66.3
130.05115	3.2
130.07762	1.9
131.04916	78.8
131.08566	12.8
132.05629	2.1
133.02821	14.8
133.06444	5.0
133.10107	13.3
135.04417	1.6
135.08029	16.4
135.11646	10.4
143.08502	1.5
145.06441	6.4
145.10083	12.0
146.03586	13.4
147.04417	18.9
147.11662	7.7
148.05179	35.4
149.01216	1.9
149.05893	1.7
149.09622	6.9
149.10611	1.5
149.13187	6.9
158.03607	4.8
158.10886	3.9
161.02295	2.6
161.05980	5.1
163.03841	2.4
163.07515	31.0
163.11118	2.6
163.14796	2.7
173.05975	13.6
173.09563	4.6
173.13278	13.5
174.06297	1.7
176.04671	76.5
176.08180	2.2
177.05003	1.5
191.03403	4.6
191.06993	93.6
191.10603	17.1
191.14273	50.7
191.17955	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
55.65523	1.2
56.96563	1.8
57.02123	1.1
57.03410	2.5
60.05624	1.3
65.03933	1.6
65.24951	1.2
67.05506	1.4
68.99776	1.6
69.03422	6.5
69.07040	3.4
69.47224	8.8
70.06572	5.1
79.05466	5.7
81.07032	3.2
82.34866	1.2
83.04956	3.4
84.04482	1.6
84.08135	1.9
85.02890	4.3
85.04831	1.7
86.09692	8.6
91.05470	13.1
93.07037	5.5
95.04940	3.3
95.08585	3.5
98.20776	2.6
102.88740	1.1
103.05445	2.8
105.07019	29.8
106.06554	1.4
106.07333	1.4
106.81796	1.5
107.08581	5.9
109.06523	1.7
115.05412	7.2
117.07001	6.4
118.06522	2.6
119.04881	2.2
119.06853	3.2
119.08563	49.4
121.06441	2.4
121.10119	2.4
125.25726	1.1
128.06184	7.6
129.06995	7.3
130.07742	6.0
130.08609	2.0
131.08578	11.4
132.05632	1.6
132.10213	1.5
133.06477	10.5
133.10121	11.4
135.08028	1.5
141.06981	11.5
142.07745	1.1
143.04895	1.3
143.08548	14.4
144.09294	4.8
145.06467	4.5
145.08385	1.8
145.10110	36.4
146.05995	1.5
146.07086	1.4
146.10828	2.1
147.04379	2.5
147.06331	5.5
147.08018	10.2
147.11665	25.7
148.08640	1.5
149.09341	1.5
155.08551	2.3
156.09329	68.1
159.08080	5.6
159.11668	14.9
160.05174	10.6
160.08839	1.5
161.05963	21.5
161.09599	6.8
161.13226	6.8
162.05415	2.0
162.10307	1.3
171.08031	3.1
171.11664	79.1
172.12018	2.3
174.10385	10.4
189.05388	10.2
189.07396	2.0
189.09084	18.5
189.12709	100.0
189.16252	7.1
190.13142	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03947	0.9
55.05504	13.0
57.07062	1.5
64.43990	0.6
67.05502	5.3
69.07060	16.0
70.56354	2.5
79.05481	6.6
79.32560	0.7
81.07045	11.2
83.08607	9.3
85.52302	0.6
91.05478	14.0
92.05764	0.9
93.07039	7.5
95.08595	16.3
97.10149	0.7
97.13912	0.6
103.05463	0.8
105.07018	37.8
107.08576	15.7
109.06551	0.7
109.10144	5.1
115.05395	0.7
117.07008	4.1
119.08563	66.9
120.08921	1.1
121.10130	11.0
129.07016	1.0
131.08556	7.1
132.09348	1.5
133.10112	100.0
134.10556	2.1
135.11668	2.0
143.08601	0.7
145.10118	9.6
146.10867	2.5
147.11665	61.8
148.12122	1.4
156.09341	2.4
159.08037	2.4
159.11697	4.2
159.12860	0.6
160.12480	3.9
161.09608	0.6
161.13255	11.9
161.14584	0.7
171.11665	2.7
174.10400	4.4
174.14006	1.8
184.55370	0.6
187.14706	1.0
189.08998	0.8
189.12746	14.5
189.16357	69.5
190.16666	1.2
190.24449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03944	1.9
53.11769	0.6
55.05505	8.5
57.07054	2.1
65.03922	1.0
67.05173	1.2
67.05499	13.8
69.03402	1.9
69.07062	10.0
70.06585	1.3
70.77229	2.6
79.05484	11.8
81.07047	34.4
83.04986	1.1
83.08622	5.0
85.02893	0.9
87.04447	0.7
91.05472	28.0
93.07033	14.2
95.04959	2.1
95.08599	49.6
97.10154	1.7
103.05470	2.1
104.06210	1.0
105.07018	71.1
107.08583	23.8
109.06485	1.0
109.10144	12.9
115.05392	1.2
117.07005	5.7
119.08571	100.0
120.01496	0.7
120.08882	1.2
121.10131	11.7
123.11723	0.9
128.06186	1.3
129.07042	1.5
130.07787	0.9
131.08545	8.1
133.05504	0.8
133.06447	2.0
133.10117	75.0
134.10486	0.9
135.11676	2.0
141.04550	0.8
141.07028	1.2
143.08556	4.0
145.06485	0.9
145.10107	7.8
146.10887	1.7
147.08014	4.4
147.11673	39.9
149.02356	1.8
156.09341	3.5
158.03247	0.7
159.08043	2.1
159.11668	2.6
160.12428	2.2
161.05910	1.5
161.09573	3.6
161.13261	16.5
161.14600	1.0
169.17703	0.8
171.08080	0.9
171.11690	7.3
174.10384	5.8
189.05388	2.9
189.09059	5.7
189.12686	19.4
189.16364	57.5
190.08557	1.1
190.13049	1.1
190.16849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50455	0.7
55.05487	2.2
57.57047	0.7
59.04989	1.2
67.05488	2.0
68.99760	0.9
69.03090	1.0
69.03426	14.7
69.07056	1.7
70.06570	2.1
76.46004	0.7
77.03912	0.7
79.05508	4.4
81.03413	1.0
81.07050	2.5
83.04973	2.1
85.02905	2.0
85.06573	0.8
87.00815	0.7
91.05471	15.3
93.07034	2.8
95.04971	3.5
95.08592	1.8
103.05417	1.7
105.07025	19.5
107.04937	1.1
107.08590	5.4
109.06489	1.6
111.67577	0.8
112.79523	0.7
115.05425	2.8
116.06192	1.5
117.07001	4.5
119.04962	3.5
119.08572	32.3
120.08883	0.8
121.06522	1.7
121.10125	2.6
128.06215	4.7
128.06992	0.8
129.07004	7.0
130.07745	2.6
131.08557	23.6
133.06483	4.9
133.10120	13.3
135.08031	3.3
141.06976	5.3
142.07726	1.1
143.04851	1.1
143.08546	9.7
144.09254	1.0
145.06479	3.3
145.10114	11.2
146.10820	2.4
147.08040	24.8
147.11679	16.5
153.15833	0.7
155.08533	1.3
156.09329	34.4
157.09700	1.1
159.08032	11.8
159.11676	6.3
160.05174	2.2
160.08842	5.0
161.05936	5.0
161.09612	7.5
161.13242	14.2
165.28099	0.8
171.11673	43.9
172.03885	0.9
172.12019	1.0
173.09549	1.0
174.06740	1.0
174.10382	25.6
189.05388	4.5
189.09161	6.5
189.12724	100.0
189.16338	3.1
190.04970	7.6
190.13052	3.0
199.16698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05507	2.6
56.96548	1.0
57.03410	1.2
67.05492	1.9
68.99785	1.8
69.03423	6.0
69.07034	2.0
69.74697	1.5
69.75101	5.4
70.06567	4.4
79.05466	3.8
81.07030	3.0
83.04990	2.0
84.08120	1.6
85.02911	7.5
87.00809	1.7
90.12993	1.1
91.05476	15.5
93.07022	2.8
93.77182	0.9
95.04974	2.7
95.08598	2.1
98.20870	2.1
103.05448	2.4
105.07026	26.1
107.04937	1.3
107.08582	4.9
109.06496	1.2
109.07641	1.4
114.04527	1.2
115.05447	5.7
117.07021	7.1
119.04972	2.1
119.06819	1.0
119.08572	30.4
120.08072	1.0
121.06480	1.2
121.10106	1.7
128.06207	6.1
129.07005	7.1
130.06786	1.0
130.07774	3.0
130.08627	1.8
131.08562	14.7
132.05745	1.5
132.06763	1.0
133.06482	6.3
133.10117	12.5
135.08105	1.1
141.06976	9.2
142.07767	1.6
143.04903	2.2
143.08551	13.9
144.09276	2.2
145.06464	3.0
145.10114	22.3
146.10867	1.8
147.06360	2.3
147.08047	12.6
147.11671	22.4
148.08627	1.2
149.09477	1.9
155.08536	3.3
156.09335	60.0
159.08026	8.0
159.11700	13.5
160.05191	3.9
160.08807	1.7
161.05954	9.6
161.09595	5.9
161.13252	6.1
171.04341	1.5
171.07997	2.7
171.11670	66.6
172.11984	1.6
173.09547	1.0
174.06783	2.3
174.10393	13.9
189.05397	6.9
189.07541	2.0
189.09055	10.1
189.12720	100.0
189.16275	6.0
190.08498	1.3
190.13098	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01621	0.4
53.03942	0.8
55.05503	1.1
57.07067	0.8
57.09032	0.3
59.05000	3.0
59.76194	0.4
65.03933	0.8
67.05505	0.9
69.03418	1.5
69.07062	1.3
70.06595	0.8
70.96983	0.3
71.52808	0.8
77.82726	0.4
78.36174	0.5
79.05471	2.2
81.07047	1.2
83.04972	1.4
85.02914	0.8
91.05473	69.3
92.05814	1.3
93.07018	1.5
94.17323	0.4
95.04953	1.2
95.08610	0.7
103.05441	2.5
105.07020	13.3
106.07263	0.5
107.08570	1.5
109.06503	1.9
115.05452	3.9
116.06222	9.7
117.07008	7.8
119.04934	11.9
119.08569	64.2
120.08908	1.6
120.64217	0.4
121.06529	0.6
121.10194	0.5
128.06207	4.0
129.06993	18.5
130.07822	2.4
131.08549	100.0
132.08884	2.0
132.90126	0.4
133.06494	3.3
133.10107	5.4
141.06976	4.1
142.07770	1.6
143.06053	0.5
143.08546	10.6
144.09264	0.7
145.06459	2.3
145.10109	8.7
146.07254	0.6
146.10783	1.1
147.08031	58.5
147.11674	7.7
148.08427	1.4
149.90353	0.4
155.08519	2.0
156.09326	30.7
157.09669	0.8
159.08032	2.8
159.11674	3.9
160.08852	0.9
161.05989	1.3
161.09637	2.3
161.13232	2.6
171.11673	35.4
172.11986	1.2
174.10364	3.0
187.11057	0.6
189.05447	1.5
189.09055	2.2
189.12718	29.3
189.16360	1.7
190.13048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40720	1.0
73.09201	0.3
91.05463	3.8
103.05469	0.3
115.05453	5.9
116.06241	0.5
117.05718	1.5
117.07019	4.9
118.06528	70.2
119.06852	1.2
128.04950	0.5
132.08047	0.8
133.87708	0.4
135.02142	0.4
142.06505	6.8
143.07294	12.2
143.08418	0.6
144.04460	0.9
144.08072	24.6
145.06476	1.2
145.08394	0.9
146.05995	100.0
147.06340	1.9
155.06001	1.1
160.07567	0.5
170.05998	9.2
188.07042	16.6
189.07368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19108	0.5
70.06566	0.5
70.53929	1.2
86.27283	0.5
91.05472	3.6
92.05798	4.9
93.57361	0.5
95.54562	0.4
98.21470	0.5
104.05824	0.5
115.05418	2.2
116.05768	7.7
117.07011	0.7
118.06564	28.8
118.07355	5.0
119.06869	69.1
122.19964	0.5
122.83511	0.4
133.08446	0.7
142.06500	0.9
142.19424	0.5
143.06836	6.5
144.07614	16.6
145.04790	1.1
145.08423	28.6
146.05984	25.1
147.06342	100.0
148.06622	1.5
156.06424	0.9
161.07983	1.1
171.06342	10.9
175.98790	0.5
189.07408	26.8
190.07542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05490	1.8
57.03433	0.9
58.99562	1.4
60.05637	1.4
67.05472	2.7
69.03417	7.1
69.07050	2.5
70.06591	5.8
71.04405	1.6
71.04730	0.9
72.08141	2.2
79.05476	3.3
81.03419	0.9
81.07053	2.7
83.04989	1.5
84.04481	1.0
84.08119	1.7
85.02866	2.6
86.09686	4.7
88.90823	0.8
91.05471	11.7
93.07026	2.1
95.04989	2.0
95.08570	2.1
103.05453	2.5
105.07017	18.7
107.04921	1.3
107.08569	3.2
109.06520	1.0
113.07108	1.6
115.05425	6.5
117.07012	6.6
119.04927	0.9
119.08566	28.2
121.06541	1.4
121.10114	2.0
122.00077	0.9
128.06221	6.2
129.06973	5.2
130.06381	1.0
130.07738	6.5
130.08629	1.8
131.04886	1.5
131.08562	8.4
133.06451	5.2
133.10098	12.3
135.08081	1.2
141.06975	10.6
142.07761	1.5
143.02650	1.0
143.04823	1.2
143.08546	13.1
144.09323	2.2
145.06461	4.4
145.10107	21.2
146.07158	1.9
146.10815	1.3
147.04407	1.3
147.08023	9.4
147.11676	17.0
148.08656	1.1
149.09451	1.6
151.76660	1.0
155.05992	1.3
155.08510	3.7
156.09328	60.9
157.06494	2.1
157.09685	0.9
159.08054	6.4
159.11678	16.4
160.05182	3.1
160.08801	1.6
161.05969	10.1
161.09563	6.3
161.13260	5.3
171.04373	1.8
171.08167	2.2
171.11667	77.9
172.11983	3.0
174.06769	2.2
174.10379	9.8
189.05421	8.3
189.09114	12.5
189.12715	100.0
189.16309	3.9
190.06348	1.1
190.08635	1.1
190.10869	0.9
190.13062	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03936	1.4
55.05508	1.5
56.05025	0.6
56.96568	1.0
57.07073	1.4
67.05512	2.9
69.03424	2.6
69.07047	1.8
70.87178	1.1
70.87521	0.9
71.04978	0.7
76.76393	0.6
79.05468	3.4
81.03413	5.0
81.07049	7.4
83.08571	0.7
84.04505	2.9
85.02895	2.5
88.02209	3.7
91.05470	9.5
93.07038	6.2
95.04961	1.3
95.08598	4.9
97.02905	1.0
99.04417	0.8
103.05434	0.8
105.07021	17.4
107.08583	4.1
108.40087	0.6
109.02882	1.4
111.04427	0.8
115.05436	1.9
116.06233	1.2
116.44734	0.6
117.06996	16.7
118.03686	0.8
119.08566	13.4
127.03876	1.2
127.05829	0.8
128.06218	1.9
129.06982	4.3
130.07797	6.8
131.04921	2.7
131.08559	25.7
132.09087	0.6
133.10103	3.3
141.06972	1.4
143.04897	0.7
143.08551	7.4
144.09326	6.6
145.10106	100.0
146.03177	0.9
146.10464	2.5
157.10089	5.1
158.10895	4.0
159.08099	1.4
159.11679	62.5
160.12007	1.3
169.10007	1.1
171.75282	0.7
172.05074	0.7
172.08815	1.3
172.12463	3.7
187.03873	3.7
187.07570	2.2
187.11227	5.5
187.14798	53.7
187.22546	0.8
188.06911	0.6
188.15123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.15269	1.5
53.03931	2.1
55.05507	3.9
56.96557	4.8
57.03417	2.5
57.07074	4.2
59.93719	1.5
65.03923	2.7
67.05517	9.0
69.03429	11.6
69.07053	4.8
69.30676	3.5
69.31072	15.7
71.04965	3.1
79.05491	13.1
81.03420	14.2
81.07051	36.1
82.06556	1.9
83.04968	1.6
83.08602	2.5
84.04493	8.2
85.02893	9.2
85.06508	1.6
86.03225	2.9
88.02201	10.5
91.05476	29.1
93.03406	1.7
93.07049	20.8
95.04948	3.8
95.08599	13.5
97.02875	3.4
99.04404	3.8
103.05440	3.5
105.07022	29.6
107.08595	11.0
109.02895	4.3
114.05549	3.8
115.05436	7.1
116.06223	2.1
116.22354	1.4
117.07013	20.1
118.06538	2.0
119.08567	30.8
126.05458	2.8
127.03945	3.8
127.05846	1.7
128.06158	4.0
129.07008	9.7
130.00572	2.4
130.07779	9.0
131.04050	2.0
131.04893	10.0
131.08556	60.5
132.09344	1.9
133.10123	3.0
141.06964	4.5
143.04865	4.1
143.08525	13.8
144.05704	5.6
144.09314	6.8
145.06450	4.7
145.10112	100.0
146.03162	2.0
146.05933	2.6
146.10446	1.9
155.04858	1.6
157.10121	7.4
158.00139	2.2
158.07277	2.6
158.10878	4.7
159.04430	1.9
159.06906	4.8
159.08054	10.6
159.11678	37.7
160.11987	1.9
169.10072	4.1
172.01608	3.0
172.05209	2.5
172.08757	2.9
172.12436	6.8
173.00897	2.9
173.02399	16.6
187.03880	18.8
187.06041	3.3
187.07541	15.4
187.11206	20.8
187.14803	72.8
188.04532	5.1
188.06990	1.9
188.09224	3.2
188.15146	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	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.93204	0.5
62.44615	0.5
71.41091	0.5
71.41415	0.7
73.21132	0.5
88.49538	0.5
90.29010	0.5
91.05470	4.0
103.05467	0.7
110.73916	0.4
115.05441	6.4
115.88088	0.4
117.05770	1.3
117.07004	3.9
118.06525	61.7
119.06850	1.0
132.08080	0.8
142.06503	5.6
143.07285	10.6
144.04384	0.9
144.08067	22.6
145.06450	1.2
146.05991	100.0
147.06329	1.3
155.06053	1.3
160.07585	1.1
170.05988	8.4
188.07045	22.1
189.07300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0603
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	1.4
55.05493	0.9
55.71900	0.3
56.05023	1.5
56.96556	31.0
57.03424	2.9
58.06602	0.5
60.08155	1.2
60.95850	0.7
61.02929	1.9
65.03933	3.1
67.05498	2.5
68.05022	1.3
69.03410	3.6
69.07056	0.8
69.82278	2.1
70.03782	0.4
70.06591	3.5
71.01366	0.4
71.04996	0.9
71.95265	1.9
72.08141	1.5
73.02898	3.3
74.97596	1.4
77.00814	0.4
79.05469	0.6
80.05013	1.3
80.94962	0.8
81.03423	2.1
81.04522	1.0
81.07047	0.4
82.06570	1.7
82.99854	0.6
83.04972	0.4
83.06084	0.9
84.04485	1.3
84.08126	3.5
84.96021	1.7
85.02888	4.6
86.03635	0.5
86.06049	1.2
86.09694	5.9
87.04462	0.4
89.00792	0.7
91.03957	0.4
91.05467	1.1
92.01258	0.5
92.04993	1.8
93.03394	0.7
94.06564	0.6
95.04955	3.1
95.06074	0.9
96.01541	0.5
96.04479	1.0
96.05298	1.1
96.08109	0.8
97.02873	4.6
97.06548	0.6
97.07641	0.8
97.99159	0.7
98.01267	1.0
98.06072	0.7
98.21417	0.7
98.97564	8.8
98.98475	0.9
99.04443	0.7
101.00853	6.2
101.95010	9.9
102.00943	0.4
102.97007	0.6
104.04975	0.6
104.10725	1.3
105.03368	0.8
106.03689	0.9
107.01852	0.4
107.04932	1.4
108.01502	0.7
109.02893	1.1
109.07635	1.2
110.01258	0.5
110.06046	2.3
110.07167	1.2
110.97553	1.8
111.04443	0.9
111.09214	0.6
112.00980	0.8
112.07590	0.5
113.07091	0.5
116.00211	0.7
116.98602	7.9
117.01986	0.6
118.01035	0.7
118.03510	0.6
119.01898	57.4
119.04906	0.9
119.96046	5.7
120.02015	3.0
120.04454	2.3
120.97911	1.4
121.01609	0.9
121.97581	1.4
122.03648	0.5
122.06075	0.6
123.04411	15.5
123.09075	0.5
124.02509	0.6
124.03958	0.7
124.04728	0.5
124.07597	1.1
124.08638	0.6
124.99969	4.0
125.02330	0.5
125.06094	0.9
125.07124	1.4
127.03917	0.8
128.02293	2.2
128.07062	0.4
128.98599	3.7
130.02740	0.4
130.08612	0.6
130.51433	0.4
131.00148	0.7
131.01868	1.4
132.01997	0.5
133.01579	1.4
134.01239	0.4
134.99632	8.0
135.01938	0.5
136.04645	0.4
136.07576	1.2
137.02953	31.0
137.97083	7.2
137.98094	0.5
138.03014	1.5
138.05469	6.0
138.08119	0.6
138.09114	0.6
138.10181	0.6
138.98906	1.6
139.01581	0.5
139.03871	0.9
139.08652	0.7
141.02104	0.6
142.02458	0.9
142.03487	11.8
143.00139	1.7
143.01820	1.2
143.03635	0.6
144.04788	0.9
144.98105	0.7
145.01443	0.5
146.99637	5.1
147.04353	0.7
148.03905	76.1
149.01192	0.8
149.04259	1.8
149.07147	0.4
151.03856	1.6
153.00667	1.3
155.00215	0.4
155.98105	3.1
156.03387	1.3
156.07655	0.9
156.11317	0.5
157.03383	0.5
157.06410	0.5
158.01224	0.8
158.62779	0.4
158.99593	0.8
159.03238	1.3
160.03075	0.7
160.04514	5.5
160.95978	1.0
160.97493	0.8
160.98743	1.3
161.01228	4.0
161.02924	5.0
161.04604	1.7
162.99132	0.6
163.02632	0.8
165.00662	0.9
165.05154	0.5
165.96501	1.1
166.04971	100.0
167.03339	0.5
167.05345	1.8
167.08157	0.9
170.01302	0.5
170.99570	0.9
173.02850	0.9
174.03088	0.6
175.04066	0.4
176.02373	0.4
177.00705	1.5
178.98553	0.9
178.99954	1.1
179.02263	2.0
179.03979	5.3
179.05582	1.0
183.97467	0.8
184.02795	0.6
184.04503	1.0
184.06026	12.0
184.07384	3.5
184.09627	1.1
184.10870	1.1
185.01208	0.5
185.02777	0.4
189.00677	0.9
189.13254	0.4
195.01653	0.4
197.01196	1.4
201.00606	1.2
202.03775	0.8
202.05498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03945	0.7
55.01873	0.9
55.05505	2.3
57.03402	0.5
57.07064	4.2
65.03933	0.5
67.03046	0.5
67.05495	8.1
69.03422	2.2
69.07053	3.4
69.87934	3.1
71.04971	0.7
79.05484	6.4
81.03403	3.0
81.07042	6.1
81.28339	0.5
83.08611	1.2
83.72882	0.5
84.04501	1.3
85.02892	1.2
85.04823	0.5
88.02220	2.0
91.05466	20.2
93.07032	5.4
95.04966	2.1
95.08598	4.3
97.02910	0.6
103.05466	1.4
105.07014	27.3
107.04992	0.7
107.08555	2.9
109.02845	0.9
109.10114	0.9
115.05370	3.0
116.06210	2.2
117.07005	22.1
119.08565	17.8
121.06537	0.5
121.10128	2.1
122.76559	0.5
127.03865	0.8
128.06184	2.6
129.06995	8.0
130.07793	5.8
131.04947	1.4
131.08549	58.5
132.08852	0.8
133.10133	4.6
141.06961	2.3
142.07779	3.0
143.08549	6.2
144.09325	5.9
145.06483	2.6
145.10104	100.0
146.10428	3.0
154.07726	1.8
157.10124	6.4
158.07275	1.1
158.10904	2.1
159.06903	0.7
159.08035	2.0
159.11676	22.5
169.10124	2.8
172.08807	1.5
172.12445	3.0
173.00760	0.9
185.13251	0.9
187.03807	2.7
187.07709	0.9
187.11218	9.5
187.14792	80.0
188.03607	0.6
188.09171	0.7
188.15112	3.1
188.63834	0.6
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	2,6-Dimethoxy-benzoic acid
Peak:m/z	Relative Intensity
53.03946	2.7
55.01867	0.8
55.05489	0.9
56.96543	0.5
57.03420	0.9
59.05001	0.4
64.25497	0.3
65.03928	0.5
65.08437	0.4
67.01856	6.0
67.05492	2.7
68.99785	0.7
69.03415	0.9
69.07045	0.8
70.71404	1.2
71.04974	0.6
77.03911	0.7
79.05489	3.8
81.03397	1.2
81.07051	3.9
83.04986	0.3
85.02901	0.6
85.06535	0.5
91.05467	1.6
93.07024	0.8
94.04196	2.0
95.04962	11.6
95.05958	0.4
95.08588	2.3
97.02861	0.5
97.06512	0.7
98.98451	5.1
99.04456	1.8
101.02354	0.5
101.95034	3.8
105.03387	9.1
105.04507	1.1
105.07008	0.8
107.04965	0.6
109.02871	1.0
109.06511	13.0
109.10137	1.1
113.06031	0.7
116.99509	0.4
119.08589	0.7
119.96077	2.5
123.04417	7.8
123.08037	1.5
123.11671	0.9
124.05202	0.5
125.02354	0.7
125.06111	0.6
125.07056	0.6
126.03132	0.8
127.01565	1.3
133.02820	1.1
137.02400	0.6
137.05969	34.3
137.09621	1.1
137.97084	2.9
138.06342	1.0
139.03952	0.4
139.07523	0.6
140.04674	3.1
141.05450	28.5
142.03423	0.5
142.05789	0.6
143.08409	0.4
153.06969	0.9
155.06995	1.8
155.08533	1.4
155.98166	1.2
160.04550	1.0
160.98724	0.6
165.05466	49.2
166.05797	1.2
168.09262	2.1
183.06522	100.0
183.11720	2.4
184.06833	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	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42363	0.3
56.05023	0.3
56.96532	0.3
59.00706	0.3
69.92549	1.4
82.99831	1.3
98.97598	0.4
100.02483	0.4
101.00867	19.1
101.94955	0.3
102.00973	0.7
119.01906	100.0
120.01969	3.7
121.01622	0.5
124.02402	1.7
137.02939	36.2
138.02995	1.3
142.03479	24.4
143.03612	2.0
158.06560	0.4
160.04535	8.4
161.02946	7.3
161.04642	2.6
162.03096	0.5
162.04329	0.5
165.05083	0.4
179.03990	13.3
179.05553	0.7
180.04143	0.5
184.04567	0.5
202.05545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01875	0.3
55.01852	0.6
55.05492	0.4
56.05032	0.6
56.96559	10.0
57.03418	0.9
59.04994	0.4
60.04508	0.4
60.95836	0.4
61.02906	0.6
65.92612	0.7
67.05495	0.3
68.05037	0.3
69.03416	1.4
69.07058	0.5
69.19772	0.3
69.92689	1.5
70.06567	1.0
70.98102	0.4
71.95258	0.7
72.08141	0.5
73.02914	1.4
74.97601	0.5
80.94940	1.9
81.03418	0.4
81.04519	1.0
82.06562	0.4
82.99846	0.9
84.04484	0.6
84.08119	1.1
84.96023	0.6
85.02895	2.4
86.03548	1.3
86.06025	0.3
86.09711	1.9
89.02535	0.3
90.01524	0.4
91.05473	0.3
93.07052	0.3
94.06555	0.3
95.06079	0.4
97.02883	1.2
97.55707	0.3
98.09687	0.3
98.20788	0.3
98.97576	4.4
99.04414	0.3
100.02477	0.8
101.00867	14.3
101.95036	2.2
102.00964	1.0
102.02269	0.6
102.96859	0.8
103.02325	0.3
104.01292	0.3
104.10731	0.6
109.02885	0.5
110.07124	0.5
111.04466	0.3
114.03006	0.8
115.00681	0.3
115.02415	0.8
116.00230	0.5
116.01177	0.3
116.98615	3.9
117.03977	1.2
118.03526	0.9
119.01908	100.0
119.96049	1.0
120.01988	4.2
120.03246	0.4
121.01601	0.7
121.97565	1.2
122.07131	0.4
123.04426	0.4
124.02431	1.1
124.93895	1.1
124.99960	1.5
127.03909	0.8
128.02260	0.8
128.98589	0.7
131.00189	0.3
131.01875	0.7
133.01608	1.7
133.03435	1.1
134.99652	2.2
135.04988	0.8
136.07559	0.9
137.02946	41.9
137.97081	0.7
138.03062	1.7
138.05435	0.6
138.08167	0.6
139.02531	0.4
139.18895	0.3
141.96550	0.6
142.03484	20.6
142.94948	0.8
142.96541	0.4
143.00140	0.9
143.01892	1.4
143.03619	1.5
144.02086	0.3
144.03311	0.3
144.04768	0.6
145.03479	0.3
146.03482	0.3
146.99654	0.7
150.99031	0.3
151.02681	1.0
151.04854	0.3
153.00691	0.3
154.07227	0.3
156.03288	1.2
156.05089	0.5
156.07660	0.6
157.03532	0.5
158.06615	0.4
160.03183	0.4
160.04539	7.7
160.06441	0.3
160.95990	1.4
160.97505	0.6
161.01242	1.7
161.02953	9.9
161.04462	1.3
162.03113	0.6
165.00702	0.3
165.05113	0.6
165.96501	1.4
166.04961	0.5
174.04402	0.4
175.02698	0.4
179.02299	1.5
179.03975	10.9
179.05554	0.7
183.97632	1.5
184.04568	3.0
184.05980	0.5
184.07410	1.5
184.09644	0.5
184.11026	0.4
185.02974	0.7
197.03156	0.5
202.03825	0.5
202.05583	1.0
203.03946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01869	15.4
56.96560	18.4
57.03433	46.5
57.52111	0.9
58.03764	1.5
58.99855	3.7
60.02121	1.1
61.02921	32.1
62.03267	0.9
68.02624	1.2
68.98285	1.0
68.99813	0.8
69.03424	44.8
69.25083	1.8
69.25491	6.5
70.99852	3.2
71.01342	3.5
71.04979	3.4
72.08144	1.2
72.40911	0.8
73.02912	75.6
74.03272	1.9
75.01901	1.3
77.00893	5.4
80.02937	1.8
81.01891	3.1
81.03411	17.2
82.02675	2.0
82.99839	2.9
83.01330	1.9
84.04486	2.3
84.08131	0.9
84.96028	1.6
85.01434	1.3
85.02898	57.2
86.03237	2.1
86.05482	0.9
86.09684	2.6
86.99306	2.5
87.01888	5.3
87.04449	2.7
87.51984	1.5
88.02668	9.5
88.52779	1.0
89.00858	2.3
89.02386	1.3
90.02401	1.6
91.03957	1.6
91.05475	1.4
92.05798	1.3
92.97073	0.9
93.01898	8.4
93.51991	0.8
94.02676	7.7
94.52692	1.0
94.99810	1.8
95.04955	2.5
96.01524	1.0
96.02424	6.8
97.02882	53.4
98.03216	1.8
98.20820	2.0
98.97579	15.1
98.98257	1.1
98.98485	1.0
99.01893	2.4
99.04443	8.2
100.02654	10.9
100.52780	1.4
100.97205	0.8
101.00877	41.2
101.01572	2.0
101.02358	2.6
101.03431	2.1
102.00974	3.8
102.02406	20.0
102.52502	1.6
103.00642	1.9
103.02399	3.1
103.03192	3.9
103.03928	2.8
104.10727	6.7
105.00342	2.5
105.02853	1.7
105.03474	1.5
106.02681	4.5
107.03442	3.7
108.02413	6.6
108.52452	1.4
109.02847	10.0
109.53270	1.2
110.01285	2.7
110.02105	1.4
110.97557	3.6
111.02921	21.8
111.52982	2.4
113.00856	15.5
113.01632	1.1
113.53223	1.6
114.00960	2.2
114.02393	5.8
114.03197	1.0
114.52455	1.4
115.00623	1.1
115.02415	7.8
115.03172	5.6
115.03938	3.3
116.01276	1.1
116.98602	8.8
117.02915	7.8
117.53038	1.3
118.01105	0.9
118.03627	2.4
118.53805	1.1
119.01907	100.0
120.01964	7.1
120.03440	3.3
120.05272	1.2
121.01615	1.9
121.03238	1.9
122.02185	1.0
122.53687	1.2
123.02912	12.8
123.04410	2.5
123.53021	3.1
124.03744	2.0
124.04704	2.1
125.00040	1.2
125.00833	1.0
125.02658	1.2
126.02493	1.3
126.03440	1.7
127.02458	4.5
127.03935	14.3
128.02299	7.8
128.52393	0.9
128.98587	6.2
129.02893	7.2
129.03949	3.4
129.52997	1.1
130.03674	4.6
131.01892	68.5
132.01959	8.1
132.03432	13.0
132.53571	2.4
133.01675	2.9
133.03465	9.2
134.03549	1.0
134.99657	3.4
135.02902	5.0
136.03709	1.6
136.07591	1.1
137.02943	17.4
137.07901	4.3
138.03421	17.4
138.53529	3.3
139.02440	2.3
139.04234	1.5
141.03900	2.2
142.03488	8.2
143.00166	1.6
143.01883	57.6
144.01933	6.9
144.03439	4.9
144.53511	1.8
145.01675	1.6
145.03441	30.7
145.04771	1.5
145.05016	1.5
146.03569	3.9
146.99635	4.5
147.01395	5.7
147.03932	3.5
147.05011	1.7
148.04817	1.2
149.02925	11.3
149.54248	0.9
150.03096	0.9
153.03917	4.6
153.54077	1.9
154.03560	1.4
155.01874	41.5
155.54199	1.5
156.02002	6.1
157.01620	1.7
157.03448	23.4
158.03537	4.4
158.99632	0.9
159.01410	1.4
160.04530	5.0
161.02943	72.7
162.03116	7.7
162.04379	1.2
163.02698	2.6
163.04544	4.9
165.00624	1.2
167.01884	11.1
168.02151	2.1
169.01743	1.3
169.03464	5.6
169.04773	0.7
171.01439	1.6
171.05017	2.3
173.02954	83.3
174.03131	11.5
175.02760	3.7
175.04514	5.9
177.00740	1.6
177.02467	1.2
179.02036	2.5
179.04010	2.3
181.03453	1.9
183.04903	1.7
183.06358	1.4
184.04561	3.3
184.06183	1.9
185.02945	47.4
186.03091	8.4
187.02921	1.7
187.04541	6.2
189.00737	1.7
189.02388	1.9
191.04016	6.2
196.04601	3.4
197.02937	7.4
197.04611	1.0
199.04633	2.1
201.00740	2.2
201.04202	1.0
203.04002	27.3
204.04135	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	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03936	0.8
55.01864	0.7
55.05507	0.9
56.96558	4.9
57.03417	1.0
61.89978	0.4
65.03925	1.0
67.05475	0.5
68.04999	0.5
69.03409	0.9
70.06567	0.5
70.33617	1.3
73.02888	1.0
74.02431	1.0
78.95267	0.5
80.05010	0.8
81.03423	0.6
81.07059	0.7
83.06094	0.4
84.08126	0.5
84.96015	0.4
85.02884	1.0
90.04259	0.6
91.05472	32.1
92.05756	0.7
93.03386	0.4
94.06552	0.6
94.42085	0.4
95.04956	5.6
95.06055	0.6
97.02872	0.7
98.06032	0.4
98.97562	3.4
99.97856	0.4
103.05457	1.1
105.03367	1.0
107.04934	1.2
108.04462	0.5
108.05235	0.6
108.08113	0.9
109.02892	0.4
109.06506	1.6
109.07639	0.6
109.10107	0.5
110.97562	0.8
111.04408	0.4
116.98609	3.1
117.98927	0.7
118.03693	0.6
118.06525	2.6
119.01854	1.0
119.04927	35.5
119.97869	0.6
120.05270	0.8
121.06537	0.7
122.06018	0.4
122.06950	0.5
123.04419	13.7
128.98628	0.6
133.01489	0.4
134.99672	1.7
135.99936	0.7
136.04816	1.9
136.07561	100.0
137.05984	1.0
137.07903	1.6
139.79752	0.4
140.04651	0.4
140.08099	0.4
141.01819	0.4
142.03500	0.6
146.99632	0.5
147.04387	6.8
150.05505	1.2
154.08582	0.4
158.99655	1.0
163.96872	0.4
164.04259	3.1
164.07089	1.4
165.04163	0.8
165.05447	7.7
165.06723	0.6
166.98564	0.5
177.00694	1.0
181.97900	0.9
182.00974	0.7
182.05301	1.3
182.08046	4.5
182.09293	0.4
183.02837	0.6
183.06528	0.4
201.00743	0.7
202.33223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03933	0.8
55.01846	0.7
55.05508	7.7
56.05011	0.7
56.96547	0.9
57.03418	1.1
57.07058	2.6
58.02955	34.8
66.49702	0.5
67.05499	25.4
69.03421	0.7
69.07061	67.6
70.03532	2.4
70.06589	2.8
70.07384	0.9
71.04978	0.7
71.08620	0.8
72.08146	0.5
74.06076	1.3
76.81398	0.5
79.05489	6.9
80.33955	0.6
81.07048	23.5
81.07532	1.1
83.04962	2.4
83.08615	6.9
84.04488	0.5
84.08138	8.9
86.06034	1.7
91.05471	5.2
93.07034	12.0
95.04955	3.1
95.08592	8.0
97.06520	4.2
98.06026	3.4
98.09682	2.2
98.20809	0.6
98.97567	1.6
98.98422	1.0
100.07603	7.1
105.03372	1.5
105.07022	17.2
107.08579	20.6
107.09300	1.2
108.08070	0.9
108.08891	0.5
109.06480	3.6
109.10143	52.8
110.10462	1.1
111.08075	0.8
112.07585	2.1
114.09153	15.4
116.98598	1.8
117.98899	0.5
119.08540	2.2
121.10134	3.4
123.04399	1.5
123.08009	1.1
123.11687	8.8
126.09138	12.7
126.12768	2.2
126.28604	0.6
131.08574	0.7
133.10120	29.4
134.10493	0.8
135.11679	19.2
136.07532	0.7
138.12769	24.3
139.13083	0.9
140.08109	0.8
140.10701	1.3
140.14270	0.7
147.11650	4.8
151.11151	11.0
153.12726	12.8
154.15883	2.1
154.17245	0.5
164.07047	1.1
164.14363	2.1
165.05463	0.6
165.12729	2.6
182.08119	1.1
182.15382	100.0
183.06517	0.8
183.15761	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	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
51.02350	0.2
53.03926	0.4
55.01858	0.5
56.96554	3.8
57.03430	1.2
58.99863	0.3
61.02904	0.5
65.03932	0.5
67.05497	0.2
69.03416	0.6
69.42380	0.4
69.42779	1.0
70.98108	0.6
71.01316	0.2
71.04964	0.3
73.02894	0.5
74.06065	0.2
77.00883	0.4
77.03867	0.3
80.67326	0.2
81.03432	0.2
81.85213	0.2
82.01446	0.2
83.00761	0.2
84.96016	0.7
85.02885	0.7
87.04459	0.2
88.99137	0.2
89.00848	0.2
91.05465	34.5
92.05785	0.4
93.07029	0.4
94.06566	0.2
95.04951	15.1
96.05298	0.2
97.02870	0.6
98.97569	2.7
100.02466	0.8
101.00863	0.4
101.77025	0.2
101.91251	0.2
103.05444	1.6
105.04505	0.3
107.04945	1.5
109.06515	1.4
110.97535	0.4
116.98611	1.3
118.03584	0.4
118.06519	1.2
119.01886	1.5
119.04920	38.3
119.97894	0.2
120.05273	0.7
121.06487	1.3
123.04407	52.1
124.04739	0.8
124.99063	0.2
126.07694	0.3
128.02280	0.2
128.98570	0.6
131.00162	0.2
131.01866	1.1
133.03410	0.4
134.99626	0.7
136.07553	100.0
137.04459	0.2
137.05928	0.8
137.07918	1.6
140.98581	0.3
142.03444	0.3
143.00130	0.4
144.99792	1.1
146.99635	0.6
147.04382	18.7
148.04732	0.4
150.00192	0.2
154.03427	0.4
154.07237	1.2
158.99602	1.0
159.01411	0.2
160.04613	0.2
161.01198	0.4
161.02971	0.2
163.02664	0.3
164.05664	2.7
164.07004	0.3
165.05449	30.9
166.05788	0.6
168.01367	0.6
173.02829	0.3
177.00679	1.4
177.02383	0.8
177.04124	0.2
182.06670	1.6
182.08116	2.3
182.99719	0.3
189.00662	0.2
193.00198	0.2
195.01695	0.2
195.03381	0.3
200.04129	0.2
201.00636	0.8
203.03998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	D-Tyrosine
Peak:m/z	Relative Intensity
53.03921	2.2
55.01860	6.2
55.05508	1.0
56.05033	2.0
56.96557	23.4
57.03152	1.5
57.03429	26.3
58.03772	0.9
58.99849	3.0
59.04985	0.9
61.02918	8.7
64.30194	0.8
65.03929	1.1
66.95193	0.7
67.05489	1.7
68.05031	1.1
68.99792	0.9
69.03422	17.4
70.06590	0.7
70.99847	1.5
71.01340	2.5
71.04998	1.7
71.52118	1.4
73.02909	25.3
77.00899	3.9
78.95268	0.8
79.05479	1.4
80.05013	2.2
81.01896	1.4
81.03415	6.9
81.07054	1.2
81.58351	0.9
81.58805	0.7
82.01440	0.9
82.02661	0.7
82.06573	0.9
83.00774	0.9
83.01313	0.8
83.04950	1.3
83.69878	0.7
84.04501	1.2
84.08155	1.0
84.96021	4.7
85.02897	19.9
87.01888	1.4
87.04467	1.8
88.02675	3.4
89.00842	1.7
91.00508	1.5
91.02457	1.7
91.03934	0.9
91.05471	37.4
93.01877	2.9
94.02672	2.7
94.06569	1.2
95.01329	1.3
95.01929	2.1
95.04955	19.7
96.01515	0.9
96.02428	1.8
97.02869	19.6
98.01286	2.4
98.06020	0.8
98.97575	11.9
98.98248	0.9
98.98484	0.7
99.02925	1.0
99.04443	3.5
100.02485	7.4
100.99181	0.9
101.00863	8.8
101.02400	1.3
102.02411	5.9
102.97046	1.0
103.00454	0.8
103.02422	2.2
103.03142	1.1
103.05449	1.9
104.01256	1.3
105.00338	2.5
105.02016	0.8
105.03390	2.5
107.04969	3.5
108.02393	2.8
108.04462	3.8
108.08119	1.1
109.02912	3.3
109.06509	1.4
110.01270	3.6
110.02028	1.0
110.06046	1.2
110.97567	2.2
111.00230	2.2
111.02209	1.1
111.02901	6.7
111.04475	1.0
111.14140	0.7
113.00853	4.5
113.02377	1.6
114.00785	1.8
114.02398	1.1
115.00640	1.0
115.02467	3.4
115.03164	1.5
115.03910	1.3
116.98600	12.2
117.02031	1.5
117.02904	2.0
118.03524	6.6
118.06532	2.0
119.01893	37.6
119.04927	42.8
119.97861	1.5
120.00751	1.0
120.03436	1.2
121.01528	0.9
121.06522	1.6
122.06024	0.9
122.53696	1.1
122.94173	1.2
123.02912	5.6
123.04414	60.8
124.03658	1.1
126.98806	1.0
127.02403	1.3
127.04021	5.8
127.54314	0.8
128.02301	4.2
128.98602	5.2
129.02040	1.0
129.02904	3.2
129.03838	1.2
130.03667	1.3
130.52582	1.2
131.01883	29.1
131.02852	1.5
132.03415	2.6
133.01549	0.9
133.03435	5.4
133.04277	1.1
134.99638	7.5
135.02925	1.4
135.04398	0.8
136.07562	100.0
137.02924	7.3
137.06017	1.4
137.07939	1.8
138.03395	4.0
138.05405	1.0
139.02383	0.8
140.02281	0.9
140.03253	1.0
140.07082	0.9
141.05370	1.0
142.03505	4.2
142.04671	1.6
143.00134	1.3
143.01883	12.9
144.03448	2.0
144.99815	8.5
145.03450	10.9
145.04605	1.0
145.05029	0.9
146.02269	1.2
146.99649	6.4
147.01424	2.1
147.04385	16.9
149.02943	8.7
151.04549	1.4
152.02328	0.8
153.04001	1.0
154.03496	4.4
154.04655	0.8
154.07327	3.5
154.08485	1.4
155.00060	0.7
155.01875	14.0
155.06984	0.8
157.03445	8.2
158.01324	0.9
158.03709	0.8
158.99629	5.7
159.01393	4.5
159.03229	1.3
159.05019	2.4
160.02119	0.9
160.04558	2.8
161.01237	2.8
161.02934	26.0
162.99210	1.4
163.00873	2.3
163.04471	2.6
163.96844	0.8
164.02234	0.8
164.03313	4.0
164.07008	2.2
165.00710	1.8
165.05443	24.7
166.98544	1.2
167.01906	2.8
168.01453	3.8
169.03491	2.0
170.99673	2.3
172.04503	1.7
173.01230	2.8
173.02930	25.3
174.99181	0.9
175.04543	4.5
176.98340	1.2
177.00713	11.5
177.02438	11.8
177.04028	1.3
179.02065	0.9
179.03983	1.4
181.97923	0.9
182.00926	2.3
182.02946	1.8
182.04507	3.2
182.08075	7.5
182.99599	0.9
183.06519	0.9
184.04494	1.4
185.02931	15.0
187.00865	1.2
187.04558	2.1
189.00734	4.0
189.02312	1.1
191.03998	2.1
195.01721	2.1
195.03505	4.4
196.04448	1.1
197.02986	2.5
199.04538	0.9
200.04065	2.1
201.00664	6.3
201.02409	1.1
203.03983	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
54.03459	4.1
55.01861	2.3
55.05505	7.9
56.05022	8.6
56.13307	2.7
56.96581	2.4
57.04541	9.1
57.07063	23.4
58.02950	2.8
58.06589	3.0
59.04998	2.5
59.06107	4.7
60.54435	2.5
67.02937	2.1
67.05481	4.0
67.67601	2.3
68.05018	6.5
69.03384	2.5
69.04530	6.0
69.07043	4.5
70.06573	9.5
71.06103	5.3
71.53505	2.2
72.08128	5.9
79.05482	11.9
80.00127	2.6
81.03401	9.4
81.04540	6.1
81.07025	7.3
82.06569	2.7
83.04501	3.5
83.04974	56.4
83.06082	4.3
83.08594	2.7
84.04498	3.0
85.07677	2.7
86.06042	2.3
87.45434	2.3
91.05444	5.0
93.07034	12.9
94.06561	2.4
95.04953	19.0
95.06062	6.3
95.08595	3.3
96.05573	2.8
96.08104	2.5
97.06514	30.7
97.07634	12.7
98.06036	5.8
98.07097	4.9
98.97562	11.9
99.05570	62.8
103.05476	3.2
105.07012	8.6
107.04903	4.2
107.08587	16.5
109.07671	3.0
110.07155	8.3
111.07957	4.1
111.09189	7.9
112.08708	4.3
114.06673	2.9
114.10260	2.4
116.97218	3.2
116.98602	16.4
121.06514	4.5
121.10128	14.8
122.07111	12.6
123.08035	3.0
123.09190	4.4
124.08727	6.2
125.05982	62.2
128.06310	2.7
134.99658	18.6
135.04497	4.1
135.11684	9.0
136.08633	4.7
138.06615	2.6
138.10240	7.8
139.06126	3.4
139.08699	5.8
139.09770	10.1
140.08134	5.4
140.11781	5.0
145.10129	13.2
151.09795	2.8
153.00732	4.7
158.01216	4.6
160.67479	2.6
163.03847	3.7
163.09909	4.0
163.11160	100.0
164.06967	3.2
164.08180	3.8
164.11734	7.1
181.04964	4.8
181.07155	3.0
181.08492	5.1
181.10776	15.2
181.12239	28.2
181.14497	5.6
181.47899	2.6
182.05754	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03930	5.0
55.01863	6.3
55.05507	12.5
56.96310	1.1
56.96560	16.6
57.03412	2.9
57.07075	6.4
59.04986	1.5
61.77768	1.2
65.03921	4.8
67.01852	2.8
67.05495	14.6
68.99773	1.1
69.03426	5.7
69.07053	9.0
70.68767	4.3
71.01333	1.2
71.04967	3.7
71.95247	2.6
72.60548	1.1
78.04711	1.1
79.05069	1.8
79.05485	21.9
81.03405	2.7
81.06644	1.6
81.07053	14.7
82.06564	1.2
83.01305	1.9
83.04582	1.0
83.04980	11.1
83.08604	2.2
85.02889	2.1
85.06512	1.9
89.03892	2.1
91.05466	19.1
93.03396	1.6
93.07035	45.0
95.04964	16.6
95.08595	26.7
97.02869	4.2
97.06523	18.8
98.97573	71.3
103.05453	5.6
105.07020	11.2
107.04946	11.2
107.07870	2.4
107.08580	29.2
109.06493	5.2
109.10129	4.6
111.04427	20.4
111.08071	8.5
116.98607	90.2
117.03391	1.6
117.06983	5.3
119.04927	1.2
119.08561	4.9
121.02831	2.5
121.06491	19.8
121.10146	17.6
123.04411	3.2
123.05467	2.0
123.08039	4.9
125.05978	57.7
130.07788	2.6
134.99643	100.0
135.04427	10.6
135.05367	2.1
135.08037	13.0
135.10704	2.0
135.11676	28.0
136.00032	1.5
136.05151	2.1
136.07553	3.3
137.05952	2.1
138.06728	7.1
139.03870	5.2
139.07518	3.6
140.00179	6.9
140.08141	2.7
145.02876	2.5
145.03882	1.2
145.10098	19.0
149.06009	7.1
151.07495	2.3
153.00716	21.8
153.05470	7.5
153.09082	1.8
153.12714	6.9
158.01242	14.6
163.03867	18.7
163.07527	3.1
163.11163	36.2
163.14745	1.2
164.07086	2.6
166.06279	2.0
166.07738	1.8
171.06512	1.3
171.20439	1.0
176.02298	3.0
181.02715	2.8
181.03027	2.0
181.04938	50.4
181.06409	2.1
181.08542	11.5
181.12207	80.1
182.00970	1.4
182.12552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03883	3.2
54.03400	0.7
55.01807	4.2
55.05447	3.7
56.96502	4.3
57.03371	2.1
57.07011	21.5
57.07321	1.9
59.04940	3.0
59.06075	1.4
65.03874	5.9
67.05496	4.4
68.04983	1.1
69.03363	2.5
69.04501	0.8
69.07057	4.8
70.06520	0.9
71.04939	1.8
71.05333	0.6
71.52578	1.1
72.04469	0.8
72.08082	0.6
77.03875	1.1
79.05484	13.7
80.04961	0.9
81.03414	7.3
81.04479	0.8
81.07046	7.7
82.04141	1.8
82.06502	0.7
83.01269	1.0
83.04971	52.0
83.06012	2.3
83.32673	0.5
85.02876	2.8
85.06477	1.5
89.03918	4.4
91.05468	11.2
93.03335	1.8
93.07032	16.5
94.06506	0.7
94.07307	0.7
95.04951	21.8
95.05994	1.3
95.08537	2.6
97.02858	1.1
97.06517	30.0
97.07562	2.2
98.07133	0.9
98.97569	20.8
99.05508	0.8
101.82919	0.7
103.05434	4.0
105.04498	1.5
105.07011	7.7
106.04115	0.9
107.04948	7.6
107.07889	0.9
107.08577	14.5
108.02043	1.1
109.06464	2.6
109.07597	1.0
109.10120	1.4
110.03635	3.1
110.05999	1.0
110.07127	0.8
111.04448	4.0
111.08015	1.3
113.02361	0.5
116.98602	21.9
117.03374	4.7
117.06997	2.9
119.08551	5.2
120.05630	0.6
121.02800	1.3
121.06496	11.6
121.10131	22.0
122.07130	3.5
122.10406	0.8
123.04391	0.8
123.05509	1.2
123.08004	2.6
123.09189	0.7
124.08649	0.8
125.05978	68.7
126.06299	1.3
130.07751	2.4
134.99644	27.2
135.04411	12.7
135.06396	0.6
135.08052	4.2
135.11668	9.1
136.07549	1.0
136.08614	1.3
137.05939	1.7
137.09570	1.1
138.03145	1.2
138.06592	0.7
139.03842	1.9
139.07487	1.3
139.09712	1.3
139.11137	0.7
140.00146	1.4
140.08139	2.6
142.02577	1.2
144.71001	0.6
145.02856	5.3
145.10101	13.8
149.05972	3.9
151.07474	1.1
153.00697	5.9
153.05496	2.9
153.08986	0.8
153.12714	0.6
154.09694	0.6
158.01230	2.6
163.03894	24.5
163.07489	1.9
163.11160	100.0
164.04260	0.9
164.08177	1.1
164.11528	2.5
171.06541	2.1
176.02391	0.6
181.04950	24.9
181.06461	1.1
181.08621	5.4
181.10809	2.2
181.12202	33.6
181.15797	1.0
182.00885	0.8
182.05440	0.7
182.08081	0.8
182.12584	0.9
186.05550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03932	1.5
53.35202	0.7
55.01858	1.1
55.05507	4.8
57.07058	2.6
59.04964	0.7
65.30795	0.7
67.05495	7.6
68.23815	0.7
69.03410	1.2
69.07065	4.8
69.79569	2.6
69.79974	1.4
71.01341	1.2
71.01746	0.7
71.04966	1.7
74.07155	0.7
79.05483	5.3
81.07044	7.2
83.04964	3.3
85.06551	0.8
91.05456	7.6
93.07034	24.9
95.04954	3.4
95.08595	14.6
96.23569	0.8
97.06518	14.8
98.97573	9.6
105.07047	4.8
107.04957	1.6
107.08582	20.2
109.06514	2.8
109.10130	2.1
110.07232	0.9
111.04417	2.6
111.08068	7.0
116.97817	1.1
116.98605	8.7
117.07014	1.0
119.08566	2.9
121.06490	3.5
121.10101	2.2
123.04372	1.0
123.08032	1.3
125.05975	61.7
125.09573	1.4
126.06366	0.9
130.07767	2.0
134.99640	2.9
135.04411	1.2
135.08046	5.1
135.11679	19.8
138.06741	8.3
139.07530	2.3
139.11148	0.8
140.00191	1.1
144.73604	0.9
145.10103	9.7
151.07494	1.0
153.12694	5.6
163.03882	2.4
163.11159	13.6
181.12212	100.0
182.12590	3.6
196.23657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03955	1.2
55.01870	1.8
55.05515	2.3
56.27428	0.7
56.96565	1.6
57.03424	0.8
57.07071	26.2
57.07342	1.6
57.99300	0.7
59.05001	2.5
65.03941	1.0
67.05518	2.7
68.89029	0.7
69.03434	2.4
69.07075	2.9
70.56490	1.4
70.56821	1.3
71.04996	0.7
76.44933	0.7
79.05476	9.7
81.03402	6.5
81.07052	5.4
83.04970	49.5
91.05460	4.1
93.07032	11.0
95.04962	17.0
95.08613	2.0
97.06517	27.0
98.97558	5.6
103.05463	0.9
105.07001	5.8
107.04951	2.6
107.08585	11.2
109.06506	1.1
111.04432	1.5
116.98605	8.3
117.07019	2.8
119.08578	4.7
121.06500	3.8
121.10134	13.8
125.05978	67.4
126.06281	0.8
129.06979	0.9
130.07790	2.3
134.99644	8.7
135.04413	1.9
135.08044	1.0
135.11668	6.0
143.08508	1.0
145.10110	11.6
153.00681	1.7
158.01265	2.2
163.03876	1.5
163.11159	100.0
164.11505	3.0
166.07738	1.5
181.05013	3.4
181.06282	0.9
181.08662	1.4
181.10196	2.3
181.12209	33.5
182.05751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01849	2.6
55.05506	4.5
55.64018	0.7
56.96534	1.0
57.03428	1.2
57.06799	1.5
57.07070	24.1
59.04974	3.0
67.05482	2.4
68.18692	0.7
69.03405	1.9
69.07070	4.4
69.72330	1.2
69.72742	3.0
77.87221	0.8
78.44174	0.8
79.05489	9.6
81.03402	5.8
81.07050	5.5
83.04969	47.3
83.08634	0.9
85.06494	1.0
91.05450	3.5
93.07024	10.3
95.04954	16.6
95.08585	2.4
97.06519	27.0
98.97560	4.5
105.07007	4.9
107.04934	3.2
107.08577	14.0
109.06519	1.4
109.10147	1.0
111.08063	0.9
116.98603	3.8
117.07002	2.3
119.08559	2.2
121.06499	3.8
121.10127	13.9
123.08020	1.2
125.05979	63.5
130.07745	3.4
134.99640	6.9
135.04373	2.6
135.08020	1.3
135.11687	6.9
136.07433	0.8
140.00186	1.1
145.10095	11.7
148.78633	0.9
153.00697	1.8
158.01254	1.5
163.03885	3.8
163.11159	100.0
164.11519	2.8
165.06944	1.1
166.07779	1.2
181.02983	0.6
181.03493	0.6
181.04938	4.0
181.06302	1.6
181.08582	1.8
181.10135	1.6
181.12201	34.9
181.15604	1.9
182.05739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.53455	1.1
53.03925	2.1
53.12291	0.9
55.01857	2.1
55.05506	34.9
56.96560	4.7
57.03416	2.0
57.06842	1.1
57.07066	16.1
57.29428	1.1
59.04983	1.2
64.67263	1.0
65.03926	2.3
67.05502	14.2
69.03407	3.7
69.07074	4.8
70.30849	3.2
71.04954	2.6
79.05478	11.7
81.06668	1.2
81.07055	14.3
83.01309	1.1
83.04970	22.2
83.08599	2.0
84.41436	0.9
85.06538	6.2
89.03904	1.4
89.16577	1.0
91.05462	12.6
93.07034	29.0
95.04947	7.0
95.08596	19.4
97.05936	1.1
97.06522	16.6
98.97570	27.1
103.05476	1.1
105.04485	1.2
105.07021	8.1
107.04913	3.8
107.08578	37.8
107.09306	2.1
109.06528	6.6
109.10126	3.4
111.04428	100.0
111.08060	9.6
112.04790	1.6
112.81541	0.9
113.06027	5.1
116.98611	23.9
117.03355	1.8
117.07011	3.8
119.08547	5.3
121.06495	7.1
121.07230	1.4
121.10149	8.1
122.07264	1.4
123.04443	1.1
123.08040	3.0
125.05976	53.0
125.09556	1.0
127.07489	4.3
130.07765	4.1
134.99644	18.0
135.04431	5.2
135.08032	22.1
135.10695	2.0
135.11667	23.7
136.11923	1.0
138.06752	2.5
139.03871	1.4
139.07491	3.1
140.00142	1.4
143.08475	1.0
145.02805	2.6
145.10101	19.4
153.00677	1.9
153.05431	1.8
153.12703	4.1
158.01230	3.2
163.03925	11.2
163.11163	27.4
163.12532	1.3
163.14861	1.3
181.04942	6.4
181.08626	1.5
181.09972	1.9
181.12207	39.1
182.12578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03929	2.7
55.01855	1.4
55.05506	40.5
56.96564	4.9
57.03422	1.2
57.06842	1.3
57.07072	14.5
57.24686	0.8
63.34448	0.9
65.03932	1.1
67.05495	12.6
69.03419	2.1
69.07046	5.0
69.47627	2.6
69.48043	3.6
71.01363	0.9
71.04960	1.5
71.28686	0.9
78.00462	0.8
78.68066	0.7
79.05486	8.7
81.07050	13.5
82.66723	0.8
83.04972	14.1
83.08605	1.0
85.06541	4.2
91.05477	14.2
93.07033	31.9
93.07647	1.6
94.02522	0.9
95.04942	7.0
95.08600	21.4
97.06520	13.7
98.97580	15.6
105.07017	12.6
107.04937	2.1
107.08582	40.3
108.08842	0.9
109.06506	8.8
109.10160	4.2
111.04431	100.0
111.08073	9.9
112.04745	1.2
113.05964	4.6
116.98609	12.2
117.06998	4.0
119.06026	1.1
119.08552	3.9
120.09359	0.9
121.06500	8.6
121.10145	4.3
122.07257	2.6
123.08054	2.5
125.05979	58.1
126.06295	1.4
127.07523	3.8
130.07770	4.5
134.99660	5.2
135.08040	24.2
135.11676	31.0
137.09572	1.3
138.06767	4.8
139.07509	3.1
145.10106	23.7
153.00594	1.2
153.12724	7.7
156.59262	0.9
158.01125	1.2
163.11163	21.1
167.27711	0.8
181.04932	2.2
181.12213	54.5
182.12622	1.4
196.32240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.01345	0.3
53.03942	0.9
55.01858	0.7
55.05494	2.2
56.96547	1.1
57.03411	0.5
57.07053	1.6
59.04755	0.3
59.04995	3.8
65.03942	0.4
67.05495	2.6
69.03433	2.0
69.07063	3.8
69.26645	3.7
69.26942	0.3
73.02906	0.4
79.05483	5.8
81.07047	6.9
83.04950	1.1
83.08617	0.7
87.04460	0.6
91.05473	3.6
91.13781	0.4
93.07035	18.7
95.04948	0.9
95.08599	15.8
96.08920	0.4
97.06534	2.5
98.97581	9.0
105.07024	3.4
107.04945	1.6
107.08582	32.5
108.08927	0.7
109.06494	0.8
109.10134	2.8
111.04424	1.6
111.08059	1.4
113.94760	0.4
116.97847	0.4
116.98615	6.4
117.07025	1.2
119.08572	3.7
121.06519	4.7
121.10133	19.9
122.10355	0.4
123.08078	3.5
125.05958	2.7
130.07806	0.8
134.99654	3.7
135.08046	1.0
135.11679	43.2
136.12000	1.1
137.09546	0.7
137.13208	1.6
138.87970	0.3
139.07530	8.7
139.11115	0.4
140.00163	0.7
145.10109	10.7
148.08818	0.4
153.00653	0.6
153.12744	2.0
158.01262	0.6
163.03908	0.4
163.11169	28.0
164.11482	0.8
181.04916	1.1
181.12216	100.0
182.12527	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	181.0493
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03942	3.2
54.04699	0.7
55.01867	2.2
55.05494	1.3
56.96547	1.9
57.03415	1.1
57.07055	0.5
59.04994	0.4
62.17860	0.4
65.03934	30.4
66.04231	0.4
67.01827	0.6
67.05497	11.4
67.14610	0.4
68.05815	0.4
68.99773	1.0
69.03416	4.0
69.07059	1.1
70.07675	0.6
70.08093	1.6
70.31947	0.4
74.01407	0.4
75.04456	1.2
77.03899	1.0
79.05487	2.9
81.03412	2.0
81.07034	1.7
82.00535	0.9
82.03735	0.9
82.04192	12.7
83.04954	1.2
85.02896	16.7
89.03889	1.0
90.43332	0.4
91.05475	5.8
93.03392	4.9
93.07032	5.2
95.04961	7.9
95.08601	0.9
97.02869	1.6
97.06521	8.5
98.03688	0.4
98.48375	0.4
98.97576	10.3
99.04450	0.8
101.02355	0.7
103.05447	3.5
105.04483	0.9
105.07034	0.8
106.04156	2.1
107.04916	1.4
107.08577	1.6
108.02078	7.2
109.06493	0.6
110.03651	13.3
111.03741	0.5
111.04436	7.4
114.03120	0.6
114.08984	0.5
116.98608	8.6
117.03365	1.3
117.38498	0.4
119.08559	0.5
119.73705	0.4
121.02837	0.7
121.03961	0.8
121.05666	0.7
121.06496	9.3
121.10143	2.5
122.07200	0.5
123.00781	4.5
123.04448	0.6
123.05534	0.5
123.08025	1.0
124.05226	0.5
125.05979	8.0
127.00258	0.5
134.03619	0.6
134.99654	7.5
135.04395	2.4
135.08006	1.0
135.11658	0.8
137.02344	1.9
137.05960	0.7
138.03105	6.8
138.10341	0.5
139.03841	1.2
139.07570	0.6
140.08177	0.5
142.02596	8.3
145.02814	1.0
145.10088	0.9
149.05963	5.8
153.00693	1.4
153.05428	2.3
153.09094	1.2
156.04198	0.4
158.01216	1.0
162.60956	0.4
163.03867	4.9
163.07544	0.7
163.11182	2.4
166.02608	1.0
167.07080	0.6
171.06502	15.3
181.04933	100.0
181.12070	2.1
182.05222	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	181.0857
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02365	1.1
53.03940	10.5
55.01866	8.6
55.05495	2.9
56.05006	1.2
56.96558	6.3
57.03425	2.6
57.07054	1.3
59.06130	1.1
65.03930	15.6
67.05497	5.2
69.03416	3.3
69.07058	2.2
71.04980	1.8
71.53154	1.1
71.95241	0.7
75.04462	10.1
77.03920	2.0
78.04695	5.4
79.05479	12.9
81.03402	3.3
81.07053	5.2
82.04188	2.5
83.01308	1.2
83.04970	3.3
83.06085	0.9
83.08607	2.3
84.08098	0.8
85.02892	5.2
85.06534	1.1
85.07638	0.6
89.03913	3.6
89.06003	1.1
91.05470	62.6
92.06730	0.7
93.03384	14.0
93.07031	41.6
94.06551	0.7
95.04954	25.2
95.05966	1.3
95.08596	3.0
97.02882	1.7
97.06508	7.7
97.07619	1.0
98.07178	1.2
98.97569	24.2
99.04440	1.0
99.05569	1.1
102.04661	0.8
103.05450	35.3
105.03379	1.5
105.04510	5.7
105.07027	2.8
106.04169	20.8
106.66674	0.7
107.04962	8.2
107.08571	6.8
108.02058	1.1
108.05735	1.4
108.08089	1.6
109.02886	0.9
109.06518	3.2
109.07635	0.8
110.03639	2.7
110.07296	1.6
111.04420	5.5
111.08063	1.3
116.98603	30.7
117.03369	2.2
119.04927	3.1
119.06043	1.1
119.08568	1.6
120.05696	1.2
121.06487	100.0
121.10124	9.4
122.07141	2.9
123.04414	3.5
123.05473	1.0
123.08068	3.3
124.05201	2.4
125.05983	7.1
125.09547	0.9
131.05061	0.8
131.06049	2.1
134.03606	9.6
134.99640	28.5
135.04395	10.5
135.08028	4.2
135.11714	4.3
136.07564	3.5
136.08614	1.1
137.05968	7.3
138.03130	1.0
138.06766	4.6
139.03896	1.6
139.07535	4.4
140.00197	1.4
140.08168	2.0
145.02809	1.5
145.10098	2.8
148.05151	5.6
149.05963	65.7
151.03886	1.7
151.07515	2.2
152.08281	1.1
153.00710	6.4
153.05440	2.9
153.07074	0.9
153.09084	16.8
158.01221	2.9
163.03871	9.9
163.07507	7.7
163.11139	7.2
164.07034	6.4
165.06949	0.7
166.06299	3.7
166.07564	0.7
167.06998	3.8
171.06491	2.2
181.04942	24.7
181.08565	30.0
181.12132	7.8
182.09343	1.5
185.44510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	5.6
54.97454	0.9
55.01866	5.1
55.05509	5.6
55.26315	0.8
56.05029	2.0
56.96558	9.1
57.03430	3.7
57.07067	13.6
58.06592	1.3
59.04993	3.0
59.06115	5.3
59.75546	0.9
65.03942	9.9
67.03001	1.4
67.05499	8.2
68.05011	3.9
68.83098	0.9
68.99779	2.3
69.03429	7.6
69.07067	5.5
70.06599	2.1
71.01346	0.9
71.04979	1.9
71.06144	1.2
71.09938	2.2
71.95243	2.9
77.03919	1.4
79.05486	21.0
80.05014	1.8
81.03417	8.1
81.04539	3.0
81.07047	10.3
82.04176	4.0
83.04971	36.9
83.06071	4.9
84.04505	1.2
84.05301	1.3
84.08145	1.7
85.02895	7.1
85.06534	1.1
89.03920	4.7
91.05472	26.2
93.03400	4.1
93.07032	26.8
94.06638	1.0
95.04963	36.9
95.06069	3.0
95.08590	4.1
96.06889	1.3
97.02878	3.3
97.06523	27.3
97.07648	3.8
98.97572	32.8
99.05560	2.7
103.05461	12.8
105.04492	2.4
105.07013	8.9
106.04186	1.5
107.04945	13.8
107.06085	1.0
107.08582	19.6
108.02106	2.7
109.02808	1.2
109.06516	4.5
109.07630	2.3
109.10155	1.9
110.03648	3.4
110.07169	2.0
111.04443	8.0
111.08038	3.5
112.03945	1.2
115.05422	1.1
116.98615	41.1
116.99471	2.2
117.03367	3.9
117.07001	4.3
119.04935	3.4
119.08557	7.1
120.05673	1.2
121.02847	2.5
121.06504	27.9
121.10132	29.3
122.07172	5.3
123.00781	1.6
123.04420	6.7
123.05513	3.7
123.08056	4.7
123.09103	1.4
124.08729	1.5
125.05986	58.5
129.06955	1.0
130.07770	2.1
134.99644	48.3
135.04404	27.1
135.08037	6.3
135.11684	12.0
136.05145	1.7
136.07565	4.1
136.08658	2.1
137.05978	6.6
137.06926	1.5
138.03134	2.2
138.06688	2.0
138.10176	1.3
139.03908	7.3
139.07555	2.8
139.09729	2.1
139.11255	1.3
139.64365	1.0
140.00185	2.2
140.08197	5.3
142.02628	1.6
145.02831	6.4
145.10100	13.5
149.02322	2.0
149.05980	12.3
151.03894	4.3
151.07523	3.5
153.00674	10.8
153.01775	1.5
153.05449	17.3
153.06609	1.6
153.09132	1.8
154.09741	1.4
158.01199	5.2
163.03894	44.9
163.05254	2.2
163.07530	3.1
163.11165	100.0
164.04225	1.3
164.06979	1.7
164.08240	4.0
164.11568	2.8
166.02652	1.7
166.06175	2.1
171.06531	3.7
176.02249	1.4
181.01344	1.5
181.04961	55.8
181.06601	3.1
181.08556	12.9
181.10735	4.2
181.12187	32.6
182.00908	1.0
182.04352	1.3
182.08112	2.6
201.45457	0.8
201.61472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.34792	0.3
53.00305	0.3
53.03939	1.1
54.37624	0.3
55.01863	1.1
55.05505	0.7
56.05024	0.7
56.96557	2.0
57.03423	0.6
59.06132	0.4
63.02371	0.6
65.03931	6.2
66.30054	0.3
67.01870	0.4
67.02996	0.3
67.05491	2.2
68.05023	0.9
68.99767	0.4
69.03415	1.6
69.07062	0.4
70.06588	0.8
70.36521	1.0
71.04985	0.4
72.04485	0.4
74.98430	0.3
77.03930	0.4
78.95260	0.3
79.05484	6.3
80.05007	0.4
81.03411	0.8
81.04546	0.9
81.07058	0.7
82.04192	2.4
82.05283	0.4
82.06607	0.4
83.04942	0.6
83.06086	1.8
83.08622	0.3
84.04473	0.3
85.02893	3.4
85.07645	0.4
89.03905	18.2
90.04258	0.4
91.05469	3.5
91.96670	0.3
93.03395	1.5
93.07023	2.2
94.06583	0.4
95.04964	3.0
95.06074	1.0
97.02880	0.9
97.06506	1.7
97.07647	0.8
98.07172	0.3
98.97574	7.5
99.04488	0.4
99.05580	0.4
101.07159	0.4
103.05446	0.9
105.04483	0.8
105.07017	0.4
107.04945	10.0
107.08584	1.3
108.02101	1.3
109.06509	0.6
109.07613	0.9
109.10123	0.4
110.03652	2.6
110.07078	0.4
111.04441	3.2
111.05574	0.5
111.07990	0.4
114.06616	0.5
116.98608	7.9
117.03366	19.3
118.03703	0.4
119.04917	1.4
121.02911	0.8
121.06502	2.0
121.10127	0.7
122.07117	1.4
123.00751	0.9
123.04401	1.0
123.05576	0.4
123.08054	0.4
124.08712	0.7
125.05983	2.6
125.06944	0.5
134.99644	7.1
135.04398	46.8
135.08031	1.6
135.11668	0.4
136.04790	1.0
136.07648	0.6
136.08678	1.0
137.02332	0.4
137.05965	1.6
137.06969	0.6
137.09663	0.4
138.03108	0.9
138.06685	0.5
138.23567	0.3
139.03918	1.6
139.04860	0.3
139.07558	0.5
139.09746	0.4
140.08138	0.8
141.89940	0.3
142.02612	1.1
145.02831	21.6
146.03183	0.6
149.02347	0.4
149.05968	0.9
151.07538	0.5
153.00708	1.2
153.05440	2.4
153.09018	0.3
154.09814	0.6
158.01245	0.8
163.03882	100.0
163.11142	0.9
164.04254	3.0
164.08182	0.8
171.06470	3.2
181.01376	0.9
181.04941	19.9
181.06348	0.7
181.08559	1.4
181.10887	2.2
181.12244	1.1
181.96524	0.3
182.05370	0.4
182.08052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.00297	0.9
53.03946	5.8
55.01866	9.9
55.05507	28.0
56.96550	1.7
57.03424	3.7
57.07059	2.6
58.11368	0.8
59.04972	1.0
65.03919	3.3
67.05499	100.0
68.05823	1.3
68.18029	0.7
69.03435	3.8
69.07060	16.2
69.21991	7.8
69.99125	0.8
71.04984	2.6
73.06558	0.8
75.31534	0.7
77.03925	1.1
79.05485	65.2
80.05006	1.0
81.03409	18.9
81.07047	94.9
82.07357	1.5
83.04971	33.9
83.05467	1.9
83.08606	13.6
83.43859	0.7
85.06528	3.0
89.03895	1.2
91.05472	55.6
92.05775	1.8
93.07037	38.1
95.04962	15.9
95.08597	76.1
95.69394	0.8
96.08923	1.0
97.06521	30.6
97.10152	3.6
98.98418	0.9
99.08080	3.0
103.05456	1.7
105.03349	1.0
105.04498	1.0
105.07018	30.4
106.06540	1.1
107.04927	1.1
107.08585	11.9
108.04433	2.7
109.06501	9.7
109.10146	16.7
111.08073	7.2
113.09627	6.0
113.86472	0.8
117.06987	1.9
119.04935	6.3
119.08570	33.6
121.06470	1.0
121.10126	7.6
123.04420	7.1
123.08037	6.8
123.11670	1.6
131.08533	1.7
133.02823	4.7
133.06451	3.2
133.07372	0.8
133.10123	22.0
134.05957	1.0
135.04414	1.2
135.07996	0.7
135.11687	9.6
136.02161	1.2
136.05176	1.2
136.07578	1.1
137.05978	1.6
137.09573	4.8
147.04396	11.9
151.03908	2.5
151.07561	4.1
151.11180	1.2
159.11662	1.6
161.05942	5.4
161.09612	2.6
161.13234	15.7
162.09052	0.8
179.03355	18.8
179.06842	6.1
179.08522	1.8
179.10675	5.8
179.14284	49.5
180.06427	1.5
180.14577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03937	0.6
55.01869	0.6
55.05505	0.5
55.44392	0.2
56.05024	0.6
56.96566	2.7
57.03407	0.3
59.06112	0.3
59.09907	0.3
63.02370	0.6
65.03932	3.8
66.52107	0.3
67.05502	1.5
68.05007	0.9
69.03424	0.4
70.06567	0.4
70.77200	0.4
70.77540	0.6
77.03945	0.5
79.05483	4.4
80.04993	0.3
81.03414	0.5
81.04529	0.5
81.07037	0.7
82.04189	1.7
83.04983	0.5
83.06099	0.7
84.04501	0.5
84.08128	0.6
85.02894	1.9
89.03905	19.1
91.05478	2.2
93.03397	1.2
93.07030	1.1
95.04961	1.6
95.06075	0.5
97.02905	0.5
97.06506	1.6
97.07599	0.4
98.97568	10.3
98.98213	0.6
99.05540	0.4
105.04513	0.4
107.04943	7.4
107.08586	0.8
108.02081	0.9
108.05666	0.4
108.21005	0.3
109.07607	0.5
110.03651	1.7
110.07156	0.3
111.04428	2.8
111.08034	0.4
116.98605	10.2
117.03362	19.1
118.03711	0.5
119.04947	1.6
121.02880	0.6
121.06490	1.1
121.10102	0.7
122.07104	0.4
123.00778	0.5
123.04408	0.6
124.08644	0.4
125.05974	1.9
125.06864	0.3
128.02313	0.6
134.99654	6.9
135.04396	42.5
135.08037	0.7
135.11687	0.4
136.04767	1.1
136.07549	2.6
137.06017	1.5
138.03090	0.9
139.03862	1.6
139.07553	0.3
140.00169	0.3
140.08192	0.6
142.02629	0.9
145.02824	23.0
146.03160	0.4
147.04344	0.3
148.17690	0.3
149.02336	0.4
149.05937	0.5
151.07507	0.4
153.00694	1.2
153.05450	0.9
158.01233	0.7
158.05959	0.3
158.99599	0.3
163.03879	100.0
164.04237	2.9
171.06483	1.6
175.28476	0.3
177.00656	0.5
181.04939	11.6
181.08492	1.0
181.10785	1.0
181.12251	0.8
186.09480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0488
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.01858	1.1
55.05503	2.1
56.96303	0.4
56.96560	7.1
57.03423	0.6
57.07057	1.4
58.02950	0.7
58.50635	0.4
59.04981	0.4
59.24593	0.4
59.39098	0.3
65.03920	1.7
67.05497	3.4
69.03407	0.9
69.07060	3.0
69.87859	1.8
71.01349	0.3
71.04974	0.7
71.95241	1.3
77.03919	0.3
79.05489	7.5
81.03396	0.8
81.07045	3.5
83.04973	2.9
83.08613	0.9
85.02890	0.4
85.62057	0.3
86.09752	0.4
89.03912	17.2
90.04266	0.4
91.05470	4.1
92.17866	0.3
93.03397	1.1
93.07042	5.6
95.04946	2.5
95.08595	1.7
97.06532	2.2
98.97577	29.7
99.56763	0.3
105.04488	0.5
105.07011	1.4
107.04951	7.6
107.08589	4.0
109.06494	0.7
109.10145	1.9
111.04434	6.8
111.08046	1.0
114.09123	0.6
116.97239	1.0
116.98611	35.5
117.03367	19.0
117.03997	0.3
119.04929	0.5
119.08591	0.9
121.02851	0.6
121.06493	1.5
121.10146	2.4
125.05975	3.3
126.09129	0.6
130.47424	0.3
133.10132	0.9
134.99649	38.1
135.04408	43.1
135.08023	1.3
135.11679	3.8
135.99977	0.4
136.04747	0.6
138.12766	0.5
139.03894	5.8
139.07529	0.4
140.00185	3.3
145.02835	22.4
145.03844	0.9
145.10106	1.6
151.07567	0.7
153.00711	8.7
153.05452	1.1
153.06985	0.7
153.12730	0.9
158.01239	7.0
158.06010	0.6
161.44218	0.4
163.03889	100.0
163.11148	3.9
164.04222	2.7
164.07100	0.4
176.02271	0.7
181.02742	0.9
181.04935	4.2
181.06450	1.1
181.08551	1.7
181.10013	0.6
181.10657	0.5
181.12216	4.8
181.15871	0.4
182.15373	3.5
186.05524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.01867	3.7
55.05489	2.9
56.96561	3.4
57.03418	0.8
59.04991	3.5
65.03918	1.2
66.52889	0.6
67.05499	6.2
68.05008	0.7
69.03418	1.5
69.07035	1.8
70.56389	1.3
70.56790	1.4
71.04985	0.7
77.03894	0.8
79.05487	6.0
81.03453	0.7
81.07051	10.8
83.04963	1.0
84.04482	0.6
87.89317	0.8
91.05474	25.2
92.05791	0.8
93.07037	23.2
95.04958	8.6
95.08589	4.3
96.51922	0.6
97.06496	1.1
97.99177	1.5
103.05435	0.9
105.03379	0.9
105.04493	0.8
105.07020	41.1
106.07307	0.8
107.04955	1.3
107.08580	41.7
108.04467	1.8
108.08938	0.6
109.06506	5.9
109.10130	5.0
112.07526	0.7
115.05410	1.6
116.00237	0.8
117.06979	1.5
118.07761	1.3
119.04931	7.5
119.05874	0.9
119.08569	10.7
120.05613	0.8
120.08112	0.8
121.06492	5.7
121.10121	1.7
121.48366	0.7
123.04417	6.8
123.08042	2.3
123.11703	4.7
128.06184	0.9
131.08554	3.2
133.02814	1.8
133.06473	2.6
133.10117	81.5
134.06058	0.9
134.10445	2.7
135.08055	1.6
135.11668	3.6
136.05186	0.8
137.05971	4.7
137.08218	1.9
137.09578	3.9
138.06676	1.3
143.08505	2.3
146.07225	3.2
147.03409	0.8
147.04407	4.9
151.03900	1.6
151.07513	2.7
151.11211	3.7
152.07010	1.1
161.05978	3.1
161.09599	28.9
161.13213	1.8
162.05490	0.9
162.10139	0.8
179.03380	15.9
179.06978	4.8
179.10649	100.0
179.14174	2.5
180.08109	0.8
180.10979	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.71594	0.9
53.03928	3.5
55.01863	8.0
55.05502	17.9
56.96556	1.8
57.03431	5.6
57.07066	5.1
59.04982	2.0
65.03920	4.4
67.05495	88.8
69.03423	7.7
69.07062	12.7
69.31764	1.0
70.05310	5.2
71.04989	7.0
71.66846	1.1
74.59798	0.9
79.05070	1.6
79.05486	22.6
80.05002	1.6
81.03393	4.5
81.07046	66.3
82.07366	1.4
83.04946	6.0
83.08602	3.3
85.06503	1.5
91.05472	24.3
93.07030	30.4
94.06561	1.6
95.04368	0.7
95.04953	24.0
95.08594	100.0
96.08916	2.1
97.06533	3.4
98.20835	1.5
103.05429	1.5
105.03350	1.2
105.07017	25.3
106.06590	1.3
106.07381	1.1
106.10041	1.0
107.04932	2.5
107.08582	13.4
108.04450	3.2
108.08084	2.1
109.06508	12.8
109.10144	51.8
110.10484	2.0
111.08082	1.6
117.06994	2.2
118.04147	1.4
118.06514	2.7
119.04917	11.1
119.08568	24.6
121.06464	1.5
121.10122	5.3
123.04401	9.7
123.08067	19.0
123.11678	3.1
131.08585	1.1
133.02795	4.8
133.06415	5.5
133.10109	13.1
134.05992	2.5
135.04395	1.7
135.11696	8.0
136.05212	1.7
136.07568	2.5
137.05951	2.5
137.09601	21.0
137.13254	2.3
138.06683	1.2
146.03624	0.9
147.04388	13.1
151.03853	2.7
151.07518	5.4
151.11145	1.9
151.14778	9.7
152.06960	2.2
161.05986	6.9
161.07065	1.1
161.09618	3.5
161.13239	11.4
163.07544	1.8
179.03374	22.6
179.06831	8.5
179.10701	8.4
179.14282	54.5
180.06546	1.3
180.14639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03937	0.5
55.01873	2.9
56.05010	0.9
56.96560	2.7
59.06118	0.6
59.93095	0.9
67.05481	1.5
68.05010	1.2
68.99753	0.6
69.03404	1.2
69.04536	0.9
69.36275	0.6
70.06575	0.7
70.28799	0.7
70.29202	1.3
72.04506	0.6
79.05494	2.4
80.05000	1.7
81.03411	1.1
81.04528	1.9
81.07035	1.3
81.87585	0.5
82.05320	0.5
82.06599	0.6
83.06084	2.0
85.02888	0.8
88.02193	1.6
89.03890	1.6
90.04228	2.1
91.05481	5.7
92.04998	0.7
93.07032	0.9
94.06552	1.4
95.04971	2.7
95.05507	0.7
95.06039	2.8
95.08594	0.9
96.04460	0.5
96.05599	0.6
97.02885	0.7
97.06431	0.6
97.07665	0.6
98.07154	1.0
98.98460	0.9
103.05444	0.6
104.04981	2.3
105.03364	1.5
105.07018	5.1
106.06533	1.0
107.04948	1.5
107.08574	1.2
108.04477	1.2
108.05592	0.7
108.08124	0.7
109.02866	0.6
109.06518	1.0
109.07630	0.8
110.07133	2.2
111.04384	0.7
112.07570	0.7
115.05425	1.2
116.99617	0.4
117.03365	1.5
117.07003	2.2
118.03674	3.7
118.06535	9.2
118.96745	4.0
119.04939	3.6
119.07321	10.5
119.08588	1.0
120.05585	0.8
120.08066	1.8
121.06433	1.9
122.05992	2.0
122.06924	1.3
123.04423	3.8
123.05290	0.7
132.04402	4.4
132.05246	0.9
132.08054	2.1
133.02803	2.8
133.06471	2.7
133.10127	1.7
133.99042	1.2
134.07054	1.4
134.09641	59.1
135.04384	1.1
135.08092	0.7
135.09050	0.5
135.09981	1.7
136.03867	0.6
136.05074	1.1
136.07532	1.9
136.08591	0.7
137.05959	1.3
137.08156	4.6
138.06668	0.7
138.09006	0.7
139.07408	0.6
146.03133	5.4
146.07205	0.8
147.04391	5.7
147.07605	2.8
149.04683	0.5
149.05978	0.9
150.02771	0.7
150.05403	5.8
150.06517	0.9
150.09158	1.2
150.95680	0.5
151.03905	2.4
151.07547	2.6
151.09781	0.7
152.08192	1.1
154.94154	1.0
154.96461	1.7
160.03903	5.0
160.07513	1.1
160.11185	0.9
161.02402	0.8
161.05975	3.1
161.08165	1.2
161.09550	1.3
162.09094	3.0
163.06111	0.6
163.09959	0.7
164.08249	0.6
172.95226	1.4
174.00720	1.3
177.98135	0.8
178.04901	18.6
178.08652	3.7
178.12248	100.0
179.03381	11.0
179.04993	1.0
179.06969	3.4
179.09239	1.5
179.10652	1.6
179.12624	2.7
190.96265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	9.4
55.01861	3.6
55.05509	29.6
57.03428	9.1
57.07067	3.9
57.80718	1.5
63.02362	1.9
65.03907	3.8
67.05502	19.2
69.03422	9.1
69.07063	35.3
70.64854	2.2
70.65211	4.9
71.04987	9.2
71.85509	1.5
79.05486	68.9
80.05815	2.3
81.06593	2.9
81.07050	48.1
83.04978	4.8
83.08612	9.4
85.06513	2.0
87.07388	1.5
89.03918	23.6
91.05473	55.6
93.07034	100.0
94.07339	2.2
95.04964	15.3
95.08613	16.4
97.06522	3.4
98.64054	1.7
98.98421	2.7
103.05474	1.9
105.04508	2.6
105.07021	39.9
106.04139	2.3
107.04961	13.5
107.08582	65.9
108.08974	2.6
109.06507	18.6
115.05430	7.3
117.03372	38.1
117.07010	37.4
119.08575	25.4
121.06500	27.5
121.10131	20.9
122.07325	2.2
123.08054	2.3
129.06999	11.1
130.07784	6.8
131.04871	1.4
131.08565	42.5
132.08983	2.3
133.06506	3.2
133.10115	12.4
134.03613	4.9
135.04395	4.9
135.08046	16.4
135.11671	10.9
144.09341	12.4
145.02832	44.2
146.07234	4.4
147.08006	2.1
147.11673	2.8
147.32162	1.7
148.08774	3.1
149.05963	15.7
149.09604	4.7
149.13235	15.7
157.10164	2.3
159.11673	33.7
163.03836	2.0
177.05464	14.7
177.09087	4.9
177.12733	58.3
178.13176	2.0
186.05470	1.8
198.80208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02362	1.0
53.03946	4.3
55.01861	1.5
55.05503	15.4
57.07065	2.3
65.03928	2.6
67.05498	47.9
68.05843	0.9
69.03416	2.3
69.07058	13.8
71.04990	1.1
71.08632	1.6
71.53353	1.4
75.03828	0.8
77.03941	0.9
78.04713	1.8
79.05485	68.9
80.05822	1.1
81.03391	1.2
81.07046	41.2
82.07388	0.9
83.04973	0.9
83.08620	9.6
86.35444	0.8
89.03911	14.5
91.04900	1.3
91.05472	27.6
93.07032	90.5
94.07368	1.5
95.04959	7.8
95.08595	54.4
96.08942	1.4
97.06544	2.3
97.10155	2.9
98.98457	15.2
103.05461	2.4
105.07019	12.4
106.04169	1.8
107.04937	3.2
107.08582	51.7
108.08938	0.8
109.06525	4.2
109.10144	18.5
111.08079	1.4
115.05466	1.5
117.03368	18.4
117.07018	8.9
119.08588	3.9
121.02866	1.1
121.06491	58.6
121.10128	100.0
122.06829	1.2
122.10463	2.2
124.05225	0.8
125.18185	0.8
129.07005	1.2
130.07826	0.9
131.04924	4.3
131.05742	0.8
131.08556	9.5
133.06464	1.9
133.10117	9.4
134.03636	2.4
135.04410	2.5
135.08055	7.0
135.11673	39.6
136.12056	0.9
143.05420	0.9
144.09326	2.1
145.02829	23.5
145.06522	1.2
146.03119	1.5
146.07260	13.0
147.08044	1.7
149.02327	4.3
149.05956	10.6
149.09583	3.0
149.13235	7.1
158.06055	0.9
159.08051	1.0
159.11678	13.6
162.03073	1.6
162.06792	2.2
162.10365	1.3
163.03865	1.5
177.05452	13.4
177.06888	1.0
177.09096	15.2
177.12724	53.1
177.16354	45.8
178.08563	1.1
178.13116	1.8
178.16733	1.2
186.05495	1.5
197.47252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.41959	0.7
53.03938	2.0
54.61361	0.7
55.01873	2.0
55.05503	3.3
56.96564	0.8
57.07061	0.7
63.02357	1.4
63.90039	0.8
65.03937	2.1
67.05499	4.0
67.95384	0.7
68.18922	0.8
69.03416	1.5
69.07060	5.3
71.52253	1.1
73.28120	0.7
78.04704	2.5
79.05488	6.7
80.39938	0.7
81.07047	7.4
83.04976	13.5
83.08595	2.2
89.03909	50.9
89.88780	0.7
90.04252	1.8
91.05470	13.1
93.07042	15.4
95.04946	3.0
95.08595	10.0
97.06512	8.7
98.98456	13.7
103.05446	5.5
105.03371	1.2
105.07005	7.4
106.04173	3.8
106.04797	0.7
107.04945	4.3
107.08582	14.9
109.06507	1.7
109.10133	2.1
115.05443	2.4
116.06156	1.1
117.03367	80.1
117.06998	10.1
118.03713	3.1
119.04902	1.4
119.08572	17.7
120.08939	0.9
121.02849	1.0
121.06478	11.9
121.10121	12.0
124.05194	2.4
129.07005	0.9
131.04930	3.9
131.08536	7.1
132.08896	0.8
133.06488	2.3
133.10127	4.9
134.03621	15.0
135.04425	11.2
135.08052	3.7
135.11656	4.2
144.09355	1.9
145.02831	100.0
146.03146	4.3
146.07240	10.5
147.04358	1.2
147.08057	3.6
149.02303	3.9
149.05960	34.1
149.07144	1.6
149.09560	2.0
149.13274	3.1
150.06334	1.2
157.10139	0.9
158.05977	3.0
158.07202	0.7
159.04402	0.8
159.08064	1.4
159.11685	8.3
160.03920	1.0
162.03117	10.7
162.06741	1.5
162.10408	8.7
163.03903	6.2
176.80397	0.7
177.03845	1.2
177.05449	47.2
177.09071	15.7
177.12724	83.7
177.16258	6.3
178.05748	0.8
178.08589	1.5
178.13147	3.4
186.05521	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	177.0542
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.71301	0.3
53.03936	1.2
55.01874	0.7
55.05510	2.1
56.96542	0.7
57.07058	0.5
60.97629	0.4
62.01630	0.4
63.02379	1.1
65.03925	0.7
67.05493	1.3
68.87003	0.3
69.03403	0.7
69.07059	2.5
71.25739	0.4
71.26063	0.5
77.03908	0.6
78.04703	3.3
79.05473	3.7
81.03397	0.5
81.07044	3.9
81.90546	0.4
83.04974	0.9
83.08611	1.6
89.03909	49.3
90.04243	1.2
91.05471	12.2
93.07030	9.0
95.04946	2.5
95.08598	5.3
97.06503	0.5
97.10178	0.4
98.98458	8.4
103.05459	3.9
105.03393	0.6
105.04517	0.5
105.07014	6.0
106.04167	3.3
107.04945	2.0
107.08578	8.1
109.06501	1.0
109.10129	1.5
114.97527	0.4
115.05430	1.3
115.89631	0.4
116.06232	0.6
117.03367	84.9
117.07008	2.7
118.03711	1.9
119.04965	1.2
119.08591	2.8
121.02852	0.8
121.06493	5.6
121.09305	0.4
121.10127	9.2
123.08157	0.4
124.05178	1.5
129.06960	0.7
131.04909	3.1
131.08545	8.4
132.05588	0.4
133.06456	1.1
133.10130	2.6
134.03625	10.2
135.04411	8.2
135.08041	1.8
135.10802	0.5
135.11694	1.7
144.09337	0.6
145.02829	100.0
146.03174	3.1
146.07266	6.5
147.04408	0.8
147.08038	1.1
149.02324	2.5
149.05963	30.4
149.09612	1.5
149.13252	1.4
150.06299	0.7
153.93655	0.5
156.93631	0.4
158.05998	2.8
159.04378	1.0
159.08099	2.1
159.11644	2.6
161.09651	0.4
162.03133	2.9
162.06738	0.9
162.10379	1.4
163.03836	2.0
177.05455	31.7
177.09068	12.1
177.12732	23.5
177.16377	4.7
178.04778	0.4
178.05956	0.5
178.08537	0.5
178.13005	0.6
186.05461	7.1
186.06979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01882	1.1
55.05513	0.8
57.03430	7.9
57.07072	100.0
58.07428	0.8
61.02944	0.7
63.02373	1.9
65.03935	1.2
66.92084	0.6
67.05492	0.8
69.07070	1.4
69.28666	0.6
69.52932	4.8
69.74338	0.6
70.06606	0.8
72.37189	0.7
77.70486	0.6
78.04694	4.2
79.05494	3.3
81.04539	0.9
81.07065	1.7
85.06537	48.9
89.03912	46.0
90.04212	0.9
91.05470	8.7
93.07041	5.7
95.04992	2.8
95.08588	1.3
96.83655	0.7
98.21549	0.8
98.98461	8.2
102.69260	0.6
103.05453	4.7
103.07574	9.2
105.03410	1.2
105.04535	0.9
105.07016	1.6
106.04163	7.2
107.04963	1.0
107.08570	3.9
109.06516	0.9
115.05475	2.3
117.03370	65.4
117.07024	2.3
118.03705	1.4
118.06561	1.0
119.08547	0.9
120.08119	1.5
121.02779	0.8
121.06511	7.9
121.10155	3.7
124.05207	1.6
131.04927	4.2
131.08559	3.2
132.08115	1.9
133.06514	1.1
133.10138	1.0
134.03619	10.2
134.07164	0.9
135.04407	7.0
135.08060	1.2
135.11678	1.6
145.02837	82.1
146.03149	3.3
146.07251	7.3
147.04355	1.1
147.08015	1.3
149.02344	2.6
149.05974	32.0
149.09564	1.5
150.06409	1.2
158.05968	1.0
159.08026	2.4
159.10164	8.9
159.11647	2.3
160.07568	4.8
160.08768	1.0
162.03122	4.8
162.06735	1.9
163.03886	5.1
177.05458	32.6
177.09038	9.8
177.11418	0.9
177.12685	3.3
177.16466	1.2
178.04924	0.9
178.08633	0.7
186.05501	2.7
192.03441	0.7
194.54886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02388	1.0
53.03922	3.0
55.01864	1.5
55.05510	9.0
57.07068	1.5
60.43393	0.9
63.02352	2.3
65.03929	1.6
66.78375	1.0
67.05499	25.9
69.07064	8.4
69.44746	3.2
69.45172	5.4
78.04684	4.4
79.05489	42.5
81.03403	1.0
81.07050	27.3
82.00205	0.9
83.08621	6.6
84.61314	0.9
89.03909	59.2
91.05473	20.2
93.07034	55.4
95.04974	4.7
95.08595	36.5
97.02840	1.0
97.06526	1.1
97.10146	1.6
98.98465	17.1
103.05442	3.3
105.03366	1.6
105.07030	7.3
106.04162	3.9
107.04946	2.2
107.08582	27.6
109.06449	2.1
109.10149	10.7
111.11665	1.1
117.03368	86.4
117.07013	6.4
117.50502	1.0
118.03671	2.6
119.04977	1.8
119.08595	5.2
121.06519	7.1
121.10133	63.3
122.10440	1.5
124.05196	2.5
131.04909	4.4
131.08548	5.6
133.10117	5.8
134.03624	10.8
135.04416	9.6
135.08002	3.1
135.10693	1.9
135.11678	24.6
145.02829	100.0
146.03152	3.6
146.07268	9.1
147.07990	1.1
149.02298	5.6
149.05971	33.1
149.09579	2.7
149.13220	4.2
150.06369	1.8
151.03902	1.2
158.05989	4.5
159.08073	2.1
159.11681	7.0
160.03897	1.1
162.03021	1.7
162.06662	1.4
163.03877	3.0
176.10771	1.0
177.05444	34.3
177.06871	2.4
177.09044	12.2
177.12721	17.5
177.16380	29.6
178.08603	1.4
186.05486	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	1.3
55.05502	2.0
57.07063	0.7
59.05006	0.9
63.02372	1.8
65.03928	1.0
67.05500	5.7
69.07062	4.3
71.52628	1.0
71.52992	0.9
75.61449	0.6
78.04703	3.8
79.05482	9.3
81.03413	0.7
81.07052	8.1
83.04980	1.3
83.08623	1.2
89.03907	53.0
90.04247	1.4
91.05473	16.2
93.07031	15.2
95.04967	2.8
95.08591	7.2
97.06519	1.5
98.98456	14.8
103.05452	4.7
105.03397	0.8
105.04424	0.7
105.07014	5.4
106.04156	3.6
107.04940	2.3
107.08581	10.8
109.06533	1.7
109.10127	1.8
115.05410	2.1
116.06185	1.1
116.99512	1.0
117.03368	85.1
117.06998	8.2
118.03717	2.1
119.04939	1.3
119.08578	3.3
121.02864	1.1
121.06508	9.0
121.10121	12.4
124.05209	1.7
129.06999	0.9
131.04929	3.9
131.08563	8.5
133.06496	1.5
133.10086	5.3
134.03629	11.8
134.07272	1.0
135.04398	11.1
135.08057	2.6
135.11676	3.9
136.04987	0.7
144.09409	0.7
145.02829	100.0
145.06482	1.6
146.03180	3.3
146.07249	13.4
147.04376	0.8
147.08003	1.5
149.02335	4.4
149.05960	33.1
149.09630	2.2
149.13271	2.7
150.06303	1.1
153.93756	0.7
158.05992	2.8
159.08040	3.6
159.11707	8.1
162.03099	2.5
162.06738	2.3
163.03897	3.5
177.05450	37.2
177.09065	17.0
177.10472	1.1
177.12720	19.3
177.16344	6.0
178.05907	0.8
178.08611	0.9
186.05498	7.9
187.05846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.18891	0.7
50.88456	0.5
51.02375	0.7
52.82629	0.5
53.03941	4.0
55.01852	3.1
55.05506	0.8
56.96548	0.8
63.02370	1.6
65.03934	4.3
65.15668	0.5
67.05483	0.9
69.03424	1.2
69.07067	1.7
70.92390	1.3
75.67684	0.5
77.03931	1.1
78.04705	14.5
79.05058	1.1
79.05482	5.3
81.03414	1.6
81.07053	2.0
83.04971	0.8
83.08607	0.7
83.13163	0.6
89.03908	49.8
90.04230	1.6
91.05469	28.0
92.05811	0.7
93.07033	9.5
95.04963	6.7
95.08605	2.2
98.98465	10.2
103.05450	8.8
105.03408	3.1
105.04527	2.5
105.07017	3.6
106.04160	59.4
106.07335	0.9
107.04355	0.9
107.05058	3.1
107.08585	5.4
109.06538	0.7
109.07681	0.8
115.05462	1.3
117.03368	84.3
117.07020	3.3
118.03626	1.5
118.06564	0.8
119.04926	2.2
119.08559	2.0
120.08091	12.5
120.08946	1.0
121.02825	1.0
121.06492	29.2
121.10137	6.3
122.05990	0.8
124.05198	1.6
129.04489	0.7
129.06953	0.7
130.04117	0.7
130.06514	0.6
131.04907	6.9
131.08522	4.4
133.06474	1.4
133.10130	1.4
134.03625	12.8
134.07248	0.8
135.04424	9.3
135.08037	2.1
135.11684	2.3
137.09485	0.9
142.88412	0.6
144.05696	0.7
145.02831	100.0
146.03220	2.5
146.07251	9.8
147.04335	1.3
147.07916	0.6
148.05151	0.8
149.02281	3.0
149.05969	48.1
149.09657	1.9
149.13315	0.9
150.06416	1.2
158.06059	1.6
159.04414	1.9
159.08006	1.8
159.11691	2.3
160.08745	0.8
161.05939	0.6
162.03101	4.6
162.06773	1.9
163.03844	4.2
177.05452	41.7
177.09055	15.7
177.11331	1.5
177.12674	7.2
177.16405	2.7
178.04936	0.7
178.05901	0.8
178.10899	0.8
186.05443	4.4
199.07094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.23883	0.8
53.03926	1.8
55.05490	2.3
63.02365	1.2
63.37686	0.7
65.03943	1.0
67.05479	2.2
69.07060	5.1
69.66535	5.0
78.04685	3.3
79.05477	5.1
81.07047	4.4
83.04974	3.8
83.08585	1.4
89.03905	51.8
90.04218	1.3
91.05471	10.1
93.07030	9.0
95.04947	2.1
95.08586	6.7
97.06541	3.5
98.98454	7.8
102.43891	1.0
103.05466	4.1
105.03354	1.1
105.07008	3.5
106.04160	4.2
107.04939	3.0
107.08579	11.0
109.06485	1.1
109.10139	1.7
115.05436	2.7
117.03367	82.4
117.07005	5.5
118.03690	2.3
119.04946	1.8
119.08562	7.1
121.02901	0.9
121.06481	8.7
121.09264	0.5
121.10120	13.1
124.05186	1.3
124.90071	0.7
131.04936	3.9
131.08537	3.8
133.06425	1.1
133.10083	2.6
134.03612	14.2
135.04413	10.9
135.08051	2.0
135.11636	3.3
144.09329	0.9
145.02824	100.0
146.03151	3.0
146.07254	8.5
147.08022	1.4
149.02330	2.8
149.05963	32.3
149.09616	1.0
149.13234	1.1
150.06358	1.4
153.93793	0.8
158.05995	2.1
159.07965	1.1
159.11646	3.7
162.03102	12.4
162.06752	1.7
162.10420	3.4
163.03880	6.5
177.05452	45.4
177.09064	11.8
177.12720	33.5
177.16373	7.0
178.05798	2.1
186.05486	4.5
191.61435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03937	0.8
57.25433	0.3
58.46926	0.4
62.01583	0.6
63.02374	1.1
65.03930	0.6
67.05496	0.4
69.58396	0.8
69.58797	2.3
78.04696	3.2
79.05499	1.1
87.14069	0.4
89.03906	52.0
90.04254	1.1
91.05469	4.3
93.07030	1.1
95.04962	1.3
95.08592	0.4
98.20824	0.7
98.97543	0.6
98.98470	3.1
103.05446	2.8
105.03391	0.7
105.06999	0.5
106.04170	4.2
107.04909	1.0
107.08587	0.5
115.05408	0.5
117.03365	76.4
118.03689	1.4
119.04939	0.8
120.08095	0.8
121.02860	0.6
121.06477	2.4
121.10126	1.1
124.05212	0.9
131.04890	1.1
131.08574	0.5
134.03615	11.9
135.04399	7.3
145.02827	100.0
146.03168	2.3
146.07231	2.9
147.04382	0.4
149.02328	0.8
149.05962	26.1
150.06354	1.2
158.06030	0.7
162.03075	4.0
162.06700	0.8
163.03867	4.4
165.83321	0.5
167.79184	0.4
177.05452	31.4
177.08922	3.2
177.12654	0.5
177.16336	0.5
178.12247	0.9
186.05467	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	177.0541
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02379	0.4
53.03947	0.8
55.05500	1.0
57.03438	0.4
63.02378	1.5
64.51389	0.4
65.03932	0.4
67.05499	1.7
69.07050	0.4
69.86304	0.3
70.67637	1.2
78.04704	3.6
79.05513	2.5
79.05892	0.5
81.07055	2.8
83.08623	0.4
89.03909	49.1
90.04250	1.2
91.05475	7.1
93.07030	5.0
95.04961	2.6
95.08596	1.0
97.06512	0.8
98.98429	1.9
103.05466	2.4
105.03368	0.9
105.04504	0.5
105.07043	1.4
106.04163	4.4
107.04946	0.7
107.08582	3.3
109.06502	0.5
115.05458	0.5
117.03368	81.9
117.06991	2.2
118.03675	2.7
119.04942	1.1
119.08578	1.5
121.02852	0.4
121.06468	2.9
121.09303	0.7
121.10099	2.8
124.05210	1.8
129.04443	0.6
131.04919	1.3
131.08553	2.8
133.06444	0.5
133.10083	1.9
134.03613	9.9
135.04407	6.8
135.08041	1.1
135.11676	0.9
145.02834	100.0
146.03160	2.6
146.07280	2.4
147.04411	0.5
149.02315	0.6
149.05968	27.0
149.09627	0.6
149.13242	1.0
150.06302	0.6
158.06003	1.6
159.08043	0.9
159.11682	2.6
162.03072	1.9
162.06763	0.6
163.03859	1.9
177.05453	28.5
177.09042	4.9
177.11263	0.4
177.12750	7.6
177.16420	0.8
186.05478	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02372	0.5
51.34460	0.4
53.03945	1.4
55.01869	0.7
55.05499	1.2
56.96578	0.4
63.02372	1.2
65.03941	1.1
67.05497	1.2
69.03421	1.1
69.07059	1.6
69.70567	2.9
78.04697	4.9
79.05483	3.2
81.07045	1.6
82.05198	0.4
83.08620	0.7
89.03910	52.2
89.86757	0.4
90.04253	1.1
90.21354	0.4
91.04907	0.6
91.05476	12.0
93.07027	6.5
95.04967	2.9
95.08600	2.4
98.21476	0.9
98.98456	8.2
103.05448	4.0
105.03397	0.9
105.04501	0.5
105.07013	3.0
106.04170	7.9
107.04944	1.8
107.08581	4.4
109.06512	0.9
109.10160	0.7
115.05470	1.8
116.06252	0.8
117.03371	82.9
117.07008	4.8
118.03704	1.7
119.04937	2.4
119.08590	1.2
121.02853	0.9
121.05671	0.7
121.06500	10.8
121.09315	0.7
121.10119	6.0
122.06068	0.4
124.05212	1.8
129.04430	0.5
131.04936	4.8
131.08563	3.9
133.06493	1.8
133.10115	1.5
134.03625	10.7
134.07216	1.2
135.04408	9.0
135.08032	1.9
135.10768	0.5
135.11696	1.9
136.08719	0.4
140.61833	0.5
144.05666	0.6
144.09320	0.5
145.02834	100.0
145.06494	1.5
146.03166	3.1
146.07245	12.7
147.04434	1.1
147.08032	1.5
149.02309	2.5
149.05971	30.2
149.09596	1.9
150.06378	0.7
158.06010	1.4
159.04425	1.2
159.08046	2.0
159.11630	3.0
161.06012	0.6
162.03111	3.3
162.06758	2.8
163.03932	3.2
173.86449	0.4
177.02048	0.9
177.05457	34.4
177.09073	26.0
177.11391	0.6
177.12672	5.8
177.16357	1.6
178.05908	0.9
186.05511	4.5
193.33434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.77079	0.4
53.03945	0.8
54.58935	0.5
55.01860	0.5
55.05505	9.3
57.07058	1.0
59.04980	0.8
65.03941	1.3
67.05493	2.4
69.06678	1.1
69.07059	23.1
69.33987	5.0
70.06593	1.9
77.03902	0.5
79.05487	3.6
81.07042	7.1
83.08607	4.7
91.05466	17.0
91.06027	1.1
93.07031	5.7
95.08595	8.0
97.02886	0.9
97.47643	0.6
98.98457	12.4
103.05466	1.7
105.07018	33.0
106.07345	1.3
107.08581	6.9
109.06512	0.6
109.10128	0.5
115.05459	1.5
116.07096	0.6
117.06985	3.8
119.04930	3.0
119.08564	94.4
120.08903	1.8
121.10114	3.0
122.16396	0.5
129.07002	1.1
130.06511	1.2
131.08539	4.6
132.09338	1.1
133.10112	74.0
134.10472	1.6
142.07770	1.4
145.06479	0.8
145.10103	8.5
146.10855	1.9
147.04366	1.5
147.08031	1.3
147.11676	12.8
157.10120	1.6
158.05940	0.6
159.11688	1.0
160.05220	1.2
160.08812	0.9
160.12463	4.3
173.13257	2.4
175.03871	1.3
175.07530	3.3
175.11436	3.4
175.14801	100.0
176.15149	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	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21912	0.5
56.96557	16.7
58.99866	1.1
59.83928	0.5
70.50592	1.3
70.50983	1.6
71.95258	3.1
89.03909	2.4
91.05463	1.4
93.07028	1.0
95.04982	0.6
95.08586	1.0
98.21515	0.6
98.97573	100.0
99.97934	0.7
100.02473	1.1
101.12500	0.5
103.05458	1.4
107.08578	0.7
113.00835	4.4
115.05448	0.7
116.98608	99.5
117.03356	3.8
117.07011	1.8
117.98949	1.0
118.03529	0.6
119.01911	3.4
119.04913	0.6
120.02030	1.3
121.01649	2.6
121.06499	2.7
121.10123	1.0
129.02660	0.6
131.01894	28.6
131.04895	2.7
131.08546	0.8
132.01947	0.7
133.03441	0.8
133.10156	0.7
134.02937	1.4
134.99641	70.7
135.03201	4.5
136.00018	1.3
136.02618	1.8
137.02934	0.8
139.02722	0.7
140.00175	3.3
145.02765	5.5
145.06403	0.6
146.07249	6.3
147.08076	0.8
149.02988	5.8
149.05983	2.1
149.09572	0.8
153.00697	11.6
153.04108	0.9
154.03470	11.4
155.01868	1.8
158.01266	3.8
160.04590	0.7
160.91211	0.6
161.26007	0.7
162.06686	1.0
167.97060	0.6
172.01421	1.4
172.04462	3.8
172.95421	0.9
173.01451	0.9
173.02931	4.5
173.04115	0.6
176.02283	0.9
177.00703	2.9
177.04109	1.9
177.05408	2.1
177.09085	7.3
177.12653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02385	0.6
52.68904	0.6
53.03945	1.4
55.05268	1.0
55.05505	11.4
57.07065	1.0
60.05632	2.1
67.05483	3.0
69.03413	0.6
69.07062	22.7
70.06345	0.9
70.06630	4.5
72.08142	1.4
79.05470	3.6
81.07048	12.4
83.05000	0.8
83.08600	5.7
89.30075	0.6
91.05473	17.1
93.06519	1.0
93.07027	5.6
94.57668	0.7
95.04945	1.0
95.08604	8.8
97.02880	1.3
98.98453	16.5
103.05463	1.6
105.07019	45.2
106.07334	1.5
107.08587	6.8
115.05459	1.4
116.06289	0.9
116.07077	2.2
117.06982	3.9
119.04869	1.1
119.08567	98.6
120.08096	0.6
120.08913	2.2
121.10114	2.5
127.03862	0.8
129.07011	1.6
130.06490	1.7
130.09686	0.9
131.08553	8.9
132.95782	0.8
133.10117	71.6
134.10457	2.3
134.43742	0.6
135.07860	0.8
142.07733	1.5
145.10129	7.6
146.10863	2.2
147.04411	1.8
147.06413	1.0
147.07996	1.1
147.11667	16.8
151.93825	0.7
157.06456	0.8
157.10088	1.3
158.09152	1.0
158.10921	0.9
160.08798	0.8
160.12520	3.6
173.13277	2.7
175.03792	0.7
175.07530	2.8
175.11424	2.1
175.14810	100.0
176.07030	1.5
176.15143	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82241	0.7
53.03942	1.1
55.05504	9.1
57.07066	1.0
65.03896	0.9
67.05481	3.1
69.07060	25.3
70.06628	1.5
70.07053	2.7
79.05487	4.2
81.07042	10.4
83.08606	5.8
90.68930	0.7
91.05471	13.5
93.07021	6.1
95.08601	8.1
98.98451	4.7
103.05442	1.2
105.07018	37.1
106.07314	0.9
107.08596	7.2
109.10137	1.0
115.05403	0.7
117.06991	2.6
119.08568	95.0
120.08905	2.2
121.10117	2.4
131.08559	5.7
132.09320	1.6
133.10114	85.3
134.10446	1.4
145.10110	7.5
146.10875	2.1
147.04327	0.9
147.11665	14.0
159.11703	1.0
160.12469	4.1
173.13243	3.0
175.14803	100.0
176.15137	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05508	7.6
57.07068	1.1
58.48133	0.5
67.05492	2.3
69.07064	27.2
69.46976	3.7
79.05479	3.4
81.07043	5.9
83.08614	4.2
91.05474	11.6
93.07039	4.2
95.04943	0.7
95.08602	5.9
98.21540	0.8
98.98486	3.0
102.10576	0.5
103.05444	1.1
103.39261	0.5
105.07022	27.6
107.08588	5.7
115.05431	0.6
117.07020	3.7
119.08572	95.0
120.08903	1.9
121.10139	3.0
121.16478	0.4
123.07969	0.5
131.08559	4.3
132.09389	0.7
133.10120	82.4
134.10435	2.5
135.11696	1.2
145.10103	7.4
146.10840	1.5
147.04462	0.8
147.11670	12.8
150.02490	0.5
159.11694	0.9
160.12462	3.8
173.13283	3.3
175.07457	1.0
175.14809	100.0
176.15176	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
50.04323	0.5
53.03948	1.5
55.05502	13.7
57.07055	1.2
67.05492	3.7
69.07058	16.0
69.43405	4.8
70.06582	0.9
79.05492	5.6
81.07043	21.8
81.45818	0.5
83.08604	4.5
87.87147	0.6
91.05472	17.2
93.07031	7.0
95.08597	13.9
98.21513	0.8
98.98446	4.0
103.05462	0.9
105.07017	64.0
106.07344	1.5
107.08575	9.7
109.10132	1.7
115.05448	1.0
117.07009	4.9
118.07804	0.7
119.08566	100.0
120.08947	2.4
121.10154	2.3
129.06993	0.7
131.08545	11.0
132.09322	1.2
133.10114	59.8
134.10455	1.8
145.10110	4.7
146.10898	4.1
147.11670	18.5
148.12048	0.8
160.12447	1.8
173.13231	2.7
175.14804	98.9
175.67047	0.5
176.15170	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.63885	0.5
55.05505	8.7
57.07073	0.8
57.33193	0.6
59.22131	0.6
62.26720	0.7
66.09421	0.6
66.61537	0.6
67.05489	2.1
69.06675	1.2
69.07062	25.1
70.06597	2.3
70.97055	1.1
77.14194	0.6
79.05470	2.3
81.07043	5.3
83.08608	4.1
91.05479	12.4
93.07033	4.8
95.08600	6.1
96.53155	0.6
98.98455	15.2
103.05442	1.1
105.07018	27.8
107.08586	6.1
115.05490	1.0
117.07014	3.9
119.08567	98.0
119.63297	0.5
120.08924	2.1
121.10128	2.1
129.06979	1.0
130.06508	1.6
131.08536	5.2
132.09305	1.3
133.02873	2.4
133.10117	82.8
134.10480	2.6
135.11690	0.9
142.07799	1.3
145.10092	8.2
146.10875	1.9
147.04449	0.7
147.08006	0.8
147.11670	14.6
157.10120	0.8
158.10945	0.7
159.11612	0.9
160.05222	0.9
160.12456	4.5
173.13216	2.6
175.03860	0.9
175.07509	1.3
175.11243	2.4
175.14803	100.0
176.07025	3.1
176.15172	4.0
192.77155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05508	4.5
55.82690	0.8
56.96552	1.5
57.03432	100.0
58.03756	1.0
67.05478	1.5
69.07063	6.9
70.06571	4.1
70.39156	1.8
70.39545	2.0
77.94263	0.9
79.05470	2.9
81.03376	0.9
81.07039	5.6
83.08619	1.4
83.28065	0.9
91.05473	19.1
93.07015	3.6
95.04948	1.5
95.08588	4.2
97.02869	2.0
98.98456	55.1
103.05466	1.2
105.07023	41.9
107.04948	1.3
107.08572	3.2
115.03931	1.0
115.05415	1.1
116.07056	1.2
116.99466	1.2
117.07021	6.1
119.04914	6.6
119.08571	86.8
120.08905	1.3
121.10121	1.1
129.07011	6.2
131.08560	6.0
132.05708	1.2
133.06441	1.9
133.10117	30.3
141.06956	1.6
142.07773	17.0
145.06488	1.9
145.10103	2.8
146.07224	2.0
147.04355	2.1
147.08023	6.1
147.11690	8.7
151.94016	1.9
157.10109	24.1
157.11340	1.9
158.10507	1.0
160.08836	2.8
160.12311	0.9
175.03902	1.2
175.07576	4.4
175.11169	69.2
175.14790	28.8
176.07071	2.2
176.11519	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	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.69140	0.3
56.96568	3.5
59.66953	0.4
60.05645	35.2
67.81419	0.3
69.03444	0.4
69.61241	2.1
69.61643	0.5
70.06586	100.0
71.05003	2.1
71.06925	1.0
72.08156	5.0
81.02207	0.4
84.08138	0.4
88.07641	0.8
97.07643	0.7
98.06039	0.6
98.97569	2.4
98.98478	0.7
110.97575	0.6
112.08713	4.8
112.11255	0.5
115.08682	0.8
116.07086	26.9
116.98618	1.6
119.01888	1.5
128.98610	0.7
130.06546	1.1
130.09747	12.8
132.04472	1.2
132.53358	0.4
133.03479	0.8
134.99619	0.4
141.06618	0.4
146.99698	0.4
148.07613	0.6
153.52522	0.4
157.07655	0.6
157.10849	1.2
158.05994	1.1
158.09248	8.6
174.99121	1.6
175.04492	0.9
175.11894	22.5
187.89041	0.4
193.00209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	0.5
55.01857	0.6
55.05506	11.5
56.96535	0.4
57.03416	0.5
57.07064	1.4
58.07402	0.7
59.05004	2.4
60.04515	0.8
65.03944	0.4
67.05496	2.3
69.03421	0.7
70.22700	1.9
71.08612	0.6
72.93812	2.2
73.02917	0.5
76.02219	0.9
79.05482	1.5
81.03429	0.7
81.07035	2.1
83.04971	10.8
84.04510	0.7
85.80570	0.4
86.06023	0.6
87.04450	0.9
88.07610	1.3
88.94891	0.4
89.02399	1.0
89.07952	0.7
90.90360	2.8
90.94818	1.8
91.05470	10.8
93.07022	0.7
93.36600	0.4
95.04922	0.4
96.04469	0.9
97.02863	1.2
98.20897	0.5
99.04446	1.2
101.06007	8.1
102.09184	0.9
103.03273	2.1
103.05450	0.6
105.07022	11.7
107.08591	0.4
110.38680	0.5
111.04436	9.7
111.05208	0.5
113.06023	1.0
113.96370	0.9
114.05524	1.4
115.05431	2.7
116.06205	2.2
117.06999	6.5
117.11022	0.4
118.06506	0.5
119.08572	13.5
127.07553	1.3
128.06204	1.9
128.07042	0.4
129.05490	5.8
129.06979	10.8
130.07782	5.1
131.08551	74.1
132.08888	1.7
133.10120	3.0
137.05928	0.5
142.07753	1.1
143.08543	27.8
144.09344	8.1
145.06439	1.1
145.10109	27.6
146.10455	0.8
149.93993	2.3
150.96820	0.5
155.05888	0.2
155.07028	7.5
155.08450	1.2
156.09296	1.5
157.10127	2.0
158.07324	2.5
158.10896	35.9
159.11617	2.1
164.17810	0.4
167.95061	0.4
167.97186	0.7
171.11696	2.1
173.05869	0.9
173.08176	10.4
173.09647	5.5
173.13242	100.0
173.17273	8.8
174.05444	0.5
174.07605	1.4
174.13725	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	175.0864
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
53.03925	0.7
55.01868	0.6
55.05485	0.9
56.05009	0.9
56.96541	1.4
57.93559	0.6
58.02944	0.6
59.05001	0.6
60.04501	1.2
60.05371	0.7
60.05641	8.5
60.13364	0.5
65.03945	0.6
65.92267	0.5
69.03400	2.1
69.07055	0.8
70.06209	1.1
70.06584	21.6
70.12291	1.6
72.08128	1.7
72.93763	1.2
75.05591	0.7
76.03994	0.7
79.05470	0.7
80.04993	3.1
81.04517	0.6
81.07032	1.3
82.02930	2.8
83.04953	1.0
85.02875	1.2
87.04424	1.3
90.94778	0.5
91.05470	4.5
93.07014	0.6
94.06539	3.8
95.04971	0.6
97.02879	1.5
98.98453	35.0
103.05457	5.3
104.04971	2.8
105.06995	2.9
106.06565	0.8
108.04485	3.1
108.95866	0.7
111.04406	0.8
112.08701	0.8
115.03906	0.9
115.05417	1.8
115.08733	0.6
116.07072	5.7
116.97227	3.4
116.99459	0.7
118.06516	2.3
119.04925	1.1
119.08588	5.3
120.04450	0.6
120.08078	2.0
127.03883	0.7
128.04941	1.0
129.05620	0.7
129.06912	0.8
130.06511	100.0
130.09715	2.7
131.04904	5.4
131.06851	2.1
131.08537	1.1
131.99603	1.2
132.04434	64.0
132.06682	1.5
132.95828	1.3
132.96899	0.7
133.05075	2.0
133.06142	1.3
133.07590	0.8
133.10129	4.0
134.05992	1.5
134.99638	1.2
139.04045	0.6
140.04877	0.8
142.07735	0.8
146.06001	8.7
147.04416	1.9
147.06339	4.3
147.08060	1.2
147.09155	2.3
147.11699	1.3
148.07555	12.8
148.08713	1.0
150.96848	1.8
150.97926	0.7
151.93681	0.6
151.97183	0.8
152.96906	1.5
156.06783	1.1
157.07591	33.8
158.05995	86.5
158.09248	1.8
159.06361	2.6
160.05264	1.0
168.73740	0.5
169.97536	0.7
175.03857	1.2
175.05975	1.6
175.08670	38.6
175.11850	3.3
175.13141	0.8
175.14737	3.5
175.98531	1.9
176.03604	0.7
176.07057	3.4
176.08998	1.5
187.63924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05508	2.6
57.24267	0.4
59.05011	0.4
65.03944	0.5
67.05492	2.3
70.89462	0.7
83.04955	2.4
89.02380	0.4
91.05463	3.6
93.07041	0.5
101.05988	1.7
101.23291	0.4
103.03341	0.4
103.05399	0.4
105.07017	4.6
111.04417	2.9
111.49418	0.4
114.05495	0.4
115.05458	0.6
116.06216	1.1
117.07016	2.2
119.08573	11.6
127.07545	0.4
128.06215	1.8
129.05473	1.1
129.06972	5.4
130.07759	2.0
131.08553	32.0
132.08865	1.0
133.10112	6.0
141.07005	0.6
142.07761	1.6
143.08545	38.4
144.09343	6.1
145.10109	18.8
146.10443	0.6
149.94012	0.4
155.05939	0.4
155.07072	1.7
156.09344	1.4
157.10095	2.2
158.10892	63.4
159.11263	2.7
171.11656	2.2
173.08275	3.0
173.13239	100.0
174.13580	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	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.52700	0.9
55.05505	15.3
59.04992	4.2
60.04518	1.9
60.13745	0.7
67.05481	3.2
68.05046	1.1
69.03421	1.5
71.06120	0.8
71.08668	0.9
71.52911	0.9
76.02235	1.4
81.07050	1.8
83.04968	19.1
84.04470	1.2
85.06545	0.9
87.04436	1.0
89.02396	1.6
90.90369	4.2
91.05463	7.6
96.04487	2.2
97.02860	3.2
98.98457	2.6
101.06009	11.5
103.03282	3.9
105.07018	12.7
111.04425	15.0
111.05136	1.5
112.04783	0.8
113.05981	1.4
114.05527	2.6
115.05396	1.8
116.06219	1.6
117.06998	6.6
118.06500	1.4
119.08569	10.4
127.07533	2.1
128.06221	2.3
129.05450	9.0
129.06956	11.5
130.07770	5.7
131.08548	50.4
131.92934	0.8
132.08888	0.9
133.10144	4.2
139.01990	0.7
141.06958	0.9
142.07745	1.5
143.08548	22.2
144.09335	15.6
145.06485	1.2
145.10107	64.2
146.10439	2.4
149.94067	4.3
155.07028	10.8
156.09349	1.8
157.10086	2.1
158.07353	1.5
158.10893	40.4
159.11264	1.3
161.34320	0.8
173.02141	0.9
173.05980	0.9
173.08200	17.6
173.09683	2.7
173.13239	100.0
174.05466	1.2
174.07654	2.9
174.13571	3.6
190.51906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03950	0.7
55.01890	0.5
55.05505	10.4
56.96575	0.5
57.03436	0.5
57.07074	0.5
59.04979	2.6
60.04512	0.5
67.05493	3.1
69.03432	0.9
69.87492	1.2
69.87885	0.9
72.93793	1.7
76.02218	1.2
79.05505	1.5
81.07066	1.3
83.04971	10.2
84.04497	0.8
84.05337	0.4
85.02936	0.7
87.04432	0.8
90.90359	2.4
90.94816	1.0
91.05469	7.5
92.05813	0.4
96.04510	1.0
97.02898	1.2
98.20792	0.9
99.70621	0.4
101.06000	8.7
103.03275	2.1
103.05491	0.5
105.06310	0.6
105.07018	11.3
111.04427	9.8
113.05991	1.2
114.05541	1.0
115.03931	0.6
115.05457	1.8
116.06217	1.8
117.07006	7.4
118.06482	0.6
119.08562	10.6
120.08906	0.5
126.51663	0.4
127.07507	1.3
128.06181	2.0
128.50720	0.4
129.04523	0.6
129.05498	6.0
129.06990	15.3
130.06786	0.5
130.07779	6.0
131.08549	48.3
131.93007	0.7
132.08922	1.0
133.10106	2.1
136.56467	0.5
141.06956	0.7
142.07732	1.0
143.08533	16.8
144.09329	22.0
145.06429	1.2
145.10107	87.8
146.05946	0.5
146.10448	2.5
149.94060	2.7
149.96135	0.7
155.07022	8.2
156.09326	1.5
157.10135	0.9
158.07281	1.1
158.10892	21.9
159.11273	0.6
167.97064	0.8
171.11655	2.3
173.08212	11.0
173.09727	2.1
173.13237	100.0
174.05504	0.9
174.07585	1.4
174.13708	3.1
179.60789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56356	0.4
53.03938	0.7
55.01838	0.7
55.05505	8.1
56.96533	0.6
57.03430	0.6
57.07066	1.3
59.04987	1.3
60.04514	0.6
60.97269	0.4
66.92426	0.4
67.05498	3.0
69.03413	0.8
69.07052	0.7
70.77808	1.4
71.04971	0.6
79.05476	4.0
81.03413	0.5
81.07044	3.1
82.07381	0.4
83.04970	7.5
84.04493	0.6
85.02909	0.7
91.05470	16.6
93.07016	2.9
95.08594	1.8
97.02887	1.2
98.36057	0.5
98.98451	0.9
99.04472	0.6
101.06006	5.6
103.03281	1.2
103.05454	1.0
105.07014	11.8
106.41237	0.4
107.08583	1.2
111.04425	6.4
113.06002	1.3
114.05547	0.9
115.05469	1.6
116.06277	2.1
117.07008	14.9
118.03537	0.6
119.08566	5.8
126.65568	0.4
127.07577	0.6
128.06212	1.1
129.05519	2.4
129.06976	7.2
129.19946	0.5
130.07779	3.1
131.08548	100.0
132.08829	2.3
133.10118	0.9
137.05956	0.6
143.08517	6.5
144.09322	3.3
145.06461	0.8
145.10104	23.2
146.10623	0.5
155.07014	4.7
155.08360	1.0
158.07239	1.8
158.10887	8.4
171.11748	1.5
173.08176	9.1
173.09923	2.1
173.13242	77.8
174.07561	1.2
174.13739	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	171.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05497	0.6
55.77347	0.3
56.05045	0.5
56.96559	18.6
57.03421	1.2
61.02924	0.5
62.17633	0.3
62.51041	0.3
68.05025	0.6
68.21032	0.3
69.03416	0.9
69.22108	2.1
69.22522	1.1
70.06586	0.7
71.95273	2.0
72.04505	1.0
72.08154	3.4
73.02908	0.8
74.97604	0.5
81.04532	0.9
83.00784	0.4
83.01325	0.4
83.06097	0.4
84.04492	0.8
84.08154	0.6
84.96024	0.6
85.02883	0.9
85.07655	0.6
86.09688	0.7
87.04448	0.5
88.07632	0.3
89.00800	0.4
89.07151	0.4
90.01527	0.9
95.06081	7.3
96.06863	67.2
97.02896	0.9
97.06572	0.6
97.07185	1.2
97.07669	8.9
97.99171	0.8
98.01317	0.5
98.07978	0.4
98.97572	11.3
99.02064	0.8
100.07619	0.7
101.00824	1.0
106.01010	0.4
109.07641	0.3
110.01265	0.9
110.07226	0.4
110.07985	1.0
110.20625	0.3
110.97562	6.4
111.00811	0.4
111.04424	0.8
111.05561	0.4
116.00211	0.9
116.98605	11.9
117.12442	0.3
118.75695	0.3
119.01876	4.1
121.01653	1.3
123.03209	0.3
125.07101	59.8
126.07438	1.0
128.00204	1.1
128.02338	0.7
128.98590	16.7
129.98915	0.5
131.00151	0.4
132.02515	0.3
133.03465	0.6
134.01231	0.8
134.99635	9.7
137.02870	2.0
139.00247	4.7
139.02762	0.6
139.03860	0.6
139.53149	0.4
140.00218	0.5
145.01701	0.6
145.02757	0.6
146.01218	2.6
146.99631	22.0
147.03186	0.8
147.04997	0.4
147.99925	0.5
148.01643	0.5
148.53600	0.4
149.01230	0.9
152.00183	0.7
153.00697	1.4
153.06564	1.4
154.04926	0.3
154.08672	0.4
157.01308	5.9
157.03516	0.4
158.01257	0.9
161.01253	0.5
161.02925	0.6
164.02245	0.4
165.00700	3.7
167.02187	0.4
170.01231	1.4
171.07625	100.0
172.08035	1.9
172.09535	0.4
179.02249	0.7
189.00662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.50089	0.3
53.03932	0.7
55.01862	3.7
55.05502	4.6
56.05027	0.5
56.96556	2.3
57.03426	0.5
57.07080	0.4
58.06582	0.3
59.04978	0.4
59.06116	0.5
59.35266	0.3
60.04535	0.4
65.03931	25.0
66.04263	0.6
66.74870	0.3
67.05492	2.2
67.90485	0.3
68.02617	0.4
68.99781	9.7
69.03424	2.1
69.07054	1.0
70.06592	0.9
70.80871	0.9
70.94249	0.8
71.01337	0.6
71.04982	0.7
71.06104	0.4
72.04511	5.4
72.08141	1.4
72.93779	1.9
73.04044	0.4
75.05634	0.3
79.01844	0.7
79.05487	1.4
81.03409	4.5
81.07077	0.5
82.06549	0.5
83.01327	0.7
83.04971	11.3
83.06082	0.7
83.08604	1.4
83.09637	0.3
84.04499	0.8
84.08128	1.1
85.02892	0.5
85.06529	0.3
85.07637	0.5
86.09694	4.9
88.95325	0.5
89.07137	3.4
90.94824	0.5
93.03383	5.6
93.07034	0.5
95.04951	0.6
96.02107	1.5
96.06865	0.6
96.08147	0.4
97.02880	2.0
97.04015	0.3
97.06496	1.1
97.07652	0.6
98.06036	0.3
98.97585	0.9
104.03380	0.4
107.04964	0.5
107.08606	0.6
109.02866	0.8
109.06441	0.4
110.07170	0.5
111.04425	96.2
111.09178	0.7
112.03998	0.6
112.04783	1.8
113.96384	0.4
114.06632	0.4
114.09233	0.3
115.03890	0.3
115.05437	0.4
116.98581	0.7
121.02875	1.4
121.03973	6.9
125.02322	0.5
125.05970	1.2
125.07027	1.5
125.07918	0.4
125.09602	0.6
126.05495	0.7
126.06510	0.6
126.09141	0.6
126.10232	0.4
126.20677	0.3
127.03872	0.8
128.06232	0.8
131.97305	0.4
134.99693	0.3
135.30774	0.4
139.00352	1.8
139.03880	100.0
140.04218	1.9
143.03389	0.6
143.06017	0.3
143.08524	0.9
143.11804	0.7
146.99619	0.8
147.96896	2.3
147.99042	0.3
148.97400	0.7
153.01833	3.2
153.05446	1.2
154.08556	0.4
155.74960	0.3
156.03726	0.9
156.09332	0.8
157.01312	2.5
165.97928	2.0
171.02914	2.4
171.04179	0.6
171.06506	5.7
171.07736	1.0
171.10045	0.4
171.11316	0.8
171.14923	2.5
172.07204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.03457	0.9
55.01860	4.0
55.05507	7.1
56.05023	3.0
56.96555	1.2
57.03421	1.7
58.06575	1.0
59.05001	0.8
59.06123	3.3
65.03611	1.0
65.03931	12.0
67.01858	0.7
67.05489	4.4
68.05013	4.4
68.99776	2.4
69.03413	3.3
69.04535	1.2
69.07053	2.5
69.20257	1.7
69.20675	4.8
70.06577	2.5
71.04971	1.3
71.07345	1.2
72.08141	2.6
78.04707	3.8
79.05487	11.0
79.82574	0.6
80.04993	1.1
81.03426	4.3
81.04530	2.5
81.07044	4.2
81.95057	0.7
82.05341	0.6
82.06577	5.6
82.94827	1.1
83.04964	8.9
83.06078	5.1
83.08609	1.5
84.04497	0.8
84.08125	2.4
85.02885	0.6
85.07650	2.3
91.05478	5.4
93.03386	4.4
93.07034	10.6
94.04204	2.9
94.06548	2.7
95.04952	7.9
95.06054	2.4
95.08593	1.2
96.05725	3.6
96.06802	0.8
97.02876	2.8
97.06541	2.9
97.07626	3.5
98.06107	0.7
98.07175	0.7
98.98455	0.8
99.09193	1.2
103.05455	1.2
105.03335	0.7
105.04488	0.9
105.07037	1.8
106.04151	1.2
107.04952	5.5
107.06065	1.5
107.08572	8.5
108.04482	0.9
108.05721	5.4
109.02870	2.8
109.06522	5.2
109.07630	13.4
110.06021	1.7
110.07141	1.9
110.08434	6.4
111.04427	32.0
111.08065	3.0
111.09196	7.7
112.04018	0.6
112.04756	0.8
120.08078	0.8
121.01682	3.2
121.02853	28.9
121.06489	6.8
121.07604	1.9
121.08352	3.4
121.10130	7.1
122.03626	0.9
122.06136	1.0
122.07149	4.1
123.04426	6.9
123.05296	0.9
123.08041	2.0
123.09165	3.1
123.11726	0.9
124.05188	13.9
124.07677	0.8
124.08703	3.6
125.05967	5.1
125.06936	1.0
125.08228	1.3
125.09624	2.5
125.96412	1.1
126.05533	1.3
126.10248	1.1
127.03905	0.9
127.07436	1.4
127.11005	0.8
131.08577	1.7
133.07605	0.9
135.04364	1.4
137.02359	1.0
137.06020	1.4
139.02817	3.0
139.03882	84.2
139.07518	31.5
139.08620	1.5
139.11130	1.5
140.04271	1.8
143.96716	1.3
144.03232	2.8
149.02324	61.7
149.05963	3.2
149.07062	0.9
149.09644	4.0
150.02733	1.5
150.05458	1.3
150.06581	1.3
150.10236	12.0
151.03894	1.0
152.04688	2.0
152.06049	0.6
162.04314	1.6
167.03381	100.0
167.06987	22.2
167.08116	1.5
167.09221	2.5
167.10547	6.9
167.12889	4.0
167.14204	1.3
168.03809	2.4
168.06581	1.9
168.11253	1.0
168.17433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03920	0.9
55.01865	10.6
55.02121	0.4
55.05473	1.3
55.36730	0.4
55.93499	1.0
56.96540	0.7
57.03410	0.9
59.06091	0.9
62.89890	0.4
65.03615	0.5
65.03931	6.1
67.01546	0.4
67.01858	5.6
67.05500	6.7
68.04984	0.5
68.99780	3.8
69.03408	0.8
69.07051	3.2
70.06554	0.9
71.02554	0.7
71.02863	0.6
71.04947	1.4
79.05493	2.4
81.03405	4.2
81.07043	4.7
83.04958	1.2
83.05504	0.4
83.06076	0.8
85.02930	1.9
85.03361	0.4
86.08401	0.4
89.12537	0.5
89.90726	0.4
91.05434	1.1
92.05006	0.6
93.03372	1.5
93.07008	1.3
95.04958	8.8
95.06130	0.4
95.08064	0.6
95.08599	6.7
97.02887	0.8
97.06497	1.5
98.03667	0.8
98.07175	0.5
99.04438	0.8
105.03378	0.6
105.07016	2.0
107.08569	2.4
109.02862	8.5
109.06513	3.4
109.07619	0.7
109.10127	1.7
110.03674	0.9
110.05986	0.9
110.07150	1.0
111.00787	5.5
111.03724	0.6
111.04433	8.8
111.08044	1.3
111.09203	1.6
113.05950	0.8
115.05444	3.4
123.00782	0.9
123.04414	38.5
123.08038	3.0
123.11674	1.7
124.04734	1.2
124.07563	1.1
125.05962	2.0
125.09651	0.4
126.03119	9.6
127.03905	11.1
127.11146	0.5
128.04268	0.5
128.95061	0.7
133.02786	1.0
133.10129	0.8
134.05983	0.5
141.05441	23.5
141.06958	6.3
142.08675	0.7
144.00378	0.6
146.96141	1.2
147.70006	0.4
151.03885	53.4
151.07526	1.6
151.11169	1.5
152.04242	1.5
152.07034	1.0
152.08174	0.5
154.02573	0.9
154.06390	0.4
154.07755	0.9
158.00087	0.5
167.00650	1.4
169.04953	100.0
169.06383	6.8
169.12207	1.0
170.05316	2.6
170.08089	1.7
170.09621	1.4
178.51418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31800	0.4
53.00304	0.5
53.29782	0.4
53.95902	0.4
54.14444	0.4
55.01859	0.4
56.18538	0.4
56.67180	0.4
56.96553	0.8
57.46746	0.4
58.06596	0.6
69.07036	0.4
70.06590	0.5
71.51381	0.7
72.04508	0.7
72.08134	0.8
72.93783	0.6
79.05494	0.5
83.04945	0.5
83.06096	0.5
92.04985	0.5
93.05769	1.2
96.08162	0.4
97.07610	0.8
98.06061	0.4
107.04893	0.5
108.19138	0.4
110.06013	0.7
111.04443	0.8
111.17905	0.4
112.47099	0.4
115.05440	48.0
116.05001	0.8
116.05769	1.2
124.07585	1.2
125.05991	0.8
140.04895	0.7
141.05605	0.8
142.06516	28.6
142.08617	1.0
143.06856	1.4
147.96881	0.9
152.07024	0.6
153.01819	0.4
153.05449	0.6
160.07538	1.2
165.97911	0.5
170.05994	100.0
170.09586	2.4
171.06522	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03952	0.3
55.05507	3.4
57.03429	0.3
57.07075	0.2
59.04989	0.3
60.77175	0.2
65.03943	0.5
65.09525	0.2
67.05494	1.9
69.03419	0.8
69.07058	2.7
69.33302	1.0
69.33737	1.3
70.22247	0.2
71.04968	0.7
79.05487	2.5
81.03404	1.5
81.07044	5.5
82.53419	0.3
83.04958	0.6
83.08610	3.0
85.06536	0.4
91.05474	4.2
93.07037	1.9
95.04958	100.0
95.08591	3.4
96.05288	2.0
97.06567	0.3
101.00866	1.0
101.02581	0.3
103.05481	0.2
105.07018	4.6
107.08578	8.3
109.06505	17.7
109.10117	1.2
110.06886	0.3
117.06980	0.5
119.01065	0.3
119.01911	6.2
119.04919	2.7
119.08563	4.6
120.01999	0.3
120.08075	0.5
120.08877	0.3
121.10124	2.1
123.04406	0.5
123.08034	1.0
123.11674	1.1
137.02965	3.0
137.05984	1.2
137.09622	1.4
137.13251	1.3
141.27553	0.3
142.03481	5.3
142.96640	0.8
147.04401	4.3
147.08049	1.9
147.10497	0.5
147.11673	8.2
160.04532	1.8
165.01814	0.3
165.05563	1.5
165.07632	0.8
165.09091	2.6
165.12735	49.0
166.05000	0.5
166.08606	0.7
166.13098	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.56780	0.1
68.54493	0.1
70.55737	0.4
70.56087	0.3
79.05479	1.6
91.05463	1.2
93.07034	2.7
95.04961	0.5
103.05457	11.8
104.05772	0.5
107.04943	2.3
109.42726	0.1
118.06555	0.3
120.08091	100.0
121.07679	0.2
121.08434	2.4
131.04918	2.6
132.05284	0.2
136.69930	0.1
149.05951	0.6
166.08597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03954	0.1
55.01886	0.1
55.05521	0.1
56.96569	0.2
65.03954	0.3
67.05530	0.3
68.05019	0.1
69.03440	0.2
69.07081	0.3
70.07400	0.1
71.52102	0.1
71.52547	0.1
78.04708	0.2
79.05484	1.6
80.05026	0.4
81.03437	0.2
81.07070	0.3
82.06581	0.2
83.05009	0.2
83.93029	0.3
84.96053	0.1
91.05470	1.2
92.05831	0.1
93.03362	0.2
93.07037	3.0
94.06573	0.1
95.04975	0.5
95.08615	0.3
96.04467	0.1
96.08952	0.1
97.06522	0.1
101.94047	0.1
102.02258	0.1
103.05455	11.3
104.05782	0.2
105.07019	0.2
107.04953	2.3
107.08569	0.2
108.04469	0.1
109.02882	0.1
109.06499	0.3
109.07643	0.1
109.10135	0.1
110.06096	0.2
110.10485	0.1
111.04485	0.2
111.08085	0.1
116.97225	0.1
118.06528	0.3
119.01917	0.2
120.02039	0.4
120.08091	100.0
121.01643	0.2
121.02869	0.1
121.06499	0.4
121.07581	0.2
121.08430	2.9
121.10062	0.2
122.07128	0.1
123.04402	0.4
123.08054	0.1
124.03945	0.1
124.05212	0.4
124.08677	0.2
125.02354	0.1
125.05943	0.1
131.04912	2.6
131.08514	0.1
136.07574	0.4
138.03038	0.2
138.05481	0.5
138.06476	0.1
138.09109	0.1
139.02718	0.1
139.03819	0.1
139.07533	0.7
142.96683	0.9
143.03593	0.2
148.03734	0.1
148.04764	0.3
148.07567	0.2
149.02280	0.2
149.05917	0.7
152.04590	0.1
161.04561	0.1
166.04955	1.0
166.08580	3.0
166.13220	0.1
167.03342	0.4
167.07027	1.4
167.09160	0.1
167.10632	0.2
167.14299	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	167.0338
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
52.08412	0.5
53.03939	2.1
53.80805	0.5
54.03466	0.5
55.01867	3.3
55.05508	4.2
56.05014	2.0
56.12436	0.5
56.96552	1.3
57.03439	0.7
58.06591	0.9
58.27852	0.5
59.04984	0.6
59.06115	2.2
65.03934	13.4
65.68359	0.4
66.04375	0.4
66.04709	1.1
67.01859	0.9
67.05500	3.3
68.05023	2.3
68.99777	3.5
69.03423	2.6
69.04527	0.7
69.07062	1.3
69.87525	2.6
70.06602	2.2
71.04987	0.7
72.08141	1.4
73.02905	1.3
78.04707	7.6
79.01856	0.5
79.05488	7.7
80.05007	0.9
81.03402	2.7
81.04530	1.7
81.07065	3.4
82.06577	2.9
83.04974	5.2
83.06084	2.8
83.08619	0.7
84.08125	2.1
85.02933	0.8
85.07668	0.9
91.05489	4.5
92.04913	0.5
93.03394	3.1
93.07034	7.1
94.04178	2.3
94.06557	1.5
95.04952	5.3
95.06082	1.3
95.08568	1.7
96.04512	0.5
96.05746	3.5
96.08099	0.5
97.02879	1.7
97.06508	2.0
97.07645	1.8
98.07182	0.8
102.94877	0.5
103.05479	1.1
105.03391	0.9
105.04494	0.8
105.07022	1.9
105.22931	0.4
106.04188	3.0
107.04948	4.5
107.06070	0.8
107.08589	6.1
108.04456	0.7
108.05733	4.2
109.02874	3.6
109.06503	5.2
109.07629	8.1
109.10149	0.7
110.03616	0.4
110.07172	1.2
110.08433	4.2
111.04433	31.4
111.08070	2.1
111.09184	4.9
112.04770	0.7
119.04890	1.0
121.01709	2.0
121.02856	46.5
121.03899	1.9
121.06489	6.4
121.07486	0.7
121.08434	1.5
121.10123	5.5
122.06062	0.5
122.07135	3.1
123.04415	13.8
123.05353	1.0
123.08057	1.2
123.09179	2.0
124.05199	15.9
124.08697	3.1
125.02309	0.6
125.06017	3.7
125.06822	0.8
125.08215	0.9
125.09623	1.6
126.05454	0.5
126.10267	0.7
127.07473	0.8
131.08607	0.7
134.03662	0.9
135.04399	1.7
137.02328	1.1
137.05956	1.5
138.03050	0.5
139.03886	85.3
139.07515	29.6
139.08621	1.2
139.11130	1.1
139.98518	0.5
140.04219	1.8
140.07959	0.8
140.11867	0.5
143.58759	0.5
144.03229	1.8
149.02325	58.0
149.05983	5.0
149.09612	2.4
150.02693	1.6
150.05434	0.6
150.06561	0.9
150.10249	8.3
151.03900	2.1
152.04688	3.3
162.04211	0.7
167.03387	100.0
167.07016	45.1
167.09296	1.6
167.10573	3.8
167.12975	2.3
167.14244	0.8
168.03752	2.4
168.06377	0.9
168.07617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.7
53.03939	2.2
55.01889	0.4
56.96560	5.6
65.03938	0.4
65.92632	1.3
67.05476	0.6
70.03490	1.6
70.03901	0.8
77.03930	0.7
80.94964	2.9
82.01456	0.7
82.99834	1.3
84.96031	1.0
91.05472	11.5
93.07030	1.1
95.04957	43.8
96.05315	0.8
97.02863	0.5
98.97591	1.8
100.02488	1.4
101.00866	22.9
102.00967	0.8
103.05441	3.6
105.04513	1.1
109.06532	2.1
115.02453	0.4
116.98634	1.2
118.03521	0.6
119.01908	100.0
119.04922	34.1
120.01968	3.5
120.05269	0.8
121.02399	0.6
121.05167	0.4
121.06506	1.9
121.97556	1.7
123.04414	69.0
124.02435	3.5
124.04860	1.3
124.93887	1.2
132.01971	0.6
134.99687	0.7
137.02942	28.8
137.05943	1.7
138.03026	0.9
142.03482	57.9
142.94936	0.8
143.00163	0.5
143.03587	2.4
147.04376	10.8
149.04622	0.9
160.04544	20.0
160.95956	1.4
161.01207	0.6
161.02905	0.9
161.04652	0.5
165.05356	3.3
166.07245	3.1
167.05733	0.6
177.00705	0.6
182.99661	0.9
183.06099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02375	0.3
51.25375	0.2
51.81009	0.2
53.03941	0.4
53.17040	0.2
55.01848	0.3
55.05501	0.3
56.05018	0.8
58.06583	0.3
62.26502	0.2
65.03920	1.9
67.05505	1.2
68.05019	1.2
69.03416	0.3
69.07039	0.2
70.06557	1.0
70.76857	0.6
71.16988	0.2
77.00613	0.7
79.05482	0.6
80.05000	0.5
81.03407	0.4
81.04523	0.9
81.07041	0.9
82.06566	0.7
83.06091	1.5
85.07657	0.6
91.05469	25.6
92.05802	0.5
93.07023	0.6
94.03239	0.2
95.04961	3.4
95.06078	0.7
95.08581	0.7
97.07647	0.8
98.07178	0.6
101.00880	0.8
103.05434	0.7
105.04527	0.2
105.07006	0.8
107.04942	0.5
107.06044	1.1
107.08611	0.3
109.02911	0.3
109.06505	0.7
109.07638	1.0
109.10124	0.6
110.05997	0.3
110.07155	0.5
111.09200	0.3
119.01942	3.0
119.04924	56.9
119.08506	1.3
120.05205	1.2
120.08088	1.8
121.06471	0.4
121.07594	0.8
121.10120	0.3
122.07137	0.9
123.04416	5.1
123.08019	0.6
124.08691	1.3
125.09463	0.6
133.02888	0.4
137.03020	1.1
137.05939	2.1
137.09602	0.8
138.05458	0.3
138.10242	0.6
142.03491	1.8
147.04387	100.0
148.03674	0.3
148.04753	2.8
148.08641	1.5
160.04570	0.7
165.01878	0.4
165.04201	0.3
165.05489	3.3
165.07713	0.4
165.09109	1.8
165.11343	2.2
165.12625	0.4
166.04953	0.6
166.08591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
51.25375	0.2
51.81009	0.2
53.03941	0.4
53.17040	0.2
55.01848	0.3
55.05501	0.3
56.05018	0.8
58.06583	0.3
62.26502	0.2
65.03920	1.9
67.05505	1.2
68.05019	1.2
69.03416	0.3
69.07039	0.2
70.06557	1.0
70.76857	0.6
71.16988	0.2
77.00613	0.7
79.05482	0.6
80.05000	0.5
81.03407	0.4
81.04523	0.9
81.07041	0.9
82.06566	0.7
83.06091	1.5
85.07657	0.6
91.05469	25.6
92.05802	0.5
93.07023	0.6
94.03239	0.2
95.04961	3.4
95.06078	0.7
95.08581	0.7
97.07647	0.8
98.07178	0.6
101.00880	0.8
103.05434	0.7
105.04527	0.2
105.07006	0.8
107.04942	0.5
107.06044	1.1
107.08611	0.3
109.02911	0.3
109.06505	0.7
109.07638	1.0
109.10124	0.6
110.05997	0.3
110.07155	0.5
111.09200	0.3
119.01942	3.0
119.04924	56.9
119.08506	1.3
120.05205	1.2
120.08088	1.8
121.06471	0.4
121.07594	0.8
121.10120	0.3
122.07137	0.9
123.04416	5.1
123.08019	0.6
124.08691	1.3
125.09463	0.6
133.02888	0.4
137.03020	1.1
137.05939	2.1
137.09602	0.8
138.05458	0.3
138.10242	0.6
142.03491	1.8
147.04387	100.0
148.03674	0.3
148.04753	2.8
148.08641	1.5
160.04570	0.7
165.01878	0.4
165.04201	0.3
165.05489	3.3
165.07713	0.4
165.09109	1.8
165.11343	2.2
165.12625	0.4
166.04953	0.6
166.08591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58438	0.2
53.03942	0.3
55.01876	0.3
56.05025	0.7
56.09290	0.2
56.11742	0.2
56.96560	2.7
57.03425	0.6
57.05359	0.4
57.74300	0.2
58.99868	0.6
60.00649	0.2
61.02911	0.3
65.92656	0.2
69.03417	0.3
70.69683	0.5
70.99863	0.3
71.95253	0.3
73.02922	0.4
74.02438	0.6
74.06068	0.2
77.00886	0.6
78.10374	0.2
80.94966	0.3
81.03406	0.3
81.07002	0.2
82.99807	1.2
83.04992	0.2
84.08123	0.2
85.02895	0.5
89.00886	0.3
91.05476	0.8
95.04961	1.6
97.02888	0.5
98.97574	0.7
100.02478	1.2
101.00868	20.2
101.02555	0.5
102.00954	0.7
102.05549	0.5
103.05898	0.4
109.02870	0.2
109.06506	0.2
115.02381	0.5
116.98598	0.2
118.03504	0.8
119.01908	100.0
119.04810	1.3
120.01981	4.2
120.08095	0.4
121.02333	0.4
121.03161	0.2
123.04417	2.6
123.05235	0.3
124.02427	3.6
125.01764	0.3
128.98549	0.2
131.01897	0.5
133.03473	0.5
137.02943	37.9
138.03050	1.6
142.03482	62.2
143.00191	0.5
143.01852	0.2
143.03629	2.5
145.03400	0.3
147.04393	0.7
149.02843	0.2
155.02066	0.2
156.04982	0.3
157.03465	0.2
160.04543	24.7
160.96045	0.3
160.97563	0.4
161.01218	0.8
161.02945	0.7
161.04640	1.2
165.05127	2.7
166.08401	0.4
166.76183	0.2
173.01161	0.2
182.99702	0.2
183.06192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59947	1.4
76.67212	0.2
82.01437	0.5
82.75414	0.2
82.99820	1.9
98.21474	0.4
98.42073	0.2
100.02462	0.9
101.00868	24.6
101.73796	0.2
102.00941	1.0
118.03519	0.7
119.01906	100.0
120.01981	4.0
121.02349	0.4
124.02419	5.4
137.02939	29.8
138.03038	1.2
139.03325	0.3
142.03481	68.4
143.03615	3.1
160.04538	23.0
160.05548	0.4
161.04611	1.0
165.05086	2.2
183.06108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.6
56.98782	0.4
65.92620	2.2
68.05024	0.5
70.47097	0.9
80.94964	2.6
82.99847	1.6
90.01785	0.5
91.05471	1.1
93.07063	0.4
95.04956	1.6
98.97578	0.7
100.02480	1.0
101.00868	26.2
102.00942	1.0
118.03485	0.8
119.01907	100.0
119.04923	1.7
120.01992	3.8
121.97567	1.9
123.04428	2.3
124.02410	3.9
124.93896	1.2
137.02942	31.5
138.03020	1.3
142.03481	65.0
142.94908	0.7
143.03629	3.2
147.00644	0.4
147.04416	1.5
160.03189	1.0
160.04541	21.4
160.96010	1.6
161.03058	0.4
161.04579	0.9
165.05171	2.2
166.07207	1.1
167.05652	0.4
183.06175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02376	0.3
53.03933	0.6
54.03453	0.4
55.01858	1.1
55.05510	0.9
55.92884	0.2
56.05030	1.4
56.96553	0.3
57.03433	0.2
57.04552	0.2
58.06582	0.4
59.06096	0.4
65.03918	2.0
67.01865	0.3
67.05497	2.5
68.05022	1.7
68.99775	0.7
69.03421	4.5
69.04537	0.4
69.07033	0.4
69.85541	1.2
70.06585	1.3
74.02343	0.2
77.03925	0.3
79.01866	0.2
79.05489	2.2
80.05023	0.9
80.92709	0.2
81.03400	0.7
81.04538	1.4
81.07047	2.6
82.06570	1.1
83.04986	0.5
83.06096	2.5
84.08148	0.2
85.02894	0.2
85.07663	0.6
91.05471	27.7
92.05804	0.8
93.07042	1.5
95.01342	0.2
95.04379	0.3
95.04959	3.1
95.06063	0.8
95.08586	1.5
97.06506	0.3
97.07638	1.0
98.07152	0.7
99.00835	0.2
101.00856	1.4
102.10138	0.2
103.05452	0.6
105.03365	0.3
105.04534	0.3
105.07022	2.5
107.04948	0.9
107.06051	1.7
107.08582	0.9
108.04501	0.3
109.02844	0.5
109.06508	2.2
109.07615	1.2
109.10155	1.1
110.07166	0.5
111.09175	0.7
117.06996	0.5
119.01926	8.4
119.04929	58.2
119.08559	3.4
119.95058	0.2
120.01984	0.2
120.05219	1.4
120.08103	3.3
121.06501	0.6
121.07604	1.1
121.10128	0.6
122.03603	0.2
122.07146	1.8
123.04424	4.8
123.05385	0.3
123.08071	2.0
123.11687	0.3
124.05063	0.3
124.08698	2.1
125.09476	0.8
133.02838	0.9
133.06409	0.4
136.07568	0.2
136.08707	0.3
137.01993	0.3
137.02963	4.9
137.05968	9.5
137.09610	1.6
137.13219	0.2
138.03035	0.2
138.05499	0.2
138.06514	0.6
138.10242	0.9
141.05481	0.4
142.03487	6.0
142.96680	0.8
143.03596	0.2
147.04391	100.0
147.08020	1.7
147.11691	0.7
148.03851	0.2
148.04761	2.6
148.07562	0.4
148.08643	2.4
150.03061	0.2
150.06744	0.2
160.04539	2.8
160.07574	0.2
165.01811	2.3
165.05463	23.5
165.07683	1.0
165.09058	3.0
165.11349	3.0
165.12732	1.4
166.04973	0.8
166.08543	1.1
170.11514	0.2
173.49792	0.2
183.02835	0.6
184.70407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.53456	0.5
51.02372	1.3
53.03942	9.3
55.01851	1.2
55.05313	0.4
55.05504	4.8
56.01052	0.5
57.07060	1.0
62.44996	0.6
67.05498	12.3
69.03373	0.6
69.07059	5.6
69.44150	4.0
72.93778	1.9
77.03901	2.0
79.05483	31.0
80.05003	0.6
80.05814	0.6
81.03403	1.7
81.07048	20.5
83.08618	3.8
89.03894	1.8
90.94824	0.7
91.05468	8.4
92.02589	4.0
93.07033	25.9
93.27194	0.6
95.04955	16.5
95.08598	19.1
96.05326	0.5
96.08890	0.6
97.10159	1.1
98.20735	0.7
102.68642	0.6
103.05441	2.4
105.03400	5.6
105.04475	4.8
105.07034	3.4
107.04937	6.3
107.08580	26.5
108.08870	0.9
109.10131	1.7
113.96378	2.0
113.97087	0.5
115.05425	0.8
117.03383	0.9
117.07013	1.6
117.87788	0.6
118.06487	1.0
119.04933	1.9
119.08562	3.4
120.02061	1.0
121.06451	1.7
121.10130	31.6
122.10478	1.1
131.04901	1.8
131.97429	2.2
133.02837	25.1
134.03143	1.8
135.04401	27.7
135.08047	1.9
135.11670	4.1
136.04750	1.7
136.07512	0.7
138.03017	0.7
145.02855	0.8
145.06442	1.3
145.10097	1.3
163.03883	100.0
163.07532	3.4
163.11147	6.7
163.14804	19.7
164.04268	6.2
164.06998	2.7
164.15260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02374	0.8
52.76995	0.5
53.03944	9.5
54.95374	0.5
55.01856	1.2
55.05506	4.5
56.96561	0.5
57.03418	0.7
57.07068	0.5
57.41248	0.4
65.03933	0.5
67.05502	4.9
68.99790	0.5
69.03417	1.0
69.07063	7.3
71.52266	0.6
77.03923	2.3
79.05486	26.5
80.04985	0.5
80.05811	0.9
81.03410	1.3
81.07049	34.9
82.07373	0.6
83.08621	4.0
89.03889	1.8
91.05474	10.1
92.02620	4.5
92.05785	0.6
93.07036	25.1
95.04958	17.5
95.08595	16.7
96.05276	1.2
97.10089	0.7
100.02488	2.2
103.05447	5.4
105.03384	4.9
105.04499	4.5
105.07012	5.9
106.06531	0.6
107.04939	6.6
107.08581	53.9
108.08897	1.6
109.06499	1.6
109.10165	1.0
115.05444	0.9
117.03346	1.5
117.07003	2.7
118.03504	1.8
119.04941	1.4
119.08588	2.2
120.02075	0.5
121.06477	2.4
121.10132	14.5
122.06049	0.6
130.06503	1.7
130.07735	0.6
131.04906	5.9
132.08066	2.1
133.02847	27.6
134.03203	2.3
135.04401	34.1
135.08002	2.9
135.11673	5.3
136.04744	2.1
136.07512	1.5
138.03079	1.5
141.90370	0.5
145.02815	1.2
145.03909	0.5
145.06456	1.0
145.10117	2.3
146.05959	0.5
147.08102	0.5
148.05244	0.5
163.03885	100.0
163.07518	4.7
163.09837	1.0
163.11153	9.4
163.12373	0.8
163.14806	29.8
164.04306	6.4
164.06987	2.6
164.15152	1.5
177.66493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01565	0.6
50.79240	0.5
51.02365	1.4
53.03939	8.3
54.04276	0.7
55.01847	1.4
55.05501	8.2
57.03410	0.8
57.07071	1.3
61.02910	4.1
62.77896	0.4
65.03922	0.8
66.90601	0.5
67.05497	20.8
69.03396	1.8
69.07059	8.0
69.84425	0.5
71.04949	0.5
71.52162	0.7
71.52543	0.7
72.73704	0.5
73.02886	1.5
77.03907	2.7
79.05484	44.9
80.05820	1.4
81.03410	1.4
81.07048	31.2
83.08616	4.4
84.08131	0.5
85.02897	3.6
89.03347	0.9
89.03904	17.7
90.04223	1.0
91.03947	0.8
91.05469	12.4
91.24599	0.5
92.02604	3.2
93.07033	44.6
94.07362	1.7
95.04377	0.8
95.04958	16.1
95.08596	27.1
96.08924	0.7
97.02902	1.1
97.10145	1.0
100.02478	1.6
103.05450	4.5
105.03395	4.4
105.04495	4.8
105.07008	6.2
106.06606	0.7
106.07294	0.6
107.04950	7.4
107.08580	41.0
108.05260	0.6
108.08163	0.5
108.08910	1.4
109.06497	1.7
109.10107	1.1
115.05418	0.8
117.03371	14.2
117.07011	2.8
118.03555	1.1
118.06562	1.3
119.04920	1.7
119.08576	3.7
120.02016	0.5
120.19955	0.5
121.06474	2.7
121.10129	47.8
122.06001	0.7
122.10409	1.1
126.53783	0.5
130.06483	1.2
130.07768	1.4
131.04901	3.4
132.08051	1.7
133.02834	22.4
134.03174	1.2
135.04399	48.3
135.08003	3.0
135.10693	0.9
135.11668	7.8
136.04771	2.5
136.07573	0.8
138.03139	0.7
143.08554	0.6
145.02838	9.7
145.03886	0.5
145.06467	1.2
145.10109	6.4
163.03882	100.0
163.07468	3.8
163.11156	14.4
163.12320	0.8
163.14804	31.8
164.04279	5.8
164.07001	2.5
164.11473	0.7
164.15190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01862	1.7
55.05504	7.1
56.05815	0.6
56.96553	2.4
57.03415	0.8
57.07058	0.7
58.99865	1.2
65.03923	1.1
66.06678	0.6
67.05494	12.0
69.03425	8.5
69.07054	6.4
71.05000	1.5
71.10165	1.5
77.00895	0.7
77.03910	1.6
79.05484	29.6
80.05807	1.0
81.03413	1.3
81.07045	21.2
81.07529	1.1
82.01428	16.4
83.08633	3.2
85.02901	1.2
89.03907	11.6
90.04165	0.6
91.05471	12.2
92.02607	2.4
93.07034	36.2
94.07353	1.0
95.04953	10.3
95.08595	18.8
97.10138	0.9
98.97555	1.4
100.02468	100.0
103.05463	1.8
105.03358	2.7
105.04509	2.6
105.07024	10.0
107.04944	7.4
107.08581	32.8
108.08900	1.2
109.06519	1.6
109.10135	1.9
115.05408	0.6
116.47001	0.6
116.98628	1.2
117.03371	9.4
117.06995	5.3
118.03507	65.4
119.01799	0.7
119.08564	6.5
120.02123	0.6
121.06490	27.8
121.10127	37.5
122.07231	1.2
122.10506	1.5
123.04041	9.7
128.02208	0.7
130.06735	0.7
130.07751	3.9
131.04941	1.6
133.02817	9.6
133.06441	0.8
135.04398	29.4
135.08043	9.2
135.11671	7.7
136.04681	3.0
136.07515	0.7
136.08441	0.6
137.05342	1.1
140.54677	0.6
141.05067	7.0
145.02840	6.9
145.03908	1.1
145.10107	14.5
145.48811	0.8
146.10405	0.8
146.48732	1.0
148.08803	2.1
148.56195	1.0
161.09497	0.7
163.03879	58.2
163.07483	2.2
163.09831	2.6
163.11153	39.5
163.14790	25.0
164.04295	3.7
164.07016	1.5
164.09312	0.8
164.11578	2.1
164.15135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02361	0.8
53.03939	8.3
55.01861	1.7
55.05237	0.8
55.05500	13.8
57.03433	0.9
57.07064	1.8
63.02356	1.0
65.03927	1.6
67.05494	25.3
69.03083	1.2
69.03419	13.6
69.07059	11.1
71.04965	2.2
71.52424	0.9
71.52789	1.0
74.81755	0.8
75.15511	0.7
77.03925	1.6
79.05482	63.5
79.50253	0.8
81.03377	0.8
81.07043	43.2
83.04962	2.0
83.08616	6.0
89.03903	25.0
90.04256	0.9
91.05468	20.3
92.02590	2.6
93.07031	62.7
94.07345	1.8
95.04379	1.3
95.04957	19.0
95.05996	0.8
95.08593	33.9
97.10146	1.8
100.02451	1.5
103.05437	2.1
105.03367	3.4
105.04507	4.0
105.07010	16.6
106.06518	1.1
106.07364	0.9
107.04944	13.1
107.08577	53.9
109.06495	2.5
109.10130	2.3
113.63358	0.8
115.05415	1.5
116.54049	0.8
117.03366	16.8
117.07001	7.3
118.03597	1.3
119.04921	1.1
119.08556	9.7
119.60474	0.8
121.06483	52.0
121.10124	68.1
122.10462	1.9
129.06981	1.5
130.07791	5.3
131.04877	2.2
133.02831	20.0
133.06435	2.6
135.04399	53.0
135.08034	17.3
135.11659	10.8
136.04733	2.7
143.08514	1.9
145.02834	12.3
145.03908	1.6
145.06488	1.6
145.10109	23.8
147.07959	0.9
148.08775	3.2
148.60739	1.0
163.03877	100.0
163.07520	3.8
163.11150	68.7
163.14803	39.6
164.04210	5.6
164.07018	2.1
164.11528	2.7
164.15121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	1.1
53.03709	0.7
53.03938	7.0
55.01872	8.7
55.05513	5.1
56.96547	1.3
57.03409	2.6
57.07059	1.1
65.03925	1.4
67.05499	10.2
69.03426	4.5
69.07063	5.8
70.77419	1.7
71.04988	1.8
77.03917	1.3
79.05488	32.7
80.05045	0.7
80.05798	0.7
81.03417	4.0
81.04504	1.2
81.07048	11.0
82.05322	1.0
83.04967	3.3
85.02869	1.2
89.03910	15.6
91.05478	25.0
92.02602	1.9
93.07038	36.6
95.04962	20.4
95.06047	2.8
95.06627	0.7
95.08604	9.8
97.07664	0.8
100.02464	3.1
103.05460	15.7
105.03386	3.4
105.04485	3.9
105.07024	22.9
106.06528	1.6
107.04946	20.6
107.06061	0.9
107.08584	37.4
108.04535	0.8
109.06484	3.3
115.05432	3.9
116.06232	0.7
117.03386	10.7
117.05750	1.1
117.07016	20.8
117.07847	1.2
118.03524	2.0
118.06573	0.9
118.07349	0.9
119.04919	2.6
119.06027	0.8
119.07793	1.3
119.08573	11.3
120.08080	0.8
121.02876	1.0
121.06500	15.3
121.07382	1.2
121.10136	15.6
121.95784	1.1
122.07158	3.0
123.07967	1.9
129.06989	1.8
130.06508	2.0
130.07776	8.1
131.04918	12.6
132.08096	1.9
133.02840	19.6
133.06401	1.0
133.10114	2.8
134.03206	0.8
135.04407	41.7
135.08063	9.2
135.11684	15.3
136.04752	1.5
136.07597	1.3
136.08656	2.4
138.03069	0.8
143.08534	1.9
145.02843	8.2
145.03906	1.1
145.06451	5.0
145.10115	29.8
146.07045	1.4
146.10471	1.3
148.08821	1.3
149.05956	0.9
163.03896	100.0
163.07520	12.9
163.09784	4.6
163.11154	63.3
163.14774	5.0
164.04440	4.2
164.06993	3.7
164.11557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.54372	0.4
53.03941	2.0
63.02370	1.0
64.50233	0.4
70.96774	1.1
70.97119	0.5
77.03908	0.6
78.86953	0.4
79.05486	9.3
89.03908	70.7
90.04240	1.2
91.05489	1.0
95.04948	2.7
103.05452	1.6
105.04497	0.8
107.04947	13.4
107.08659	0.6
117.03368	55.8
118.03703	1.5
119.04987	0.5
131.04915	2.0
135.04398	100.0
136.04739	2.8
145.02832	39.6
145.03845	1.6
146.03185	0.9
158.06053	0.5
163.03885	73.5
163.09732	1.0
164.04192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.44645	0.5
51.02361	0.9
53.03941	9.9
55.01870	6.3
55.05506	3.6
56.96553	0.6
57.03414	1.8
65.03913	0.6
67.05500	6.9
69.03406	2.0
69.07064	4.9
69.40140	3.8
71.04961	0.9
73.02905	0.6
77.03915	1.8
79.05484	22.8
80.04993	0.7
81.03401	2.1
81.07050	10.5
83.04980	1.5
83.08615	0.8
85.02874	0.6
89.03892	1.8
91.05475	12.8
92.02611	4.2
93.07033	22.5
95.04957	19.2
95.08604	7.9
96.05296	0.8
100.02436	0.9
103.05473	5.1
105.03398	5.0
105.04481	3.8
105.07014	11.0
107.04940	9.7
107.08576	22.7
109.06509	1.2
115.05437	1.8
117.03356	1.2
117.07008	10.3
118.03529	1.0
119.01772	0.7
119.04910	1.5
119.08570	6.2
121.06487	6.5
121.10129	7.8
122.07182	0.9
130.06525	0.6
130.07770	3.1
131.04907	4.9
132.08044	0.7
133.02838	26.2
133.06429	0.8
133.10104	1.1
134.03178	1.1
135.04398	30.8
135.08023	4.4
135.11673	7.9
136.04730	1.8
138.03079	1.3
143.08559	1.4
145.02798	0.9
145.06476	1.2
145.10104	12.9
163.03885	100.0
163.07515	4.7
163.11154	28.8
163.14809	6.1
164.04245	4.8
164.07071	1.6
164.11520	0.6
168.34399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.32643	0.9
50.86932	1.0
53.03941	8.4
55.01858	4.1
55.05508	5.8
55.05717	1.2
56.05029	1.3
57.03416	2.7
58.82382	0.9
61.02922	1.0
63.02367	1.4
63.92897	1.1
65.03914	3.1
67.05480	3.8
68.05018	3.0
68.99780	2.1
69.03422	15.7
69.07059	4.8
70.03263	0.9
70.12109	3.4
70.12523	1.8
71.04983	2.4
73.35564	0.9
77.03925	1.6
78.95271	1.3
79.05488	27.8
80.04996	1.4
81.03403	1.8
81.04511	3.3
81.06601	1.2
81.07053	20.7
82.05268	1.5
83.04968	4.3
83.06030	1.0
85.02908	1.5
89.03912	25.8
91.05476	25.1
92.02610	1.6
92.05811	1.1
92.51707	0.9
93.03334	1.0
93.07034	37.3
95.04962	24.1
95.06050	4.6
95.08580	2.4
96.06858	1.7
97.07645	2.1
98.79942	0.9
103.05457	21.6
105.03384	3.9
105.04496	4.9
105.06309	1.7
105.07021	33.8
107.04947	24.2
107.06091	2.5
107.08580	45.8
108.05563	4.0
108.08914	1.7
109.06483	3.8
109.07610	2.5
115.05441	4.7
117.03377	18.2
117.06995	14.9
118.03606	1.0
119.04942	2.4
119.05984	1.1
119.08573	15.5
120.05632	2.0
121.02880	1.1
121.06509	12.9
121.10134	39.3
122.07155	7.5
122.10505	1.2
123.07960	3.8
127.07143	1.1
128.06190	1.0
129.07004	2.3
130.06468	1.5
130.07780	16.2
130.08669	1.9
131.04913	22.0
132.08080	1.8
133.02844	12.8
133.06451	3.0
133.10106	3.6
134.03152	1.2
135.04402	70.2
135.08047	8.0
135.11679	24.4
136.04755	3.6
136.07635	2.0
136.08661	5.5
143.08554	3.4
145.02843	13.5
145.03874	2.0
145.06471	2.5
145.10107	57.2
146.06018	1.2
146.07108	2.7
146.10439	2.4
147.07997	2.3
148.08804	3.6
158.37070	1.0
163.03889	100.0
163.07530	13.0
163.09766	14.7
163.11137	84.5
163.14801	2.2
164.03081	1.2
164.04242	4.2
164.07054	2.8
164.11531	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01602	0.6
53.03944	2.7
53.65833	0.6
55.01878	0.8
57.03431	0.5
57.07115	0.5
57.31965	0.4
57.59224	0.4
63.02370	2.0
63.92935	1.2
68.99762	0.5
69.03411	0.6
70.71987	1.4
77.03932	0.6
78.95260	2.2
79.05486	14.4
80.05922	0.4
81.03414	0.5
81.04524	0.8
89.00141	0.5
89.03912	78.4
89.47691	0.4
90.04258	1.6
91.05483	1.4
93.07024	0.7
95.04958	5.1
95.06088	0.5
103.05468	1.5
105.03371	0.7
105.04506	1.7
105.07025	0.8
107.04945	17.4
107.08611	1.0
117.03369	58.6
118.03672	1.0
118.06522	0.8
119.04867	0.7
119.97867	1.6
120.97796	0.5
122.07137	0.7
122.94234	1.4
123.07935	0.6
130.06531	0.7
131.04958	1.4
132.08099	1.4
133.02843	1.6
135.04402	100.0
136.04739	2.1
140.95247	1.0
145.02840	40.4
145.03891	2.0
146.03255	1.1
158.96294	1.4
163.03889	84.0
163.07530	1.6
163.09778	1.3
163.11052	0.7
164.04239	2.0
164.07019	0.6
172.36075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0546
Annotation	Jineol
Peak:m/z	Relative Intensity
51.02353	0.4
53.03939	2.9
54.03445	0.6
55.01873	0.6
56.05023	1.5
56.96552	0.7
58.06581	0.9
59.06111	0.9
60.04512	1.8
61.92853	0.5
65.03941	3.7
67.05518	0.5
68.05027	0.9
69.03432	0.8
70.02999	0.9
70.03374	1.9
70.06565	0.8
72.04489	0.8
74.06075	1.5
77.03931	0.5
78.53203	0.4
79.05484	11.1
80.05007	1.2
81.03394	0.6
81.04529	0.6
83.06069	0.6
84.04498	1.8
85.02892	0.6
86.06053	0.7
88.07613	2.4
89.03907	17.2
91.05471	4.1
92.04993	1.5
92.05848	0.5
93.03387	1.7
93.07031	1.0
95.04974	3.4
95.06087	0.5
96.04458	0.5
97.02880	1.0
97.07623	0.8
98.06033	0.7
99.28354	0.4
102.04685	0.8
102.05533	1.9
102.96847	0.8
103.05453	1.1
104.05014	0.5
105.03366	1.5
105.04480	0.8
105.05776	0.8
105.07021	1.5
106.06543	22.8
107.04945	11.6
107.06076	0.9
107.06836	0.5
107.08583	0.4
109.07608	0.6
111.04441	3.5
115.05447	0.6
116.04967	14.1
116.05653	0.5
116.07120	0.5
117.03364	11.7
117.05700	1.6
117.07072	2.1
118.06512	1.4
118.07338	2.5
119.04947	2.1
119.06099	0.8
119.08574	0.6
120.02050	0.7
120.04448	3.4
120.08099	5.7
120.08920	0.8
120.96497	1.6
120.97887	1.2
121.06509	1.0
121.07498	0.6
122.07140	0.9
123.07920	0.5
130.04112	1.4
131.04868	1.1
132.08105	0.9
133.02852	3.3
133.05203	2.7
133.07649	0.6
134.05998	91.4
135.04401	26.7
135.06305	2.2
135.08015	0.9
135.09077	0.7
136.08669	1.3
138.98955	0.8
139.01778	1.1
144.04433	16.5
144.05457	0.9
144.06587	1.2
144.08047	1.0
145.02847	8.0
145.03871	0.6
145.04939	0.8
145.06401	0.8
145.08395	2.3
145.09715	1.4
146.05974	0.9
147.04369	3.2
156.96170	1.0
162.05484	100.0
162.09023	5.3
163.03882	29.8
163.05997	2.2
163.07518	1.3
163.09737	1.4
163.11060	0.9
170.48868	0.4
174.97232	0.4
181.02832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39586	0.4
53.03941	3.1
54.03474	0.5
55.01862	0.9
55.05496	0.7
56.05040	0.4
58.21639	0.3
63.02382	1.4
65.03925	0.4
65.19863	0.3
67.05507	0.6
68.00042	0.3
68.05025	0.9
68.99757	0.4
69.03425	1.2
69.07061	0.9
70.08478	0.3
70.81301	0.8
70.81670	0.7
77.03928	0.9
78.95284	0.3
79.05486	11.2
80.05022	0.5
80.36909	0.4
81.03413	1.1
81.04542	1.2
81.07070	0.6
82.05300	0.7
83.06073	0.8
83.79528	0.3
84.08134	0.4
85.02888	0.7
89.03908	49.4
90.04248	0.7
91.05476	4.2
91.06041	0.5
92.02615	0.7
93.04524	0.4
93.07034	2.1
95.04961	5.2
95.06081	1.6
96.06841	0.7
97.07690	0.7
103.05459	6.0
105.03407	0.9
105.04516	1.5
105.07019	2.5
106.06548	0.8
107.04944	15.5
107.06094	0.9
107.08580	3.9
107.71683	0.4
108.05586	1.2
109.07601	0.7
115.05434	0.8
117.03368	37.1
117.07011	2.0
118.03701	1.1
119.04924	1.1
119.06091	0.6
119.08580	1.0
120.02126	0.4
120.05570	0.8
121.02864	0.4
121.06519	1.6
121.10146	2.4
121.40227	0.3
122.03633	1.1
122.07128	3.5
123.07944	1.7
125.21447	0.4
130.06526	1.2
131.04916	6.7
132.02109	1.1
132.08069	1.2
133.02829	5.2
135.04398	83.0
135.07970	2.3
135.11678	1.3
136.04771	2.7
136.05672	0.4
136.07658	0.6
136.08647	2.5
137.07097	0.3
142.03671	0.4
145.02832	27.7
145.03899	1.8
145.06453	1.5
145.10104	1.3
146.07094	1.2
150.03128	0.6
158.06082	0.4
163.03882	100.0
163.07520	4.7
163.09764	4.8
163.11165	4.1
163.12328	0.8
163.14722	0.7
164.04359	2.5
164.07039	0.7
181.02838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02387	0.5
52.53730	0.3
53.03942	2.4
55.01870	4.5
55.05502	1.3
56.05017	0.4
58.01221	0.3
63.02402	0.3
63.97841	0.3
65.03943	0.8
66.03444	0.3
66.04730	1.6
67.05492	1.0
67.79512	0.3
69.03426	1.5
69.07050	0.6
69.08187	0.3
71.05757	0.7
77.03937	0.9
78.93130	0.5
79.05486	17.2
79.12670	0.3
81.03421	0.4
81.07050	2.4
84.08135	0.5
89.03921	0.9
90.04694	2.9
91.05476	8.1
92.02626	0.8
93.04509	0.5
93.07057	1.5
95.04981	3.6
95.08632	0.5
96.94146	0.5
102.04665	0.7
103.05460	22.0
103.69473	0.3
104.05737	0.4
105.04528	1.3
105.07023	100.0
106.06713	0.4
106.07357	2.3
107.04957	0.9
107.08617	0.4
108.05715	0.3
113.02352	0.7
115.05447	24.5
116.05746	0.5
117.07019	1.5
118.04154	17.0
118.06539	0.5
119.06833	0.5
119.08570	11.4
120.05591	0.7
120.08113	0.5
121.06372	2.0
128.06203	1.2
131.04922	4.3
131.08549	1.5
132.05682	1.1
132.67523	0.3
133.06480	42.8
133.10107	9.1
134.05991	0.6
134.06984	2.0
136.17168	0.3
137.97025	0.4
143.03297	0.3
143.04973	0.5
143.06023	4.1
143.08528	1.8
146.03609	2.6
146.07256	1.4
146.10838	0.6
147.04419	0.6
161.05968	11.3
161.08200	1.6
161.09608	9.9
161.13251	9.5
162.05467	1.1
162.06691	0.4
162.08939	0.4
162.10168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02359	0.6
53.03936	2.4
55.01870	4.2
55.05507	0.6
63.02362	0.5
63.42152	0.3
63.64373	0.2
65.03918	0.6
66.04723	1.5
67.05491	0.3
69.03418	0.3
69.07066	0.4
69.36459	1.2
69.36879	1.3
77.03915	0.6
78.04706	0.3
78.93114	0.4
79.05486	18.4
80.05825	0.4
81.03417	0.3
81.07041	1.2
82.37872	0.3
89.03915	0.9
90.04691	3.5
91.04908	0.3
91.05471	6.6
92.02624	0.8
93.07029	0.9
94.04198	0.3
95.04958	4.4
101.95010	0.4
102.04687	0.6
103.05456	24.0
105.07020	100.0
106.06721	0.4
106.07342	2.3
107.04948	1.3
113.02402	0.3
115.05441	28.2
116.05782	0.9
117.07006	0.8
118.04150	19.3
118.06484	1.4
119.04436	0.3
119.08566	7.6
121.06467	0.7
121.10134	0.4
128.06180	0.8
131.04916	4.6
131.08562	0.5
132.05725	1.6
133.06476	46.9
133.10107	4.3
134.06824	1.4
143.04968	0.5
143.06032	4.3
143.08568	1.2
146.03630	0.8
146.07254	1.5
149.05995	0.4
161.05960	9.7
161.07072	0.4
161.09599	7.3
161.13239	5.4
162.05368	0.5
166.52048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01618	0.3
51.02365	0.7
53.03939	1.8
55.01870	4.3
55.05500	1.0
56.96548	0.6
60.12680	0.3
65.03941	0.7
66.04709	1.6
67.05499	1.7
69.03413	0.8
69.07065	1.2
70.06570	0.3
70.65868	0.8
70.66262	0.6
74.06086	0.3
77.03906	0.6
78.93121	0.5
79.05488	20.1
81.03407	0.4
81.07066	2.9
84.08130	0.6
85.02893	0.4
88.92645	0.3
89.03913	1.0
90.04696	3.5
91.05474	8.4
92.02608	0.7
93.04501	0.8
93.07039	2.2
94.04189	0.3
95.04963	4.4
95.08585	1.0
102.04658	0.9
103.05460	22.8
104.05759	0.6
105.04606	1.4
105.07023	100.0
106.06651	0.4
106.07350	2.8
107.04992	1.3
107.06043	0.4
107.08562	0.6
113.02370	0.8
115.05445	24.9
116.05808	0.7
117.07047	1.5
118.04150	18.7
118.06526	0.8
119.08573	13.3
119.95725	0.4
120.05595	0.8
120.08102	0.4
121.06382	2.0
128.06229	1.2
131.04926	4.9
131.08563	1.3
132.05724	1.3
132.96356	0.5
133.06479	40.6
133.10114	10.1
134.05972	0.7
134.06995	1.6
143.04941	0.6
143.06023	4.3
143.08530	1.8
145.10118	0.4
146.03564	1.5
146.07266	0.9
146.10910	0.5
147.04408	0.3
150.97420	0.7
159.11647	0.4
161.05975	12.1
161.08194	1.2
161.09613	7.8
161.10976	0.5
161.13248	11.1
162.05515	0.9
162.10249	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01856	2.9
55.05503	8.0
56.05030	6.6
56.96562	2.8
57.03429	24.7
58.06593	3.7
59.06116	4.1
60.04515	1.7
61.43060	1.8
65.03927	2.2
65.87329	1.9
67.05493	5.1
69.03433	2.7
69.07058	16.1
69.94649	1.6
70.06586	26.4
70.12641	1.5
71.04982	6.9
71.27797	3.6
72.08140	2.5
75.04472	5.1
77.93377	2.3
78.93131	2.5
79.05489	14.8
81.07051	20.9
82.13313	1.5
84.08134	7.0
85.06531	7.0
86.08481	1.9
86.09698	37.2
91.05468	19.5
93.04533	3.2
93.07058	4.1
95.04938	3.4
95.08662	2.0
96.08098	2.0
96.94167	2.2
97.06521	4.4
98.09677	29.4
99.07494	3.5
99.08089	44.8
100.07600	3.4
101.95015	3.3
102.09166	2.8
103.05447	8.8
105.03394	5.7
105.07025	100.0
106.07345	2.2
112.05066	2.6
112.11287	2.5
113.02395	2.9
114.05499	3.5
114.09161	6.2
115.05458	19.3
116.10725	38.2
117.05748	7.5
117.07019	6.8
118.04150	7.2
118.06542	58.5
118.07295	2.9
118.96740	8.7
119.06084	1.7
119.06895	3.0
119.07721	2.2
119.08562	32.4
119.95740	2.5
120.05581	4.7
121.06425	4.7
122.88084	1.9
124.11272	4.2
127.56149	1.8
128.06178	1.9
130.06503	4.5
130.07338	2.9
131.04970	2.5
131.07306	6.3
131.08592	3.9
132.04453	2.3
132.05637	1.7
132.08075	20.6
132.08951	5.4
133.06479	30.5
133.10120	20.7
134.07195	3.4
137.96902	3.1
142.02182	2.2
142.06554	2.5
142.12274	9.8
143.08566	4.8
145.09749	2.9
146.03632	7.8
146.07240	3.9
154.59154	2.1
154.96581	2.1
160.05101	2.2
160.07484	18.0
160.12024	17.8
160.13342	17.8
161.05971	35.5
161.07040	1.8
161.08199	4.6
161.09619	27.6
161.10791	2.7
161.13246	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.9
57.99046	0.3
70.76061	0.4
70.76405	0.6
74.37684	0.3
79.81198	0.3
82.99839	0.9
93.51905	0.3
98.97568	1.4
100.02486	0.7
100.97184	0.5
100.97993	0.4
101.00867	15.8
101.95047	1.4
101.97189	0.3
102.00966	1.2
102.96849	1.7
105.06995	0.3
113.33101	0.2
115.97041	0.8
116.98621	1.2
118.03503	0.7
118.37000	0.2
119.01911	100.0
119.96062	0.7
119.98257	0.3
120.01986	6.9
120.97896	1.9
121.01651	0.7
121.02389	0.5
124.97536	2.5
127.47834	0.9
129.26749	0.3
133.03409	0.3
133.98080	8.1
134.99612	0.6
136.48344	4.7
137.02945	41.6
137.97144	0.4
138.03036	3.0
138.98911	1.6
142.03471	2.5
142.98642	0.7
143.01901	0.4
143.03636	2.4
144.03235	0.8
145.48875	14.3
146.48892	0.7
147.99142	0.6
154.49391	2.3
156.99725	0.9
157.03464	0.6
160.04575	1.1
161.02963	3.0
161.04756	2.3
162.04280	0.6
179.03981	6.1
179.05478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40537	0.1
55.01871	0.3
56.05026	0.6
56.96561	2.2
57.93563	0.2
58.06588	0.3
58.99862	0.5
59.06118	2.2
59.31960	0.2
59.93103	1.9
60.00652	0.2
60.04520	1.0
66.87186	0.2
68.38643	0.2
69.03414	0.4
70.06568	0.3
71.33766	0.3
71.95255	0.6
72.04500	0.4
72.08158	0.4
74.06063	0.2
75.05589	0.5
76.93344	0.3
77.00907	0.2
77.94127	0.9
79.05479	0.3
81.03406	0.3
82.01456	0.3
82.02880	0.2
82.99783	1.0
83.06087	0.4
83.08555	0.2
84.04491	0.6
85.02878	0.2
85.07658	0.5
86.06057	0.5
91.05468	0.2
95.06116	0.3
95.95175	0.8
97.02874	0.3
97.07635	0.3
98.97570	1.4
99.05566	0.6
99.09162	0.2
99.97919	0.7
100.02469	1.4
100.07567	0.2
100.95717	0.3
100.97160	0.6
100.97947	0.2
101.00860	12.3
101.07116	0.9
101.95022	2.8
102.00941	0.3
102.02232	0.3
102.05505	0.4
102.73987	0.2
103.00600	0.3
105.07011	0.6
113.02332	0.3
113.07127	0.4
114.05495	0.4
114.09158	0.2
115.05400	0.2
116.98615	1.4
117.98178	0.2
117.98927	0.9
118.01686	0.4
118.03505	8.4
118.06516	2.3
118.96760	6.7
118.98096	0.9
119.01905	100.0
119.96066	1.4
120.02032	2.2
120.03238	1.3
121.01637	2.5
121.02354	0.3
124.02426	2.1
125.07094	0.3
132.08069	0.7
132.96674	0.2
133.03468	0.3
133.06439	0.3
133.10075	0.2
133.99045	0.5
134.01225	0.4
134.02977	0.4
134.07083	0.2
134.99638	1.7
135.99988	1.2
136.00967	0.2
136.02756	4.3
136.04520	9.2
136.95364	0.4
136.99225	0.8
137.02942	53.7
137.97055	1.5
137.99838	0.3
138.03026	1.2
138.04292	0.8
139.02647	1.3
139.03610	0.2
139.52664	0.2
141.05063	0.4
142.03479	43.5
143.01941	0.3
143.03723	1.9
143.08138	0.8
144.03107	0.2
147.04945	0.2
150.95699	1.0
153.00731	0.5
154.01073	0.3
154.03714	1.2
154.59081	0.7
154.96449	2.8
155.98161	1.0
156.00894	0.3
159.01611	0.2
159.06105	0.4
160.04538	51.9
160.98701	0.2
161.02892	1.4
161.04280	1.9
161.04527	1.9
161.06097	0.4
161.09525	0.7
161.13187	0.2
165.05099	2.0
170.64883	0.2
172.97523	0.6
177.98085	0.3
178.05586	22.1
179.03960	3.1
179.05399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.03400	0.5
58.21517	0.5
61.93182	0.5
65.03956	0.4
67.05476	2.2
71.13958	0.9
74.78945	0.5
76.93344	3.0
91.05471	8.0
94.94370	0.8
103.05440	0.9
105.07017	17.1
113.02364	1.7
115.05453	3.0
116.06212	1.8
117.06999	16.9
117.95967	2.3
118.06502	1.2
118.07294	0.5
118.96686	0.5
119.08561	11.4
128.06183	1.9
129.06979	16.3
130.07764	6.3
131.08546	29.6
132.08015	1.0
132.08923	0.9
135.96979	2.1
141.01804	4.7
142.07828	1.1
143.08496	1.8
144.05733	0.9
144.09334	30.2
145.06511	0.5
145.09689	1.1
157.10100	4.2
159.08139	3.7
159.11668	100.0
160.07559	0.9
160.12004	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13928	0.4
65.03909	0.7
67.05497	2.9
69.33357	3.5
76.93349	1.1
79.05485	1.5
81.07034	1.4
91.05477	11.2
93.07032	0.7
98.21461	0.9
103.05450	1.0
105.07024	27.7
113.02349	0.7
115.05431	3.4
116.06236	1.5
117.07008	28.8
117.95985	1.1
119.08579	8.9
128.06207	1.8
129.06993	12.9
130.07796	9.6
131.08559	55.9
132.08054	0.6
132.08916	2.8
141.01813	1.9
142.07787	2.2
143.08546	2.1
144.09332	24.2
145.09715	1.1
157.10123	6.4
159.11679	100.0
160.12048	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05518	0.7
56.13901	0.4
56.96574	0.6
63.02382	0.4
64.79611	0.3
65.03942	0.6
67.05504	3.0
67.89790	0.4
69.03402	0.4
76.93373	2.5
79.05489	1.9
81.07056	1.5
83.40549	0.3
91.05473	17.9
93.07050	0.7
93.69629	0.3
94.94427	0.6
95.04976	0.4
98.20702	0.7
103.05453	1.4
105.07023	22.5
106.07327	0.8
113.02383	0.7
115.05448	5.6
116.06270	2.1
117.07011	34.9
117.95971	2.1
118.06549	0.7
118.07333	1.3
119.08580	10.2
128.06221	1.4
129.07001	19.7
130.07780	21.6
131.08559	83.8
132.08884	3.1
133.27895	0.4
135.97005	1.4
141.01843	1.8
141.06984	0.4
142.07753	2.1
143.08505	1.8
144.05737	0.5
144.09331	24.3
145.09727	0.6
157.10115	5.3
159.08167	2.3
159.11681	100.0
160.12012	5.0
170.61734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90664	0.4
57.03436	45.6
57.07072	100.0
58.07414	1.2
59.04998	1.3
61.02925	5.4
63.79529	0.4
68.13702	0.5
69.03412	0.5
85.06540	40.9
86.06895	1.3
87.04470	1.9
91.05445	0.7
98.97570	0.7
100.87092	0.4
103.07579	24.9
104.07926	0.6
116.98581	0.8
117.95996	0.5
126.28468	0.4
129.06985	0.6
131.08586	1.3
132.08121	0.8
144.09332	0.7
159.10178	18.8
159.11678	2.8
160.07640	1.1
160.10591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03945	0.5
56.96558	0.5
57.59813	0.5
59.93092	0.4
67.05505	1.8
70.06601	0.6
71.06873	0.4
71.13924	0.9
72.04485	0.4
75.78127	0.4
76.93359	4.7
79.05470	0.9
81.07013	0.7
91.05467	8.5
94.94392	1.4
99.04427	0.7
103.05433	1.0
105.07021	20.7
106.07376	1.1
113.02361	1.3
114.09170	0.4
115.05423	3.2
116.06210	1.4
117.07005	19.1
117.95975	3.9
118.06509	1.5
118.07310	0.7
118.96785	0.5
119.08569	12.8
128.06175	2.1
129.06996	14.8
130.06784	0.4
130.07791	5.4
131.04872	0.5
131.08554	35.4
132.08023	0.7
132.08917	1.3
135.97005	3.2
141.01807	4.2
142.07753	1.8
143.08537	1.5
144.05681	0.6
144.09332	29.7
145.09715	1.4
157.10117	5.0
158.98601	0.7
159.08127	3.1
159.11674	100.0
160.07516	0.5
160.12012	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	159.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01881	0.7
55.05504	1.3
56.05032	2.9
56.96560	2.8
57.03014	0.7
57.03430	42.5
57.07067	100.0
58.02953	0.6
58.03776	0.5
58.06599	1.3
58.07401	1.9
59.04992	1.0
59.06116	4.3
59.06927	0.5
59.93103	2.2
60.04512	1.1
60.26674	0.5
61.02922	5.6
62.49686	0.4
67.05486	1.2
68.05023	0.7
69.03416	1.0
69.07050	0.6
69.58843	2.9
70.06585	2.8
71.01342	0.5
71.05002	1.4
71.06111	0.9
71.06916	0.9
71.95274	0.5
72.04514	2.0
72.08154	1.9
73.02929	0.6
74.06070	1.3
75.04485	0.6
75.05598	0.6
76.03993	1.0
76.93360	7.5
77.10758	0.5
81.03416	0.5
81.07042	1.5
82.06577	0.6
83.06105	0.8
84.04481	2.7
84.05620	0.6
84.08117	0.7
85.02893	1.4
85.06532	36.9
85.07656	1.7
86.02384	0.6
86.06059	0.8
86.06871	0.7
86.08448	0.8
87.00809	0.7
87.04459	1.2
91.05470	5.3
92.56704	0.5
94.94389	2.5
95.04945	0.9
95.06097	1.4
95.08620	2.2
96.04507	1.1
98.06057	0.7
98.97579	3.2
99.04459	1.2
99.05587	2.4
99.08087	0.8
100.03984	1.2
100.07615	0.8
101.02382	0.6
101.07169	0.9
102.05520	1.1
103.05460	2.1
103.07568	25.2
105.07000	3.7
111.05577	0.5
112.05058	0.8
112.95473	0.7
113.02353	3.0
113.05931	0.8
113.07128	2.4
113.07884	0.5
114.05519	1.0
115.05445	1.8
116.06261	1.3
116.98602	4.7
117.01842	1.1
117.05768	1.8
117.07058	5.2
117.95968	5.7
118.06519	10.4
118.96755	3.9
119.08607	1.1
121.08630	1.0
122.10645	0.5
125.07134	0.5
129.07002	2.2
130.06529	2.0
130.07829	0.8
131.04938	2.3
131.06932	1.4
131.08549	8.7
132.04475	0.7
132.08063	5.4
132.08864	0.5
134.99664	5.7
135.97006	5.1
141.01794	9.2
141.02759	0.7
141.06662	1.1
142.04997	0.5
142.08676	0.6
144.05725	1.2
144.09317	2.9
145.19632	0.5
150.95790	0.8
153.00734	1.3
153.96786	0.7
154.96474	1.6
158.98616	0.8
159.04408	1.3
159.06720	0.7
159.08182	5.1
159.10175	22.5
159.11708	14.7
160.06204	0.7
160.07527	4.5
160.10567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78689	0.3
54.98627	0.4
56.01710	0.2
56.96560	19.3
57.93559	0.7
57.97314	0.4
58.06593	0.2
69.03439	0.3
70.06584	3.2
70.98141	0.4
71.04975	0.4
71.22389	0.3
71.22750	0.5
71.67050	0.3
71.95254	2.7
72.04505	0.3
74.97600	0.4
75.94617	0.5
81.03441	0.4
83.06124	0.3
84.08145	0.4
97.02865	0.4
97.99166	0.3
98.06038	0.5
98.97574	100.0
99.05502	0.4
99.97929	1.0
101.00856	0.5
102.09149	0.3
111.41096	0.3
112.07604	0.8
112.08729	0.7
113.01807	0.2
116.00227	0.4
116.01912	0.4
116.07075	0.6
116.97236	3.2
116.98608	83.7
117.04008	0.4
117.98986	0.8
118.03523	0.3
119.01861	1.6
121.01646	0.5
126.00757	0.4
127.01511	0.7
128.02370	0.4
130.06522	2.0
131.01903	0.4
134.01294	0.3
134.02937	1.4
134.99643	43.5
137.02974	0.4
140.00189	2.2
152.96906	1.1
153.00693	6.8
158.01234	2.4
158.05988	1.3
158.08078	0.6
158.09360	1.5
158.15404	0.8
158.99559	0.5
176.02309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.82579	0.5
56.05022	0.9
56.96553	1.0
59.06126	1.1
60.04504	0.5
70.06588	0.5
70.88586	1.1
70.88923	0.6
72.04482	0.6
74.06068	0.4
78.94193	0.5
84.04481	0.6
91.05469	0.8
93.05787	0.7
95.06069	0.9
98.97583	3.9
103.05451	0.6
105.07014	1.7
113.07108	0.6
115.05439	29.5
116.04948	1.4
116.05700	0.6
116.98588	3.0
117.05746	16.6
117.06551	1.1
118.06551	4.7
118.96751	1.0
130.06512	27.3
131.06761	2.7
132.08073	100.0
133.08406	2.2
134.99643	1.7
140.04961	0.8
141.01811	0.9
142.06503	48.5
143.07118	1.0
158.08397	1.4
159.09157	85.3
160.06244	1.1
160.07567	16.5
160.09509	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	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.03465	0.6
54.98652	0.7
55.01866	1.1
55.05523	1.7
56.05030	6.5
56.05248	0.5
56.96561	40.2
57.03443	1.9
57.04567	0.7
57.07081	1.1
57.16312	0.5
57.93574	1.1
58.02973	1.0
58.06608	1.6
59.06119	5.0
59.93112	3.0
60.04519	4.2
60.95847	1.1
62.37379	0.5
67.01842	0.5
67.05505	2.5
68.05043	3.0
69.03426	1.7
69.04560	0.6
69.07069	1.7
70.06587	8.1
71.01359	1.1
71.04996	2.3
71.06110	1.5
71.06920	5.3
71.51411	0.6
71.51823	0.7
71.95262	6.3
72.04502	3.6
72.06889	0.7
72.08151	3.9
73.02930	0.7
74.06087	0.9
74.97613	0.6
75.05608	1.0
76.04018	1.7
76.93367	4.3
77.94133	1.3
79.05486	1.5
81.03423	1.8
81.04531	0.7
81.07050	1.1
82.02934	1.0
82.06572	1.2
83.04986	1.9
83.06111	2.3
84.04505	5.5
84.08134	3.2
84.96038	1.5
85.02911	2.1
85.04034	1.0
85.06548	0.7
85.07684	1.9
86.02406	0.8
86.06083	2.1
86.09701	2.1
87.05586	1.7
88.04000	0.8
88.07620	3.4
91.05454	2.9
92.05713	0.5
94.94402	1.2
95.04945	1.9
95.06079	3.9
95.95189	0.7
96.04468	2.7
96.08118	1.0
97.02906	1.1
97.06548	0.7
97.07648	1.2
98.06066	1.4
98.97572	59.3
99.04443	1.5
99.05571	4.6
99.97321	0.6
99.97908	3.6
100.03949	2.8
100.07632	1.0
101.02413	0.9
101.07148	0.9
102.05525	2.2
103.05468	1.2
104.01310	0.6
104.04986	0.7
105.07025	15.0
111.04456	0.6
111.05550	1.5
112.07632	1.0
113.02400	3.2
113.05962	2.1
113.07124	5.1
113.07939	2.9
114.05512	2.7
114.09180	1.6
115.05448	27.1
116.00241	1.2
116.05757	0.8
116.07053	0.9
116.10767	0.6
116.98611	76.0
117.01861	1.1
117.05772	17.2
117.06557	1.3
117.07024	0.7
117.96012	2.8
117.97573	0.7
117.98933	4.4
118.05012	0.6
118.06537	7.9
118.96767	7.4
118.98137	0.6
118.98998	0.8
119.01894	2.6
119.07316	45.8
120.07648	0.9
123.04372	1.1
123.05591	0.9
124.03977	0.7
124.06285	0.5
127.03909	0.5
129.07001	1.2
130.06499	2.6
131.04906	2.4
131.07350	1.1
131.08536	4.7
132.08080	54.6
133.08461	1.4
133.99060	0.7
134.01236	0.7
134.99646	100.0
135.97037	3.5
135.99031	0.8
135.99980	5.9
136.99179	1.0
137.03014	1.3
140.00227	2.9
141.00722	0.9
141.01796	9.6
141.06551	3.2
141.10175	1.3
142.03464	1.5
142.04951	1.1
142.06509	21.3
142.08621	0.9
142.12279	0.8
143.07193	0.7
144.09311	1.8
146.99641	0.7
149.01143	0.5
150.95740	1.1
153.00696	23.7
153.96672	2.5
154.01027	1.3
154.59038	0.9
154.96484	3.2
155.01163	0.6
158.01251	7.2
158.99557	1.0
159.04417	1.0
159.07741	5.2
159.09142	52.1
159.11507	7.0
160.04489	1.0
160.07593	3.2
160.09540	1.9
176.02278	1.2
177.00653	1.6
178.05490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0419
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
69.44377	9.5
70.55304	1.1
71.35667	1.2
74.09708	19.7
83.06079	4.0
93.04512	3.8
95.06078	2.9
96.96893	3.0
110.07155	37.3
111.07485	1.0
112.05237	1.6
130.06296	23.1
132.01999	1.8
156.04198	100.0
156.07668	2.2
174.09418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	16.0
57.97341	0.4
62.36772	0.4
70.76038	0.7
70.76416	0.6
71.95255	3.3
94.25042	0.4
98.97569	100.0
99.97852	0.4
100.02415	0.4
116.01932	0.4
116.98605	72.8
118.03485	0.6
119.01900	2.1
119.54848	0.4
129.29846	0.4
132.96432	0.9
134.02959	1.7
134.99638	34.1
135.50243	0.3
137.02977	0.4
140.00203	2.0
141.96957	1.6
153.00682	3.9
158.01215	1.9
176.02332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78689	0.3
54.98627	0.4
56.01710	0.2
56.96560	19.3
57.93559	0.7
57.97314	0.4
58.06593	0.2
69.03439	0.3
70.06584	3.2
70.98141	0.4
71.04975	0.4
71.22389	0.3
71.22750	0.5
71.67050	0.3
71.95254	2.7
72.04505	0.3
74.97600	0.4
75.94617	0.5
81.03441	0.4
83.06124	0.3
84.08145	0.4
97.02865	0.4
97.99166	0.3
98.06038	0.5
98.97574	100.0
99.05502	0.4
99.97929	1.0
101.00856	0.5
102.09149	0.3
111.41096	0.3
112.07604	0.8
112.08729	0.7
113.01807	0.2
116.00227	0.4
116.01912	0.4
116.07075	0.6
116.97236	3.2
116.98608	83.7
117.04008	0.4
117.98986	0.8
118.03523	0.3
119.01861	1.6
121.01646	0.5
126.00757	0.4
127.01511	0.7
128.02370	0.4
130.06522	2.0
131.01903	0.4
134.01294	0.3
134.02937	1.4
134.99643	43.5
137.02974	0.4
140.00189	2.2
152.96906	1.1
153.00693	6.8
158.01234	2.4
158.05988	1.3
158.08078	0.6
158.09360	1.5
158.15404	0.8
158.99559	0.5
176.02309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.80751	0.2
54.03465	0.6
55.01861	0.8
55.05507	6.0
55.93511	0.3
56.05027	1.4
56.96544	0.9
57.03433	0.5
57.04549	0.3
57.06840	0.3
57.07072	4.4
58.06586	0.7
59.06110	0.6
60.04509	0.3
65.03934	1.7
66.04253	0.5
67.01837	0.3
67.05492	3.5
68.05022	2.2
68.96314	1.1
68.99765	0.6
69.03416	1.6
69.04541	0.9
69.07055	1.0
69.96162	0.5
70.02935	0.5
70.06586	2.0
70.94248	0.8
71.01310	0.3
71.04976	1.0
71.06094	0.5
71.52526	0.4
71.52946	0.3
71.94095	1.6
71.95240	0.4
72.04498	0.7
72.08130	0.9
72.93782	29.6
73.02905	0.3
79.05482	2.4
80.05012	1.3
81.03400	1.2
81.04514	0.9
81.05799	0.3
81.07049	10.1
82.06565	2.2
82.07363	0.4
83.04976	2.9
83.06108	1.3
83.07367	0.3
83.08614	1.4
84.04509	1.4
84.08116	1.1
85.02895	0.8
85.03994	0.3
85.06536	1.5
85.07635	0.2
86.06056	0.3
86.97349	0.6
87.04440	0.4
90.94816	12.0
91.05463	1.2
93.03381	0.3
93.04515	0.3
93.05765	0.6
93.07018	0.3
94.06026	0.2
94.06557	1.4
94.07341	0.4
95.04968	3.7
95.06071	2.6
95.08609	1.7
96.04469	1.2
96.05247	0.4
96.05646	0.3
96.08123	1.3
97.03975	0.3
97.05276	3.4
97.06495	0.7
97.07633	0.9
98.04763	0.5
98.06056	3.5
98.07164	0.3
98.09678	1.9
98.98465	0.6
99.04459	1.2
99.05564	0.8
99.09187	0.5
108.04461	1.0
108.08121	3.9
108.08829	0.4
108.95856	3.7
109.02835	1.3
109.06508	7.2
109.07626	3.8
109.10139	1.9
109.98920	0.3
110.06034	4.9
110.06831	0.4
110.07159	0.4
111.04438	4.2
111.05556	0.8
111.06821	3.6
111.08051	0.4
111.09183	2.7
112.04009	0.3
112.04661	1.2
112.07599	0.6
112.08723	2.2
112.96683	0.3
113.05984	1.4
113.07111	1.1
113.08237	0.4
113.96387	14.6
114.06603	0.3
114.07875	0.3
119.08585	0.5
123.04400	0.8
124.07667	0.4
124.08714	0.4
125.08356	0.7
126.05505	1.0
126.06327	0.6
126.09150	4.5
126.10028	0.6
127.03912	2.4
127.04957	0.5
127.07532	0.9
127.08587	0.5
128.08252	0.3
129.05473	0.3
130.96291	0.9
130.97792	0.4
131.97424	18.9
136.03951	0.6
136.04958	0.5
136.07547	1.8
136.08653	1.4
137.02333	0.6
137.05934	1.5
137.07082	1.1
137.08009	0.3
137.09665	0.5
137.10736	0.6
138.01854	0.3
138.05486	0.9
138.06535	0.5
139.03902	0.5
139.06267	4.7
140.04663	1.0
148.97356	3.6
149.97197	1.8
149.98422	0.5
152.07137	0.6
154.05070	3.4
154.08612	100.0
154.09633	3.7
154.13354	1.0
154.99022	2.0
155.03391	2.8
155.07060	4.0
155.08986	3.2
155.10385	0.5
155.12927	0.7
169.40846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0338
Annotation	neopatulin
Peak:m/z	Relative Intensity
53.03939	1.4
55.01863	1.1
55.05512	2.0
55.93517	0.6
56.05031	0.3
56.96558	0.3
57.03421	0.7
57.04533	0.2
57.07071	5.5
58.06585	0.2
58.60667	0.2
59.06111	0.5
60.04522	0.3
65.03931	1.7
67.01859	1.4
67.05504	3.5
68.05012	0.4
68.99783	9.4
69.03423	2.1
69.04554	0.3
69.07052	0.6
69.96187	0.2
70.06589	0.5
70.83585	0.3
70.83923	0.4
70.95861	5.4
71.01350	1.7
71.04984	1.1
71.06110	0.2
71.94092	0.2
72.04519	0.4
72.08137	0.5
72.93783	32.4
73.02900	0.3
74.04823	0.3
79.05496	1.0
81.03408	8.6
81.04470	0.3
81.07048	2.3
82.03735	0.3
82.06586	0.3
83.04973	3.4
83.06084	0.5
84.04512	0.4
85.02894	2.1
85.06525	1.0
85.07674	0.2
86.06077	0.3
88.96888	1.3
90.53853	0.2
90.94820	11.1
91.05486	0.4
93.03404	0.3
93.07026	0.5
94.06532	0.2
95.04957	3.9
95.06064	0.6
95.08597	1.5
96.04475	0.3
96.05604	0.8
96.06207	0.2
97.02873	0.4
97.03978	0.4
97.06501	0.5
97.07600	0.3
98.06089	0.2
98.07163	0.8
98.98448	0.9
99.04444	3.4
99.05474	0.2
100.94379	0.3
104.59226	0.2
108.95850	2.5
109.02866	6.2
109.06503	1.8
109.07619	0.4
109.10154	1.9
110.03156	0.2
110.06002	0.5
110.07183	1.8
111.04436	3.6
111.05553	0.3
111.08076	0.5
111.09224	0.3
111.98470	1.8
112.01563	0.5
112.08720	0.6
113.02357	0.8
113.05995	2.0
113.07137	0.3
113.08225	0.7
113.96391	14.4
114.06641	0.6
114.10281	0.3
114.94712	0.2
123.04399	1.0
125.02345	0.4
127.03905	31.5
127.07533	1.2
127.08533	0.3
128.04233	0.8
129.05450	0.5
129.99503	1.2
131.96269	0.5
131.97426	15.4
132.95821	4.0
137.02312	1.6
137.03357	0.4
137.05974	1.1
137.06943	0.3
137.09612	0.5
138.05542	0.4
138.06618	0.8
138.38918	0.2
140.04715	1.0
149.97212	1.6
150.00772	0.2
150.96880	12.0
153.01833	7.7
154.99168	1.6
155.03377	100.0
155.06943	5.5
155.09229	0.7
155.12843	0.6
155.14194	0.2
155.97412	0.6
156.03716	2.5
156.06483	0.3
156.07666	0.3
168.97955	0.7
173.98528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03934	1.6
55.01853	2.2
55.05503	13.5
57.03430	4.4
57.07060	2.6
59.04985	1.4
65.03928	10.1
66.04274	0.7
67.05495	34.7
69.03418	4.2
69.07058	53.2
70.07388	0.8
70.71754	1.8
70.94244	3.9
70.95849	0.8
71.04982	2.7
71.94090	7.5
71.95245	3.0
78.02820	0.6
78.04726	0.6
79.05481	32.2
80.04983	0.7
80.05814	0.9
80.27551	0.6
81.03389	0.8
81.07041	39.4
82.07378	0.8
83.04975	7.8
83.08611	6.7
85.02888	0.8
85.06536	1.6
88.95285	0.8
89.95074	0.8
91.05460	6.7
93.03391	2.7
93.07029	51.3
94.07339	0.9
95.04967	3.9
95.07977	1.0
95.08592	20.5
97.06515	22.3
98.52680	0.6
105.04476	0.9
105.06990	1.7
107.04955	3.8
107.08575	53.1
108.04488	1.4
108.08897	1.9
109.06500	2.0
109.10140	36.9
110.03676	3.2
110.10509	0.9
111.04458	18.7
111.08049	7.7
111.11678	1.0
111.96866	1.0
112.04778	2.0
112.96712	2.8
119.08569	0.6
125.05976	9.1
125.09606	0.8
126.05484	1.4
126.06307	3.0
129.97888	2.0
130.97736	1.8
133.10120	1.1
135.04420	1.4
135.08067	1.8
135.11667	100.0
136.03923	4.9
136.07516	1.3
136.12013	3.8
138.03110	2.0
138.05043	2.8
148.97301	0.6
153.01735	0.6
153.04190	1.3
153.05464	12.2
153.07457	7.3
153.09235	3.3
153.12718	81.2
154.04930	4.9
154.08586	1.4
154.13055	3.3
154.15822	1.2
167.41524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	1.2
55.01863	1.7
55.05508	5.8
56.05027	0.8
56.96561	0.7
57.03424	1.7
57.07055	0.9
59.04990	1.2
59.06104	0.5
65.03934	52.9
66.04269	1.3
67.01854	0.6
67.05501	7.8
68.05014	1.7
68.96334	0.6
68.99787	0.9
69.03428	4.2
69.04543	1.2
69.07063	6.4
70.06577	2.1
70.94247	3.7
70.95860	1.2
71.01357	0.8
71.04974	2.0
71.06106	0.7
71.94097	1.8
72.08148	1.5
72.33617	0.5
73.06546	0.7
73.88865	0.5
79.05487	10.0
80.04987	1.0
80.05791	0.4
81.03402	0.9
81.04546	0.9
81.07047	9.2
81.30513	0.4
82.06578	1.0
82.79041	0.5
83.01324	1.6
83.04972	11.1
83.06087	1.7
83.08624	1.7
84.08122	0.5
85.02886	1.0
85.07677	0.9
86.06054	0.6
88.95284	1.5
91.05482	6.0
93.03396	15.9
93.07034	26.2
94.06549	1.1
94.07363	0.6
95.04974	6.1
95.06087	3.0
95.08598	20.1
96.04475	0.6
96.08136	0.5
96.08949	0.5
97.02874	1.0
97.06520	10.3
97.07627	0.6
98.06042	0.4
105.06998	2.2
107.04941	6.2
107.08584	35.9
108.04471	1.2
108.05598	1.2
108.08119	0.7
108.08878	1.0
109.06522	2.1
109.07630	2.7
109.10138	7.9
110.03647	9.2
110.07175	1.8
110.08463	0.5
110.10513	0.5
111.04434	100.0
111.08036	4.6
111.09190	2.6
111.96876	1.8
112.04058	0.6
112.04744	2.9
112.07585	0.7
112.08716	5.2
112.96702	0.7
113.05882	1.7
121.02856	7.9
121.06498	0.9
124.05251	0.5
125.02402	0.5
125.05981	32.4
125.09654	2.3
126.05542	1.2
126.06377	1.3
126.09212	0.5
126.10284	1.6
129.97885	2.4
130.96306	1.0
134.06018	1.7
135.04433	2.5
135.05368	0.5
135.08063	3.7
135.11673	14.2
136.03935	3.3
136.04869	0.6
136.07579	1.8
136.08713	2.0
137.07085	0.8
138.03061	0.5
138.06833	0.7
139.03903	0.9
148.97377	2.1
153.01833	5.0
153.04175	1.0
153.05458	16.4
153.06563	1.6
153.07629	1.2
153.09106	6.7
153.10252	0.6
153.11349	9.4
153.12741	10.2
153.13896	0.7
154.04880	2.5
154.06050	0.7
154.08597	1.2
154.09756	1.8
157.14717	0.4
159.36557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	0.9
55.05503	6.0
56.75563	0.3
56.96553	1.0
57.07064	1.2
58.30008	0.3
65.03932	2.5
67.05495	81.9
68.05832	1.2
68.80804	0.4
68.87922	0.3
69.03422	1.2
69.07055	4.0
71.08611	0.7
71.52922	0.4
73.02915	0.5
79.05479	6.6
79.05917	0.5
80.05017	0.5
80.06260	0.4
81.03405	0.9
81.07045	46.0
82.07370	1.0
83.04959	0.6
83.08597	1.1
85.10154	0.4
87.16499	0.4
91.05460	3.3
93.07032	6.9
95.04951	3.0
95.08594	100.0
96.08919	2.7
103.05484	0.5
105.03410	0.4
105.07027	3.9
106.06566	0.7
107.04935	0.9
107.08554	2.4
108.04507	0.5
108.05726	0.8
109.02840	0.3
109.06505	2.4
109.10141	47.2
110.10462	1.2
116.98610	0.3
119.01745	0.6
119.04980	0.4
121.06531	0.3
123.03600	0.4
123.04410	1.7
123.08047	8.4
123.11691	1.7
124.03956	0.5
124.07542	0.6
128.02298	0.4
133.06461	0.7
133.10150	1.8
134.05956	0.5
151.02771	1.1
151.03897	3.1
151.04948	0.7
151.07520	16.0
151.11168	4.3
151.14789	7.7
152.01683	1.1
152.03317	0.6
152.06966	2.3
152.08049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
51.81185	0.2
55.02974	0.5
56.96561	3.3
57.03422	0.3
68.04989	0.2
70.06587	0.2
71.01992	0.4
71.02337	0.2
71.95269	0.3
74.26065	0.2
79.05489	1.0
80.02454	0.3
81.03410	0.3
82.04074	0.4
85.02885	0.4
87.39452	0.2
88.43078	0.2
89.12270	0.2
91.02431	0.2
94.06532	0.2
98.97585	0.6
100.02506	0.3
106.06539	1.7
107.03543	0.7
107.04944	5.9
109.02880	0.3
109.05125	2.2
109.07594	0.4
110.03513	9.5
110.97546	1.4
111.04421	0.3
111.13844	0.2
116.98623	0.2
118.01062	0.2
119.01849	0.7
121.03484	0.3
122.74191	0.2
124.03894	0.2
124.07549	0.3
125.05983	0.3
128.04550	5.6
128.98586	2.6
129.03951	0.2
133.03477	0.3
134.04614	0.8
134.05986	2.8
135.03008	15.0
135.04388	2.8
135.09117	0.3
136.01407	0.4
146.99635	2.6
147.01393	0.6
147.04984	0.5
152.05659	100.0
153.04060	31.2
153.05919	1.6
154.02461	0.7
154.04396	0.7
158.99652	0.2
165.00697	0.6
170.99635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.02380	0.4
51.85119	0.3
53.03933	0.9
55.01866	0.4
55.05506	6.8
56.96555	0.9
57.03440	0.4
57.07067	1.1
65.03934	2.0
67.05499	84.7
68.05824	1.6
69.03425	1.2
69.07059	4.3
69.46024	2.8
71.08626	0.7
71.74187	0.3
77.03909	0.4
79.05488	7.0
79.38586	0.3
80.06270	0.3
81.03417	0.6
81.07049	46.2
82.07378	1.3
83.04984	0.5
83.08614	1.1
91.05480	3.6
93.07040	6.7
95.04971	1.8
95.08597	100.0
96.04522	0.5
96.08921	2.1
97.86102	0.4
98.21531	0.7
98.97609	0.4
103.05434	0.5
105.07024	5.1
106.06586	0.7
107.04944	0.7
107.08602	2.4
108.05741	0.6
109.06517	2.4
109.10147	48.6
110.06049	0.6
110.10507	1.8
119.01840	0.3
123.03603	0.5
123.04425	1.8
123.08061	6.7
123.11674	1.4
124.03949	0.4
124.07572	0.8
128.02336	0.3
133.06517	0.7
133.10097	1.5
134.06013	0.7
136.05110	0.4
151.02798	1.3
151.03899	2.5
151.04982	0.7
151.07532	11.6
151.08609	0.6
151.11166	3.6
151.14796	9.7
152.01715	0.7
152.03404	1.8
152.04460	0.4
152.05798	0.6
152.06987	2.2
152.15103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02358	1.2
53.03939	15.7
53.88821	0.6
55.01870	6.4
55.05507	10.0
56.96559	2.0
57.03432	4.0
57.04013	0.6
57.07066	3.4
59.04992	1.1
65.03934	5.9
67.05499	27.0
67.63704	0.8
68.05017	1.4
69.03424	8.3
69.07062	21.8
69.74379	1.2
69.74796	2.7
71.04984	2.4
77.03912	1.0
79.05022	0.7
79.05483	25.6
81.03400	12.4
81.07046	77.6
82.07386	2.0
83.04960	2.3
83.06080	0.9
85.06584	0.7
91.05470	26.2
92.05793	0.8
93.07033	22.0
94.04181	1.7
94.07339	0.9
95.04957	23.4
95.08593	20.8
96.05733	1.0
96.08964	0.8
97.06505	4.5
98.01233	1.0
98.97603	1.3
103.05462	0.9
105.04488	0.9
105.07019	29.8
106.06576	1.0
107.04929	3.3
107.08583	18.3
108.02067	1.8
108.05729	3.4
109.06503	100.0
109.10143	15.9
110.06713	1.4
110.07228	4.7
111.07915	4.5
119.01808	1.0
121.06495	2.9
121.10089	2.1
122.07266	2.5
123.04412	8.4
123.08053	33.0
123.11691	13.9
124.07549	1.3
124.08540	0.6
128.02240	0.9
131.08533	1.8
133.02783	0.9
133.06482	1.7
133.10118	10.2
136.08826	3.5
137.04684	0.8
141.05415	2.0
149.67754	0.6
151.02838	0.9
151.03880	12.8
151.05006	3.0
151.07561	5.9
151.11157	62.1
152.01646	1.2
152.03305	1.1
152.07028	2.7
152.11530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02372	0.6
51.74763	0.3
52.03157	0.3
52.39420	0.4
53.03929	1.5
55.01867	2.0
55.05495	1.0
56.05028	0.5
56.96549	0.4
58.06589	0.4
65.03948	2.0
67.05502	11.5
68.05019	2.0
68.99773	1.2
69.03421	0.7
69.86034	2.0
70.06580	1.1
74.04825	0.5
75.05593	0.5
77.03913	1.7
79.05487	2.5
80.02599	0.3
80.05013	0.6
81.03403	1.3
81.04515	0.6
81.07051	3.2
82.06564	1.0
83.04973	0.6
83.06087	1.5
87.05593	0.5
91.05494	3.0
93.07021	1.7
94.06555	0.4
95.01358	0.4
95.04961	17.3
95.08575	3.0
96.04493	0.5
96.08125	0.6
97.07632	0.8
102.19397	0.3
105.03386	4.5
105.04490	0.6
105.07024	4.4
106.06596	0.6
107.04949	1.0
107.06087	0.7
107.08602	1.9
109.02886	0.6
109.06515	2.2
109.07634	2.0
109.10122	1.1
110.06036	0.5
110.07161	1.4
111.04459	0.8
111.06812	0.4
111.07948	4.7
112.09973	0.4
119.04923	0.6
122.07217	0.4
123.04421	100.0
123.08024	2.9
123.11697	0.7
124.04014	0.5
124.04771	2.9
124.08701	0.8
133.02844	20.2
133.06476	1.3
133.07468	0.4
133.10123	1.3
134.03210	0.7
134.06023	0.7
134.07117	1.0
135.04530	0.4
135.09172	0.6
143.52243	0.4
150.96913	0.4
151.02933	1.2
151.03902	31.8
151.04926	1.1
151.07526	3.6
151.08664	0.5
151.09790	2.3
151.11143	2.5
152.01651	0.5
152.03270	0.7
152.04291	1.4
152.05913	0.4
152.07025	2.3
152.08147	0.5
152.11797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
53.03950	3.7
55.01869	5.7
55.05511	7.0
56.96558	2.6
57.03423	1.6
58.06591	1.3
59.04984	2.0
65.03941	9.4
67.05499	37.2
68.05022	7.8
68.99791	1.8
69.03425	30.5
69.04548	2.7
69.07056	2.3
70.06576	2.3
70.88126	2.5
70.88444	1.4
77.03902	1.3
79.05488	18.1
80.05008	2.3
81.03400	5.2
81.07049	37.4
82.06572	3.7
83.01267	1.4
83.04973	2.1
83.06089	6.4
91.05476	20.8
93.03416	1.7
93.04500	1.2
93.07029	15.3
94.04197	2.7
94.06532	1.3
95.01306	2.7
95.04961	25.3
95.06036	2.4
95.08601	30.8
96.08109	2.2
97.07648	4.5
98.97561	1.9
103.05452	3.6
105.03375	2.2
105.04476	1.5
105.07022	35.1
106.06565	1.4
107.04954	7.9
107.06081	1.3
107.08575	11.6
108.02086	4.6
108.04484	1.6
108.05725	3.6
109.02928	2.4
109.06508	75.4
109.07668	4.0
109.10143	11.5
110.07197	12.6
111.04417	3.3
111.07944	34.1
111.08600	1.2
119.01794	1.9
119.04858	2.5
121.06482	1.9
122.07253	3.8
123.04420	100.0
123.08046	29.1
123.11704	7.7
124.03938	1.9
124.04782	3.4
124.07644	2.2
124.08666	6.0
124.09467	1.1
128.02301	1.9
133.02826	2.0
133.06487	16.1
133.10126	9.0
134.06023	2.4
134.07098	2.8
135.05492	1.3
135.09164	1.7
136.05136	1.3
136.08844	1.5
141.05469	4.9
151.02885	3.5
151.03915	58.1
151.05013	8.6
151.07533	78.4
151.09776	14.2
151.11157	20.9
152.01648	2.1
152.06000	1.2
152.06946	5.3
152.08133	2.6
152.11705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01860	3.8
55.05500	2.4
56.05032	2.0
56.96559	78.5
57.03434	12.7
57.07067	2.5
58.99864	1.8
60.04512	1.7
60.95856	2.8
61.02917	4.2
65.03931	2.6
66.00859	1.2
67.05498	9.9
68.02638	2.4
68.05013	2.3
68.98285	4.5
69.03419	6.8
69.04537	1.4
69.07037	1.9
70.06583	3.2
71.05000	1.4
71.51373	1.2
71.95245	3.8
72.35619	1.1
73.02915	8.5
73.04041	1.4
74.97601	2.5
75.05594	2.8
77.00864	2.8
79.05476	6.4
80.04994	2.4
81.01048	2.4
81.03406	11.2
81.07039	7.7
82.01432	5.3
82.06605	1.5
83.00777	3.6
83.01546	1.2
83.04955	2.6
83.06094	4.4
84.96027	2.7
85.01423	1.5
85.02893	8.3
86.03679	4.4
86.99325	8.4
87.01012	1.8
87.05583	3.3
88.51690	7.9
88.79572	1.4
89.00779	3.2
89.01725	4.5
89.51599	1.9
90.01528	6.4
91.00537	1.6
91.04996	2.2
91.05493	8.2
92.01285	2.3
93.03339	1.4
93.07034	4.6
94.51601	1.4
95.00762	1.3
95.04977	7.0
95.06075	2.1
95.08602	6.4
96.01556	6.8
96.08127	2.2
96.50574	3.2
97.02849	6.2
97.07613	1.5
97.52200	1.5
97.96803	4.4
97.99184	3.0
98.01288	4.6
98.97577	21.9
99.02095	1.5
99.04461	1.7
100.02476	39.6
100.51553	1.2
100.52531	3.8
101.00838	3.7
101.02487	8.1
102.02262	3.9
103.02436	10.4
103.05033	1.8
104.01279	2.3
104.02027	2.9
105.00359	21.9
105.02076	4.4
105.03400	1.9
105.07021	8.9
105.73897	1.2
106.00436	2.6
106.01801	1.4
107.01814	1.8
107.04926	1.7
107.08587	3.3
108.01463	2.0
108.02158	2.0
109.02878	4.7
109.06499	5.2
109.07642	4.7
109.10146	4.0
109.53728	1.7
110.01311	16.1
110.07179	2.8
110.97569	12.4
111.02896	1.3
111.04445	3.4
111.08016	6.6
111.09234	1.5
112.09956	1.3
113.03423	1.5
114.53098	1.4
115.02415	3.6
115.97015	6.4
115.97806	2.8
116.00218	2.8
116.02534	5.8
116.98611	19.1
117.02142	3.2
117.03983	1.7
117.53456	1.6
118.03512	31.7
118.47321	1.9
118.54243	1.2
119.01820	33.6
119.02706	1.9
119.03629	4.5
119.04950	2.9
119.08555	1.7
119.48975	1.6
120.03278	2.6
121.03508	7.5
121.52026	2.5
123.01380	8.6
123.04446	2.9
123.08045	4.1
123.09160	1.4
123.11693	1.5
124.07621	2.0
124.08725	2.2
124.97555	25.0
125.47604	2.7
125.97435	4.6
125.99245	1.7
126.04131	1.5
127.02444	1.8
127.47810	6.7
128.01874	40.6
128.47659	1.4
128.49483	6.6
128.52519	1.7
128.98593	26.7
129.00378	1.7
129.02061	1.8
129.03967	18.2
130.52556	4.4
131.01851	2.2
132.05115	1.8
133.03540	6.0
133.05119	2.0
133.10097	3.9
133.52867	1.4
133.98074	82.5
134.03581	5.2
134.05992	1.3
134.07085	1.9
134.48122	13.9
134.97946	17.3
134.99615	15.7
135.03241	3.1
136.04547	2.0
136.08791	1.4
136.48340	42.1
136.58894	1.8
136.98407	7.6
137.02843	19.1
137.48320	7.6
137.49991	37.3
137.59698	2.6
138.00049	3.9
138.07642	1.3
139.53021	3.4
140.00241	7.4
141.05075	1.7
142.03471	2.7
142.96822	2.1
142.98590	14.2
143.48677	3.4
143.98486	4.4
145.03424	4.9
145.04466	1.8
145.48872	100.0
145.98936	20.6
146.01219	3.0
146.02896	79.4
146.48717	22.7
146.60236	2.4
146.99638	39.4
147.01376	27.5
147.03218	9.7
147.05023	25.0
147.99176	5.6
148.53636	2.6
149.00797	23.6
149.02931	2.0
149.10503	4.0
149.50835	4.3
150.00771	1.4
151.02789	2.8
151.03845	16.3
151.05020	2.7
151.07552	10.4
151.09718	3.2
151.11119	4.1
151.51137	1.8
152.05907	1.3
152.07080	5.1
152.11835	2.6
153.00813	1.7
154.49397	17.5
154.99417	2.8
155.49242	5.4
156.99641	7.9
157.49745	2.0
157.99510	2.4
158.01302	5.0
158.99606	1.6
159.05093	2.0
161.01199	1.9
161.02934	2.7
163.03845	6.7
164.04243	7.8
165.00713	10.0
165.02435	7.0
165.04257	2.0
165.06082	3.5
169.03391	3.3
169.04716	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	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75559	0.8
52.42130	0.7
53.03928	2.7
55.01861	2.7
55.05511	6.1
56.96546	1.5
57.07080	1.4
65.03934	56.4
66.04282	1.6
67.05490	4.1
68.99757	1.1
69.07060	8.2
70.71218	3.1
73.88410	0.9
79.05483	19.7
79.05919	2.0
81.03381	1.0
81.07043	14.8
82.65521	0.9
83.37518	0.8
89.03889	2.0
91.05469	18.8
92.05826	0.9
93.03398	9.2
93.07035	41.1
94.07355	1.5
95.04941	3.4
95.08585	2.5
98.03670	2.8
103.05455	2.4
105.03377	1.2
105.07019	7.4
107.04951	1.1
107.08584	30.3
108.04440	1.6
108.08908	1.8
109.06501	2.9
111.04442	10.9
118.56426	1.0
119.08503	1.2
121.02851	61.5
121.03952	13.8
121.06489	6.0
121.10146	8.4
122.03180	3.3
131.04897	0.9
131.08582	1.3
134.03635	1.0
149.02325	100.0
149.05891	4.2
149.09596	3.9
149.13248	10.3
150.02682	6.6
150.05487	2.2
150.09087	1.8
161.51857	1.0
167.03395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0581
Annotation	D-Methionine
Peak:m/z	Relative Intensity
53.03937	1.0
55.01858	1.3
55.98869	0.4
56.05027	100.0
56.34459	0.4
56.96556	6.2
57.03427	3.3
57.05364	1.6
58.99569	0.7
60.04528	0.5
60.48718	0.5
61.01141	64.4
61.02928	0.7
62.01470	0.7
65.03934	1.2
66.04259	1.7
67.05499	1.3
67.98235	0.5
69.03416	1.2
70.06586	0.9
71.37821	0.7
73.02914	0.7
73.74744	0.4
74.02428	6.8
74.06063	7.5
74.97614	0.5
74.99046	0.9
75.02699	0.8
75.72630	0.4
79.05465	0.5
80.05012	1.0
81.03410	1.2
81.07058	0.8
82.01437	0.7
84.04491	3.6
85.01080	0.5
85.02888	3.7
85.53754	0.5
86.52728	0.5
86.72042	0.4
87.02680	13.8
88.07567	0.6
91.05484	1.6
93.03392	0.5
94.03713	0.9
94.06554	1.2
94.07396	0.5
95.04970	2.5
95.08596	0.7
96.01518	0.8
97.02896	0.9
98.97578	1.0
100.02460	3.3
101.00847	1.0
102.02249	0.6
102.05525	18.9
104.05313	58.0
105.00209	0.9
105.02068	0.7
105.03709	1.0
105.05694	1.0
105.07030	1.5
107.08559	0.6
108.04502	1.0
109.02861	0.7
109.06459	0.5
110.91381	0.4
111.04404	0.8
115.02403	1.5
116.98580	0.6
118.03520	2.4
119.01900	2.2
119.03574	0.8
121.02846	0.8
122.03181	4.5
122.04300	0.8
122.06013	2.7
123.04411	2.2
127.04136	0.6
128.02296	0.8
131.01920	0.8
132.06578	0.4
133.03172	36.6
134.03465	1.0
134.99605	0.6
142.03464	1.7
144.99789	1.6
145.03432	5.5
146.02950	0.6
150.02655	10.9
150.03645	0.7
150.05568	5.4
150.07726	3.7
150.09119	1.6
150.11211	0.9
151.03867	1.6
151.07526	1.7
151.11154	0.8
160.04480	0.6
163.00822	0.5
163.04533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03922	1.4
55.05272	1.0
55.05507	13.5
64.92793	1.1
65.03929	4.6
67.05475	2.6
69.07038	2.5
69.79672	5.0
72.37601	0.7
79.05488	5.2
81.07027	0.9
84.04461	1.5
84.08128	1.0
91.05473	58.7
92.05794	2.9
93.07037	2.6
95.04951	1.7
96.01861	0.8
98.20853	1.7
103.05470	4.0
105.07023	100.0
106.07346	4.5
107.04975	0.8
107.08584	2.8
115.05461	1.1
117.07019	8.3
117.15571	0.8
119.04939	32.2
119.08571	74.6
120.04468	0.9
120.05300	1.9
120.08902	2.7
123.96445	1.6
129.07002	1.3
131.08601	1.1
132.09343	3.3
145.10141	5.8
147.04413	15.6
147.05511	2.0
147.08054	5.2
147.11673	74.8
148.03879	1.4
148.04947	0.9
148.12056	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	149.0959
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03923	2.6
54.97185	0.8
55.01856	5.1
55.05492	1.7
57.03415	1.3
65.03933	58.2
66.04253	1.5
67.05488	2.7
68.99770	1.1
69.03416	2.2
70.84941	2.3
70.85284	0.9
78.04684	2.4
79.05486	10.0
81.03425	1.1
81.07045	2.6
89.03907	11.2
91.05469	61.4
92.05785	2.6
93.03384	12.5
93.07027	22.7
94.06552	0.8
95.04972	5.4
95.06066	0.9
95.08569	1.0
98.03654	2.8
99.61643	0.7
103.05452	5.8
105.03384	1.6
105.07019	13.4
106.04150	3.3
107.04913	2.5
107.08575	10.7
108.04472	1.9
109.06511	3.7
110.08398	1.2
111.04420	11.0
115.05460	4.2
116.06220	15.2
117.03349	4.7
119.08554	2.2
121.02847	61.3
121.03957	16.3
121.05667	1.5
121.06481	18.7
121.10121	10.3
122.03196	2.7
122.07091	1.7
123.08062	1.8
129.07010	11.6
131.04915	1.5
131.08549	52.0
132.08862	2.1
133.07555	1.4
134.03632	2.5
134.43333	1.0
135.04393	1.1
149.02321	100.0
149.05937	11.4
149.09599	38.6
149.13254	1.4
150.02692	4.8
150.05449	1.8
150.10103	1.5
154.22186	0.9
167.03384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03925	2.9
55.01862	2.1
55.05498	8.6
57.07058	1.7
65.03934	53.5
66.04270	1.8
67.05482	3.1
69.07061	14.0
69.31497	7.9
77.26026	0.8
78.83380	0.7
79.05481	15.2
81.07043	11.6
83.08631	0.7
89.03921	1.1
91.05468	23.2
92.05774	1.0
92.80645	0.7
93.03394	14.1
93.07033	50.3
94.06557	1.4
94.07339	1.7
94.07872	1.2
95.04966	4.7
95.08583	2.8
98.03652	2.3
103.05463	2.9
105.04493	1.1
105.07014	16.5
107.04967	1.3
107.08581	57.5
108.04450	1.0
108.08918	3.1
109.06493	4.0
111.04428	10.6
117.03326	1.0
119.06049	1.8
119.08550	3.7
121.02847	56.8
121.03956	14.3
121.06442	3.5
121.10125	33.5
121.11038	0.9
122.03197	2.8
122.04175	0.7
122.06014	1.2
122.10458	1.2
123.08031	2.7
131.04921	1.2
131.08534	2.0
149.02319	100.0
149.05856	4.0
149.08357	1.2
149.09599	4.3
149.13235	14.4
150.02649	8.3
150.03703	1.2
150.05450	2.2
158.67169	0.7
166.92316	0.6
167.03391	2.1
168.35840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02374	1.1
53.03922	3.0
55.01866	1.7
55.05506	6.7
56.05824	0.7
57.07050	1.0
58.56895	0.7
58.63404	0.7
65.03934	53.3
66.04244	2.1
67.05506	4.6
69.07065	6.8
70.22746	2.3
70.34373	0.7
77.03894	1.2
78.04688	0.9
79.05486	20.5
81.07047	14.4
89.03909	5.1
91.05463	16.7
92.05756	1.1
93.03396	12.3
93.07030	46.7
94.07397	1.7
95.04948	4.7
95.08589	2.9
98.03664	2.1
103.05462	1.7
105.03413	1.0
105.04502	1.2
105.07024	6.8
107.04929	1.0
107.08580	34.1
108.04432	1.3
109.06502	2.5
109.48013	0.7
111.04432	10.7
116.06160	0.9
117.03356	2.3
119.06063	0.7
119.08561	1.5
121.02847	56.9
121.03953	16.2
121.06459	3.7
121.10129	10.2
122.03179	3.1
122.07088	0.9
122.58684	0.7
124.10873	0.9
131.04976	0.8
134.03616	1.0
149.02322	100.0
149.05975	4.9
149.09590	2.8
149.13226	9.6
150.02658	6.4
150.05428	1.4
150.13557	0.8
167.03418	1.0
169.03461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.01849	2.2
55.05502	4.9
57.07055	2.6
61.81382	0.7
65.03934	52.1
66.04261	1.8
67.05476	1.7
68.99760	0.9
69.07057	9.8
69.31921	3.5
69.32343	3.7
74.07833	0.7
79.05487	15.3
80.04981	1.0
81.07024	2.7
89.03921	2.0
91.05470	18.7
93.02821	1.1
93.03395	14.2
93.07035	22.4
93.07632	1.1
94.06551	1.3
95.04962	3.7
95.06067	0.8
95.08595	1.1
98.03637	2.4
98.20650	0.8
103.05454	2.6
105.03347	0.8
105.04505	0.9
105.07018	20.9
107.04941	0.9
107.08582	45.1
108.04485	1.4
108.08096	0.8
108.08851	1.4
109.06501	4.3
111.04430	10.3
119.06013	1.7
119.08588	5.0
121.02848	55.2
121.03958	15.8
121.06496	2.9
121.10129	29.7
122.03188	2.6
122.07138	1.6
122.10492	1.6
123.08062	2.9
131.04951	1.1
131.08496	0.9
133.07594	1.1
134.10809	1.2
140.92967	0.7
149.02324	100.0
149.05966	3.3
149.07051	1.3
149.08394	1.0
149.09579	4.1
149.13255	9.7
150.02661	6.8
150.03723	1.4
150.05507	2.7
150.13562	1.1
152.00894	0.7
167.03418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02387	0.6
53.03945	1.2
55.05505	14.3
64.92786	1.2
67.05497	1.8
69.07053	2.5
71.12771	1.2
79.05482	5.9
81.07038	2.7
84.49223	0.4
86.38622	0.5
91.05470	20.4
93.07034	2.6
95.04942	1.1
97.83546	0.5
103.05464	2.2
105.07017	100.0
106.07316	4.4
107.08552	2.6
117.06995	5.7
117.27142	0.5
119.04927	1.3
119.08566	64.6
120.08901	3.5
123.96452	2.2
129.06956	0.6
130.07756	1.1
131.08562	1.2
132.09308	1.8
145.10101	6.1
147.04384	0.5
147.11667	78.3
148.11990	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	2.2
55.05506	13.9
60.14720	0.6
65.03940	4.2
67.05495	3.0
69.07063	5.4
70.76700	1.0
70.77036	1.2
72.27036	0.6
79.05482	6.4
81.07045	2.6
84.04484	2.6
84.08110	0.7
91.05476	50.6
92.04940	0.7
92.05817	2.2
93.07056	3.1
95.04969	2.1
103.05451	4.5
104.06162	0.9
105.07024	100.0
106.07296	3.8
107.08583	2.7
108.06835	0.7
115.05418	0.8
116.06239	1.2
117.07008	8.1
119.04940	15.5
119.08572	90.9
120.04450	1.3
120.05276	1.2
120.08898	5.0
121.07641	0.7
129.07008	0.9
131.08553	1.8
132.09325	3.6
145.10109	6.5
147.04428	7.8
147.08014	1.7
147.11676	45.5
148.03836	1.2
148.12042	3.2
149.18767	0.6
151.41312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	1.5
55.05504	14.3
56.69649	1.0
64.92791	2.1
65.03938	7.5
67.05499	2.3
69.07068	2.7
70.98386	2.2
70.98733	1.6
79.05483	7.2
81.07043	2.2
84.79330	0.9
91.05469	81.4
92.05796	3.7
93.07024	3.3
95.04948	1.3
96.08338	1.0
103.05469	4.4
105.07018	100.0
106.07343	5.5
107.08566	3.3
117.06998	9.7
119.04926	48.0
119.08569	77.4
120.04477	1.3
120.05286	4.7
120.08917	4.1
123.96475	1.2
129.06967	1.3
131.08492	1.4
132.09364	3.0
132.12434	1.0
145.10068	5.3
147.04405	22.1
147.05492	2.2
147.07991	5.4
147.11670	65.5
148.03851	1.8
148.07547	1.0
148.12019	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03944	1.7
55.05509	6.9
56.99553	0.9
64.92801	2.7
65.03924	2.8
65.13155	0.8
65.68906	1.1
69.03416	3.8
69.07066	1.4
71.41509	1.3
71.41837	1.2
79.05482	7.3
79.39005	1.0
90.36671	0.9
91.05473	70.5
92.05804	2.8
93.07026	3.6
95.04986	2.1
103.05463	6.8
104.06244	2.6
105.04542	1.2
105.07024	58.4
106.07352	1.8
107.04945	6.7
107.08603	7.2
115.05424	2.4
116.06237	2.9
117.07014	22.2
119.04934	11.2
119.08570	100.0
120.04421	1.2
120.08878	5.4
123.96419	2.8
128.06216	17.4
129.06998	81.0
130.07349	3.3
131.08556	4.0
132.05707	5.5
132.08485	1.1
132.09366	8.5
133.06451	1.4
139.64812	0.9
145.06480	2.2
145.10127	14.4
147.04393	5.9
147.05516	2.1
147.08037	39.9
147.11676	62.0
148.08430	3.9
148.12010	4.7
155.06070	1.6
156.61827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	1.8
55.05507	13.9
60.11229	0.6
64.92792	1.5
65.03933	1.8
67.05487	2.6
69.07070	2.2
69.49069	3.6
69.49480	1.5
79.05489	6.9
79.68232	0.7
81.07050	2.4
91.05470	34.8
92.05804	1.1
93.07034	3.7
95.04969	1.3
98.21545	1.3
103.05432	3.7
105.07018	100.0
106.07315	4.5
107.08586	2.6
109.92818	0.6
115.05408	0.8
117.06998	6.7
119.04919	6.0
119.08564	71.2
120.08898	2.6
123.96436	1.9
129.06975	0.7
131.08549	1.2
132.09309	3.1
145.10101	6.3
147.04407	4.6
147.05431	1.3
147.07980	1.8
147.11664	78.7
147.98430	0.7
148.07518	0.7
148.12018	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.26999	0.4
58.98677	0.4
61.04857	0.4
61.71489	0.4
61.72437	0.4
64.92783	0.6
65.03934	11.6
70.06089	1.5
79.05457	0.4
88.15138	0.4
91.05473	100.0
92.05805	2.4
95.04991	0.6
101.07959	0.7
105.07018	3.2
117.07017	0.6
119.04932	91.0
119.08569	4.0
120.04530	0.5
120.05270	2.9
123.96411	1.2
129.04482	0.5
129.07042	0.7
130.49620	0.4
147.04399	34.6
147.08023	1.3
147.11674	1.6
148.04761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.68765	0.4
51.88618	0.4
53.03944	1.0
55.05503	1.4
65.03932	4.0
67.05496	0.8
69.07045	0.5
69.16746	0.4
69.33426	2.1
69.33866	1.8
76.17756	0.4
78.11961	0.4
79.05499	2.0
82.36576	0.4
84.04493	0.9
86.61098	0.4
91.05475	55.6
92.05804	1.7
93.07056	2.1
95.04943	1.1
98.21481	0.6
101.07943	0.7
103.05471	4.0
104.06275	2.5
105.07024	11.0
107.04954	0.8
109.06543	0.4
115.05444	1.2
117.07009	19.0
118.07319	0.9
119.04936	20.3
119.06816	2.9
119.08572	100.0
120.05261	0.9
120.08908	4.1
121.95061	0.4
123.02746	0.4
123.96435	0.8
128.06195	1.4
129.07002	6.4
131.05043	0.4
131.06029	0.4
132.05690	1.2
132.09319	0.6
135.32100	0.4
145.10094	0.8
147.04405	10.4
147.05504	1.1
147.08041	16.0
147.11688	6.9
148.03838	0.5
148.04910	0.6
148.08528	0.6
155.06087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05507	0.8
56.05026	1.8
56.96560	32.5
57.03429	5.1
58.06591	4.8
58.99855	3.3
59.05002	0.5
60.95842	2.5
61.02920	4.2
67.05519	0.4
68.00263	0.4
68.02634	0.5
68.05019	1.3
68.99777	0.6
69.03423	4.7
70.06595	2.4
70.98116	4.6
70.99844	2.9
71.12701	0.6
71.95254	2.0
72.08147	1.8
72.96036	0.5
73.02910	2.2
74.97594	0.9
75.01047	1.1
75.94534	0.6
77.00867	5.8
81.03397	0.6
81.04524	3.6
82.06587	0.7
82.99830	1.2
83.00780	1.1
83.01301	0.4
83.06091	0.5
84.01571	1.0
84.04471	1.3
84.08135	5.4
84.96035	1.6
84.99216	0.4
85.02896	2.7
85.06510	0.4
86.01289	0.4
86.06052	0.9
86.09707	0.7
87.00829	1.0
88.02682	0.7
88.07609	0.7
88.99147	2.0
89.00841	4.0
91.00491	1.0
92.01298	1.2
95.01347	0.9
95.01933	2.6
95.06078	1.9
96.08116	0.6
97.02866	2.9
97.07641	4.7
97.99154	0.8
98.01297	2.0
98.06055	0.9
98.09677	1.0
98.97577	10.4
100.02487	1.5
100.07614	0.8
101.00869	22.6
101.97160	0.5
101.99788	0.5
102.00952	0.9
102.02405	0.4
102.05524	0.5
102.96838	3.4
103.02435	0.8
104.01279	1.0
105.00260	0.9
106.01020	1.1
107.00164	0.6
107.01845	0.8
110.97552	0.7
111.00237	1.4
113.02335	0.5
114.09139	1.1
116.00201	0.5
116.98605	7.2
117.01998	0.4
118.01025	0.8
118.03498	1.2
119.01908	100.0
120.00721	1.0
120.01993	7.8
120.97897	4.0
121.01586	1.0
121.02409	0.5
121.03474	0.7
124.02464	0.6
124.95440	1.2
125.02335	3.5
125.07110	1.8
126.05480	0.5
126.09122	0.4
128.98584	1.4
131.01886	1.3
133.03394	1.1
134.99663	5.0
137.02940	31.4
138.03021	2.6
138.98932	4.5
142.03481	5.3
142.96515	2.6
143.01926	1.9
143.03384	36.4
143.08090	2.7
143.11758	0.7
144.03612	0.6
144.06557	1.1
144.10185	22.3
144.98055	0.6
146.99611	2.0
153.00705	0.8
155.00067	0.4
157.00000	0.8
158.01251	0.7
158.99622	0.5
160.04495	1.3
160.97545	3.2
161.02940	6.4
162.02988	0.6
162.99107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.59831	0.5
52.25116	0.5
55.18033	0.6
59.24834	0.7
59.63696	0.5
65.03931	0.7
65.76321	0.5
66.32399	0.6
70.78200	0.5
71.05072	0.8
71.05413	1.2
72.08154	3.3
76.48946	0.5
76.58887	0.6
78.09148	0.5
82.06564	0.9
88.24579	0.5
91.05474	31.0
93.04426	0.5
100.04763	0.6
112.11231	0.8
115.29316	0.6
117.05740	6.8
118.06531	100.0
119.04942	2.5
119.06866	4.5
128.04030	1.1
128.04951	15.2
129.04428	0.7
129.05309	0.5
146.05995	47.9
147.04364	1.5
147.06363	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	146.0599
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
54.04277	0.2
55.05492	0.2
56.05027	0.2
65.03927	1.3
67.05493	0.2
70.83769	0.3
71.04981	0.3
72.05318	0.3
72.08140	0.8
82.06577	1.1
84.04484	0.4
84.08128	0.3
86.06067	0.4
91.05470	32.6
92.05805	0.7
99.04442	0.2
100.04801	1.0
100.07611	1.9
103.00482	0.2
103.05428	0.3
105.07031	1.1
106.07343	0.3
108.39983	0.2
109.06504	0.3
110.06039	0.2
117.05750	5.0
117.06946	0.3
118.06525	100.0
119.04929	9.1
119.06850	4.4
119.08559	2.0
123.96501	0.3
128.04956	0.4
128.07079	0.5
146.05995	11.8
146.08035	0.6
146.10526	0.2
147.04399	4.0
147.06364	0.5
147.08058	0.3
147.11688	0.7
152.50917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89555	0.4
55.01868	2.5
55.05515	1.0
56.05031	1.2
56.96558	26.6
57.03427	5.5
58.06594	4.1
58.99855	2.3
59.05013	0.6
60.95848	1.9
61.02925	3.3
66.92063	0.4
67.01875	0.6
68.00266	0.7
68.05035	1.1
68.99823	0.5
69.03426	4.0
70.06587	1.5
70.98112	3.4
70.99847	2.8
71.01340	0.6
71.51855	0.9
71.95261	1.4
72.08149	1.2
73.02911	1.7
74.97597	1.0
75.01044	1.1
77.00892	5.7
78.36463	0.4
78.52953	0.9
81.03429	0.9
81.04533	3.8
81.67319	0.5
82.47081	0.4
82.99854	1.3
83.00774	1.6
83.01286	0.8
84.01569	1.7
84.04508	1.8
84.08128	5.1
84.96011	1.1
85.02891	2.8
86.01302	0.8
86.03688	0.4
86.06033	0.5
87.00829	0.7
88.99162	2.5
89.00842	2.8
92.01276	0.6
95.01353	0.9
95.01949	1.5
95.06055	2.4
97.02866	3.1
97.07648	4.5
97.99177	0.6
98.01283	1.5
98.06038	1.5
98.09679	0.7
98.52692	0.5
98.97562	8.4
99.53439	0.5
99.97939	0.5
100.02499	1.1
101.00868	17.8
101.99728	0.7
102.00946	1.3
102.96865	2.9
103.02459	0.7
104.01257	0.8
106.00957	0.5
107.00187	0.6
107.01863	0.7
109.02876	0.5
110.01307	0.5
110.97558	0.9
111.00171	0.7
113.02399	0.9
113.53229	0.5
114.09138	1.0
116.00144	0.6
116.98603	6.9
117.01858	1.0
118.01040	0.7
118.03484	1.3
119.01904	100.0
120.00714	1.1
120.01974	8.0
120.97878	3.5
121.01616	0.5
121.03526	0.7
124.02462	0.7
124.95507	1.2
125.02331	3.2
125.07109	1.9
128.98605	1.7
131.01903	1.4
133.03439	1.1
134.99657	3.4
137.02937	28.9
138.03053	2.7
138.98892	3.6
139.47794	0.4
141.02644	0.5
142.03481	4.3
142.96519	1.6
143.01904	2.1
143.03375	31.7
143.08096	2.6
144.03691	0.5
144.06505	0.7
144.10181	24.5
146.99623	1.4
149.02939	0.5
153.00804	0.6
157.00087	0.9
160.04561	0.9
160.97557	2.8
161.02917	5.9
162.03160	0.7
162.99118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	(-)-Pelletierine
Peak:m/z	Relative Intensity
53.00292	0.4
53.03930	0.3
55.01864	1.8
55.05497	1.1
56.05030	4.1
56.96557	0.3
57.03421	1.4
57.04560	0.4
57.07074	1.3
58.02937	0.3
58.06585	0.6
59.04990	0.5
59.06115	2.0
59.93094	1.3
60.04517	1.4
64.72529	0.2
65.36234	0.2
67.05486	0.8
68.05019	9.5
68.99791	0.4
69.03421	10.7
69.07053	2.1
69.29240	0.4
69.29646	2.3
70.06583	0.8
71.01337	0.6
71.04974	0.6
71.06116	0.2
71.08621	1.9
72.04507	21.9
73.04836	0.4
74.06059	0.3
79.05479	0.9
80.04990	1.8
81.07042	0.5
82.06570	2.7
83.01334	0.7
83.06090	1.4
84.04497	0.8
84.08134	5.1
85.07699	0.3
86.06061	3.0
86.08436	0.5
87.04472	0.5
93.07010	0.3
95.08595	1.8
96.04510	0.4
96.08101	0.5
97.02877	7.7
97.06516	0.7
97.07642	0.9
97.10156	0.3
99.05579	1.4
100.05126	0.3
100.07666	0.5
100.08712	2.0
101.00830	0.3
101.02367	0.3
101.07117	1.0
101.95010	1.1
112.08713	0.6
113.02384	0.4
114.09127	0.4
115.03871	0.3
115.05413	0.3
118.96747	1.9
119.01881	0.6
119.96038	0.7
124.07580	0.4
124.11214	9.5
125.02341	8.4
125.03322	0.5
125.05934	0.7
125.07085	0.5
125.11598	0.3
128.06227	3.3
137.02936	0.3
137.97121	0.7
141.06976	1.1
142.04945	1.2
142.05977	0.3
142.07724	0.9
142.08649	0.8
142.09782	0.9
142.12259	13.9
143.03377	100.0
143.08505	1.0
143.12575	0.5
150.95743	0.4
155.98140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
56.96561	30.7
66.55423	0.4
70.26284	1.5
71.95259	5.6
80.16315	0.4
80.90740	0.4
98.97575	100.0
99.97874	0.7
110.72350	0.4
116.98611	81.9
117.99058	0.7
121.10802	0.4
134.99648	39.4
136.00035	0.4
140.00201	1.8
140.08159	0.5
153.00699	4.7
158.01262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.6
56.96562	32.7
61.64410	0.4
64.39806	0.5
64.42613	0.5
70.87305	1.1
71.94881	0.8
71.95256	6.6
82.16634	0.5
95.06074	0.8
98.97576	100.0
99.97892	0.9
101.85123	0.5
109.57745	0.5
113.06917	0.5
116.98611	78.0
117.98908	0.7
122.76428	0.6
123.22717	0.5
134.99644	38.5
140.00175	1.8
140.08104	1.1
153.00691	4.6
158.01169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83430	1.6
54.32582	1.8
62.77654	1.6
70.15871	1.5
70.94240	3.6
70.94578	3.6
72.93462	1.7
86.06950	1.7
95.66187	2.0
101.00848	19.4
118.03523	7.3
119.01910	100.0
120.01968	2.9
123.35994	1.7
124.97507	2.6
133.98030	6.0
136.04524	5.0
137.02939	39.8
137.49997	7.7
142.03490	16.1
143.03503	2.2
157.53871	1.8
160.04543	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01849	4.0
55.05495	1.4
56.05019	2.2
56.96557	21.0
57.03416	2.4
58.96156	2.2
68.05008	3.6
69.82725	5.8
69.83130	2.5
71.95232	1.9
73.02914	1.4
96.08147	2.7
98.97549	5.4
100.02448	3.9
100.97176	6.7
100.97985	4.4
101.00858	16.1
110.52520	2.1
116.98599	1.9
118.03490	7.3
118.98218	6.5
118.98989	3.5
119.01907	100.0
119.98133	1.3
120.02023	2.6
136.04529	6.7
136.99202	3.5
137.00110	1.7
137.02940	34.8
141.53662	1.5
142.03473	17.2
142.09665	2.1
143.03383	9.2
160.04524	8.5
161.02872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Salicylate
Peak:m/z	Relative Intensity
50.33443	0.4
51.25889	0.4
53.00302	6.0
53.03935	1.2
54.03463	1.4
55.01633	0.4
55.01863	3.1
55.05503	2.4
56.05031	3.1
56.96555	2.8
57.93564	0.8
58.06588	0.5
58.33070	0.5
59.06118	1.1
65.03931	24.0
66.04265	0.8
67.01860	1.3
67.05499	2.1
68.05007	0.9
68.99786	4.2
69.03407	1.5
69.04531	0.6
69.07034	1.2
70.06599	0.7
70.58136	1.0
70.58501	0.8
71.01338	0.6
71.06107	1.0
79.05476	0.4
81.03385	0.4
81.04523	1.9
82.02938	0.7
83.04968	4.9
83.06081	2.6
84.04510	1.2
84.05624	0.7
89.58897	0.4
93.03391	9.1
93.07041	0.7
94.06526	1.1
95.04958	2.3
95.06080	1.9
95.08595	0.4
96.05623	2.7
96.08092	0.5
97.02878	1.5
97.06462	1.2
97.07613	0.5
98.03669	0.7
98.06090	0.5
98.07173	3.8
98.97562	8.5
98.98445	1.5
99.05556	1.1
108.05721	0.4
111.04429	27.8
112.04763	1.4
112.07556	0.8
112.08738	0.7
113.07112	1.1
116.97273	2.4
116.98608	7.5
121.02850	100.0
121.03883	3.7
122.03189	4.4
122.06033	0.7
122.07098	2.3
123.05502	2.7
124.05166	0.4
125.02315	0.7
134.99635	4.8
139.03885	69.5
139.08669	0.9
139.09718	2.9
140.04242	2.6
140.08147	4.6
153.00684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63250	0.3
54.18753	0.3
54.98639	0.4
56.96561	30.5
69.89234	1.9
71.95258	6.6
71.95625	0.6
98.97575	100.0
99.97926	1.0
116.98611	77.3
117.98943	0.5
126.13891	0.3
134.99644	38.2
136.00014	0.4
140.00206	1.9
153.00693	4.7
158.01202	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00283	0.7
53.03938	2.9
54.03436	0.4
55.01865	7.3
55.05508	3.4
56.05008	1.4
56.96557	2.0
57.04552	0.4
59.04991	0.5
59.06111	0.5
65.03931	17.9
66.04248	0.5
67.01856	4.7
67.05494	7.9
68.99781	12.5
69.03423	3.6
71.01360	2.0
71.44136	0.6
72.78846	0.4
77.03900	0.4
79.05496	0.4
80.04998	0.5
81.04523	0.7
83.04968	9.0
83.06080	1.1
91.05479	0.4
93.03393	11.9
93.03980	0.7
93.06989	0.3
94.06547	0.4
95.04958	2.8
96.05581	1.1
97.02885	3.4
97.06430	0.6
97.07652	0.4
98.07179	1.8
98.97569	3.4
98.98453	1.2
99.00821	0.4
99.05571	0.7
111.04427	33.8
112.04780	0.6
112.08714	0.5
113.07087	0.6
116.97227	0.8
116.98594	3.1
120.47791	0.3
121.02853	2.0
121.03952	0.5
122.07108	1.0
123.05547	1.2
129.02522	0.4
130.85399	0.3
132.05899	0.3
134.99701	1.7
135.15004	0.3
139.03883	100.0
139.09749	2.1
140.04213	4.1
140.08185	2.0
142.33228	0.4
152.57219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.77425	0.5
51.79638	0.6
53.03948	3.5
54.03459	1.1
55.01866	8.8
55.05503	4.5
56.05033	3.5
56.96545	2.8
58.06592	0.6
59.04962	0.7
59.06109	1.0
61.34808	0.7
65.03937	19.9
67.01860	6.0
67.05500	8.3
68.05021	1.2
68.99785	13.9
69.03425	3.2
69.04539	0.8
69.56307	1.4
69.56728	3.6
70.06580	1.9
71.01350	1.8
71.06113	1.0
71.95274	0.8
79.05538	0.6
81.04530	2.0
83.04974	9.2
83.06094	3.1
84.04488	0.9
84.05271	0.7
93.03391	13.5
93.07054	1.0
95.04961	4.6
95.06065	2.0
96.05619	2.2
97.02879	4.6
97.06460	0.9
98.07169	5.5
98.97570	7.3
98.98447	1.8
99.00848	1.0
99.05580	2.0
100.10840	0.6
100.40199	0.6
111.04433	37.4
112.04767	1.2
112.08755	0.8
113.07123	0.7
116.97231	1.6
116.98610	6.3
119.17316	0.7
121.02860	3.3
122.07168	2.6
123.05546	2.4
134.99611	4.1
136.85655	0.7
139.03889	100.0
139.09734	3.2
140.03325	0.9
140.04243	4.9
140.08195	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	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03928	4.8
55.01866	1.6
55.05496	3.0
57.07070	1.3
65.03937	4.6
66.04704	1.3
67.05497	37.3
68.04996	1.4
69.03408	2.9
69.07059	2.2
71.53153	2.2
77.03911	1.6
79.05492	8.7
81.03394	3.1
81.06593	2.2
81.07047	35.4
91.05470	25.1
92.04984	1.8
92.05805	3.0
93.07034	11.9
94.02911	1.9
94.04169	15.8
94.06548	2.2
94.07827	1.6
95.01292	1.9
95.04950	10.8
95.08595	29.3
96.04499	3.1
105.04508	1.5
107.04942	24.1
107.08581	2.6
108.05306	1.8
109.02864	1.6
109.06492	8.0
109.09383	1.9
109.10143	36.8
110.06026	4.5
117.07018	2.0
119.04977	2.5
119.08562	15.3
120.04436	3.4
121.06504	10.4
122.03648	17.0
122.07272	100.0
122.76796	1.2
123.03883	1.5
123.07644	1.7
135.08052	3.3
137.02457	19.2
137.03482	2.1
137.05946	32.2
137.09598	96.2
138.01764	5.9
138.05492	12.5
138.06445	2.1
138.09058	1.7
138.09975	3.3
138.48167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00303	8.6
53.03928	1.4
54.03454	0.7
55.01866	4.1
55.05510	2.5
56.05017	1.5
56.86922	0.4
56.96559	2.2
57.93556	0.6
59.06097	0.4
65.03936	20.2
67.01860	2.2
67.05508	2.7
68.05014	0.6
68.99785	7.3
69.03427	1.9
70.06590	0.6
70.70652	0.8
71.01349	0.9
71.95258	0.8
81.04517	0.9
81.05876	0.3
83.04975	5.5
83.06084	1.4
93.03398	8.5
93.07062	0.5
95.04957	2.2
95.06113	0.7
96.05618	0.8
97.02893	2.0
97.06479	1.0
97.07642	0.4
98.07137	1.9
98.97580	6.5
98.98448	1.2
99.05597	0.4
105.04446	0.4
111.04433	22.1
111.08004	0.3
112.04801	0.6
116.97198	1.0
116.98609	4.6
121.02853	9.1
121.03937	0.6
122.06136	0.3
122.07129	0.9
123.05515	0.9
134.99625	2.6
139.03888	100.0
139.09790	1.5
139.11220	0.4
139.12297	1.0
140.04234	4.5
140.08150	1.3
153.00739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00302	8.9
53.03929	0.7
55.01874	3.4
55.05510	2.0
56.05023	0.7
56.96559	0.8
58.06591	0.4
65.03938	15.0
66.91800	0.4
67.01868	2.0
67.05499	2.1
68.99786	5.4
69.03423	1.3
69.17105	3.0
69.17522	1.5
71.01332	1.1
74.65475	0.4
83.04969	4.3
93.03397	5.4
95.04955	1.2
97.02870	1.0
98.07204	0.8
98.97565	1.3
99.00827	0.4
111.04435	15.9
112.08736	0.4
116.97205	0.4
116.98607	0.9
118.16286	0.3
121.02865	9.4
126.91402	0.3
133.40186	0.4
134.99631	0.5
139.03891	100.0
140.04242	3.8
140.41347	0.3
159.57585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.95788	0.2
56.70695	0.2
56.96554	0.3
64.24403	0.2
64.64583	0.2
65.03938	1.8
70.12846	1.0
79.05499	0.4
81.07065	0.5
89.56640	0.2
91.05473	100.0
92.05809	3.4
93.05804	0.4
94.04073	0.4
94.06590	0.3
100.02509	0.2
107.04950	5.6
108.08083	0.5
109.06515	1.9
117.05772	0.4
117.07516	0.2
118.06532	3.0
118.84924	0.2
119.03551	1.3
119.04932	23.1
120.05256	1.2
131.01880	1.1
135.06831	0.4
136.02177	0.3
136.06197	12.1
136.07576	15.3
137.04544	1.1
137.07938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0755
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
56.96566	0.4
65.03934	1.2
65.94346	0.1
67.02989	0.5
69.08198	0.1
71.21571	0.2
71.21919	0.2
79.05501	0.2
81.07076	0.2
82.04050	0.1
89.04029	0.2
91.05471	51.8
92.02489	0.7
92.05783	1.0
92.78593	0.1
94.04043	4.0
94.06521	0.2
100.02496	0.2
107.04945	2.9
108.08126	0.2
109.05119	0.8
109.06480	1.1
111.83104	0.1
112.05101	0.5
118.06538	1.5
119.03555	12.3
119.04911	12.3
120.03902	0.2
120.05270	0.3
131.01886	0.6
136.06169	100.0
136.07475	5.5
137.04576	8.4
137.05606	0.2
137.06628	1.9
143.95744	0.1
149.03047	0.2
153.10995	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02396	0.8
51.95857	0.3
53.03943	3.3
53.07178	0.4
54.03465	3.4
55.01868	2.0
55.05517	0.9
55.30608	0.4
56.03764	0.5
56.05032	1.2
56.96561	0.5
57.07051	0.7
64.29012	0.4
65.03932	3.8
66.03466	0.7
66.04706	6.3
66.05028	0.5
67.04241	0.4
67.05495	6.6
68.05032	2.5
68.99789	0.7
69.03430	1.5
69.04544	4.0
69.07065	0.5
70.02952	1.0
70.06599	0.9
72.04545	1.1
77.03923	0.9
79.05483	7.2
79.23095	0.4
80.05007	1.3
81.03413	3.3
81.04530	11.8
81.07048	10.8
82.05307	0.5
82.06575	3.4
83.06094	3.9
84.04506	0.5
90.72660	0.5
91.05468	11.7
91.82386	0.5
92.04998	1.0
92.05798	2.4
93.04522	1.0
93.07034	5.8
94.04173	49.3
94.06554	2.4
94.07372	0.5
95.04492	1.0
95.05009	4.1
95.06086	2.3
95.08591	6.9
96.04498	1.1
96.05611	3.7
96.06895	0.6
96.08109	0.7
97.04007	1.3
97.05764	0.6
97.06387	11.3
97.07053	0.7
97.07651	1.6
98.04783	1.6
98.06693	0.5
98.21626	0.9
105.03391	0.9
105.04518	0.9
107.04932	2.5
109.02879	1.1
109.06492	4.4
109.07655	1.2
109.10119	2.0
110.01492	0.5
110.06074	2.1
110.07153	10.3
110.07902	0.8
111.05556	5.3
111.09162	0.6
118.54383	0.4
119.04925	2.2
119.06017	0.5
119.08541	0.7
120.04453	1.1
120.05557	3.7
121.03980	1.1
121.06494	0.4
121.07569	1.0
122.03633	64.9
122.07286	2.1
123.03948	2.5
127.03925	0.7
135.04408	0.6
137.02481	6.8
137.05956	100.0
137.08130	8.5
137.09633	3.1
137.10680	1.3
137.13284	0.4
138.01744	1.8
138.05458	5.6
138.06462	6.4
138.09106	1.8
138.10239	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.6
53.03932	1.5
55.01865	1.8
55.05510	0.4
56.05887	0.3
58.33076	0.4
62.23996	0.4
65.03932	2.0
65.44273	0.3
66.04713	6.9
67.05499	4.4
69.03416	0.9
69.07069	0.6
69.40108	1.8
69.40524	1.2
74.97379	0.3
77.03932	0.7
79.05486	6.0
81.03397	0.8
81.07046	9.2
91.05466	6.4
92.05779	0.5
93.07035	1.7
94.04173	48.9
95.01356	0.4
95.04513	0.5
95.04981	3.4
95.08588	6.4
96.04521	0.3
97.06395	0.4
98.21527	0.7
105.03384	1.0
105.04536	0.5
107.04960	2.1
109.02833	0.4
109.06499	3.0
109.10139	1.6
110.06017	1.3
119.04935	1.0
120.04446	1.0
122.03634	65.8
122.07255	0.8
123.03969	2.4
135.04384	0.6
137.02498	3.8
137.05957	100.0
137.09517	2.1
137.13181	0.7
138.01729	1.2
138.05333	1.9
138.06364	4.4
138.09105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03928	1.0
55.01855	0.8
55.32225	1.1
55.98218	0.8
61.22508	1.1
63.87996	0.9
65.03935	1.7
66.04710	8.5
67.05493	0.9
69.03344	0.9
69.54623	5.0
69.55032	2.1
71.51711	1.0
77.03909	1.3
79.05476	4.1
81.07037	3.1
91.05444	3.1
94.04169	55.4
95.04461	1.0
95.04988	1.0
98.20712	0.9
107.04897	1.3
117.09362	0.9
119.05704	0.8
122.03626	72.1
123.03955	2.9
137.05954	100.0
138.06305	6.1
140.11099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.28349	0.1
56.96572	0.4
63.51852	0.1
65.03933	0.5
65.87177	0.2
67.02966	0.2
69.82805	0.9
82.04056	0.2
91.05472	36.1
92.02482	0.5
92.05809	1.0
93.05817	0.2
94.04041	3.4
100.02457	0.3
107.04942	1.9
108.08115	0.2
109.05119	0.6
109.06521	0.8
112.05052	0.3
117.05750	0.2
118.06531	1.3
119.02666	0.3
119.03556	9.8
119.04913	9.9
120.03920	0.2
120.05222	0.3
126.63678	0.2
131.01878	0.4
136.06169	100.0
136.07466	5.7
137.04581	6.5
137.06613	1.9
137.07649	0.3
137.07854	0.2
154.74895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.1
56.96548	0.4
57.62667	0.1
63.02355	0.1
65.03927	0.8
67.02973	0.4
70.88354	0.2
70.88727	0.2
81.07054	0.3
81.84374	0.1
82.04042	0.1
91.05473	63.9
92.02452	0.4
92.05797	1.9
93.05779	0.1
94.04047	3.1
94.06564	0.2
107.04943	3.3
107.05637	0.3
108.08096	0.4
109.05144	0.6
109.06481	1.1
112.05075	0.3
117.05753	0.2
118.06540	2.4
119.03574	7.8
119.04922	17.2
120.05276	0.5
131.01883	0.5
136.06174	100.0
136.07500	10.1
137.04581	6.3
137.05608	0.2
137.06616	1.9
137.07910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02375	1.6
53.03931	9.7
55.01858	4.3
55.05508	10.5
58.55960	1.1
63.94964	1.2
65.03933	6.9
67.05499	29.6
69.03429	1.6
69.07051	6.2
71.53011	1.3
71.53429	2.1
75.58976	1.5
77.03894	2.2
79.05483	90.0
80.05005	2.1
80.05837	2.5
81.07046	28.8
89.03925	3.6
91.05470	89.9
91.47144	1.3
92.05768	3.5
92.06287	2.1
93.07034	100.0
94.02911	3.7
94.04055	1.8
94.07346	1.8
95.04961	15.8
105.04501	3.0
105.07014	23.9
107.04943	13.2
107.08577	81.5
108.04436	1.4
108.08186	1.5
108.08917	4.0
108.75173	1.3
109.01084	9.3
109.06499	10.5
112.03931	1.9
113.80294	1.4
115.05436	32.7
117.07005	15.6
118.06503	2.0
119.03567	3.1
119.06058	5.7
119.08556	4.6
120.05708	1.2
133.10139	2.6
135.04393	9.4
135.05501	4.5
135.08044	65.5
135.10890	1.1
135.11673	54.0
136.02147	91.8
136.03923	10.5
136.05103	2.9
136.06168	33.6
136.07539	7.4
136.08417	1.8
136.12079	2.5
137.04578	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.17629	0.5
53.03933	3.6
55.01854	1.3
55.05505	5.2
65.03931	3.3
67.05496	4.0
68.05004	1.5
69.03414	0.7
69.07053	2.3
70.71543	1.1
72.95050	0.5
75.72793	0.5
79.05482	21.4
80.05011	1.6
80.05809	0.6
81.03391	0.7
81.07042	4.1
89.03904	1.1
89.96950	0.5
91.05470	35.4
92.05779	0.8
92.15052	0.5
93.07031	47.2
94.02884	0.6
94.04020	0.6
94.06516	0.7
94.07343	1.2
95.04955	7.5
96.06870	0.6
103.05468	0.6
104.06227	0.6
105.04511	1.6
105.07013	14.2
107.04952	6.7
107.08577	100.0
108.04494	0.8
108.08138	0.9
108.08917	4.3
109.01083	2.6
109.06499	7.1
109.07609	0.6
112.04018	0.5
115.05437	2.0
117.07000	1.9
119.03532	1.9
119.04917	1.1
119.06050	2.4
119.08562	5.0
120.09335	1.8
133.76143	0.6
135.04401	5.0
135.05507	1.4
135.06516	0.8
135.08058	7.0
135.11670	14.6
136.02144	48.6
136.03899	2.5
136.05061	1.2
136.06169	17.0
136.07474	4.0
136.08482	1.0
137.04572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02369	1.0
53.03938	7.2
54.03479	0.6
55.01859	2.0
55.05509	10.5
56.25060	0.6
57.07071	0.6
62.70023	0.6
65.03934	2.9
66.58963	0.6
66.73592	0.6
67.05507	4.2
68.05019	2.9
69.03415	1.5
69.07062	3.5
69.60217	5.1
70.47578	0.6
71.84935	0.8
73.39803	0.7
77.03921	1.3
79.05488	26.8
80.04995	1.3
80.05831	0.8
81.07053	4.2
89.03910	4.0
91.05473	51.2
92.05795	1.6
92.06295	0.9
93.07037	55.1
94.06567	0.8
94.07343	1.8
94.07851	1.5
95.04964	10.5
95.05556	0.9
95.06094	2.2
96.06865	3.7
99.97292	0.6
102.69682	0.6
103.05442	0.9
105.04539	3.6
105.07021	18.6
107.04951	7.9
107.08583	100.0
108.08167	0.7
108.08912	3.1
109.01080	2.8
109.06512	7.7
109.07644	2.6
109.52251	0.6
115.05456	2.7
117.03359	1.8
117.07025	3.7
118.06525	0.7
119.06063	4.3
119.08566	11.1
119.14438	0.8
120.09396	3.7
135.04420	11.9
135.05446	1.0
135.06607	1.5
135.08058	7.3
135.09050	1.1
135.11678	19.6
136.02159	30.4
136.03835	1.5
136.05118	1.1
136.06174	10.0
136.07556	3.2
136.08678	3.5
136.12082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	5.5
54.03460	0.6
54.96538	0.6
55.01865	1.0
55.05503	10.4
57.07075	1.3
65.03919	3.7
67.05497	5.0
68.05021	2.2
69.07055	4.2
70.65117	1.6
74.06935	0.5
77.03916	0.8
78.04707	0.6
78.97460	0.5
79.05487	29.0
80.05019	0.8
80.05833	0.9
81.07050	4.6
82.71273	0.6
89.03925	1.6
91.05473	42.1
92.05782	0.8
93.07035	66.0
94.02931	0.8
94.04053	0.7
94.07343	1.3
94.07824	1.8
95.04968	8.2
95.06085	1.3
96.06876	1.8
103.05462	0.6
105.04492	2.6
105.07021	18.7
107.04945	5.2
107.08584	100.0
108.08898	3.0
109.01100	1.4
109.06502	6.1
109.07619	3.0
115.05473	1.2
117.07008	2.1
119.03580	0.5
119.04990	1.4
119.06045	2.7
119.08576	6.7
120.09352	2.4
123.78158	0.6
125.08308	0.8
133.10085	0.9
135.04437	5.5
135.06529	1.0
135.08095	3.7
135.08955	0.9
135.10870	0.5
135.11676	18.2
136.02155	18.3
136.03920	1.9
136.06200	7.0
136.07526	2.5
136.08638	2.0
136.12042	0.8
149.63310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
53.03938	7.0
54.03444	1.2
55.01865	8.3
55.05497	4.2
57.07060	1.1
65.03928	9.5
67.05501	7.6
68.05024	5.8
69.03411	7.6
69.07037	1.2
69.71346	1.9
69.71763	3.5
77.03911	0.9
79.05487	53.7
80.04997	1.9
80.05813	1.8
81.03400	1.4
81.04566	1.0
81.07048	2.5
82.06511	0.9
89.03886	4.1
91.05472	100.0
92.05802	2.4
92.06268	2.2
93.07034	33.5
94.02914	2.9
94.04062	2.4
95.04960	14.1
95.06078	2.8
96.06866	5.2
105.04506	2.5
105.06297	1.7
105.07020	28.9
107.04946	17.3
107.06059	1.2
107.08579	60.3
108.04483	1.1
108.08165	1.1
108.08901	2.4
109.01070	7.0
109.06522	12.7
109.07621	3.8
114.66141	0.8
115.05440	19.6
115.06187	1.7
117.07010	13.0
118.06518	1.9
118.50847	0.8
119.03596	2.0
119.04948	3.9
119.06037	5.9
119.08560	5.4
120.05705	1.5
120.09322	1.4
120.71003	0.8
124.05253	1.1
135.04416	13.1
135.05504	3.4
135.06596	3.7
135.08049	36.4
135.11659	12.3
136.02153	89.3
136.03914	6.3
136.05057	3.2
136.06180	33.1
136.07549	10.2
136.08659	5.2
137.04564	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02361	0.9
53.03940	5.8
54.03456	0.9
55.01859	1.7
55.05503	11.2
57.07061	1.0
63.02351	0.5
63.23867	0.6
65.03930	3.8
67.02981	1.3
67.05502	4.4
68.05025	5.2
69.03414	0.7
69.07055	4.4
71.52490	0.9
77.03905	1.2
78.04736	0.6
79.05482	31.2
80.05005	1.4
80.05811	1.0
81.03406	0.5
81.04538	1.1
81.07042	3.7
82.06577	0.7
87.05553	1.1
87.74297	0.5
89.03912	5.4
91.05469	60.8
92.05782	0.9
93.07031	61.4
94.02897	0.7
94.04057	1.0
94.07359	2.3
94.07864	0.9
95.04960	12.8
95.06042	2.9
96.06853	5.8
103.05443	1.1
104.06274	0.7
105.04504	2.5
105.07021	20.7
107.04944	10.8
107.08578	100.0
108.04462	1.0
108.05567	0.6
108.08187	0.9
108.08923	2.9
109.01098	3.1
109.06509	9.1
109.07613	3.7
115.05457	2.2
117.03356	1.6
117.05752	0.7
117.07011	3.7
118.06527	0.8
119.03520	2.3
119.04945	2.5
119.06061	4.6
119.08569	10.4
120.09389	3.2
124.05216	0.8
124.14030	0.5
128.75096	0.6
133.10124	0.6
135.04422	9.2
135.05434	0.9
135.06580	2.5
135.08049	7.8
135.11673	21.5
136.02147	40.6
136.03905	3.5
136.05028	1.7
136.06171	18.7
136.07545	4.4
136.08678	4.8
136.12025	0.8
137.04518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.02367	0.8
53.03944	4.2
55.01859	2.1
55.05501	2.7
63.02350	0.9
63.80388	0.6
65.03928	9.0
67.05494	10.3
67.64004	0.8
69.03417	0.8
69.07064	1.8
69.31068	0.6
70.73234	0.6
71.52914	1.0
79.05482	40.9
80.05007	1.8
80.05807	0.9
81.07043	7.3
89.03912	9.6
91.05466	96.9
92.05788	3.7
92.06285	1.6
93.05747	1.0
93.07030	26.1
94.02901	1.8
95.04948	8.0
102.04638	0.6
105.04480	2.0
105.07023	25.1
106.04182	0.6
106.07348	1.3
107.04942	10.4
107.08575	53.1
108.08907	2.9
109.01070	5.1
109.06497	12.9
115.05440	56.5
116.05646	1.3
116.06246	2.2
117.03330	3.1
117.07002	33.5
118.04076	0.7
118.06491	1.1
118.07312	1.2
119.03529	1.7
119.04888	0.8
119.06061	5.2
119.08524	1.8
120.05691	2.6
124.05172	1.3
124.44115	0.7
133.06447	1.7
135.04387	12.0
135.05501	2.1
135.08034	100.0
135.11659	11.8
136.02144	58.6
136.03893	4.7
136.05098	1.2
136.06157	16.1
136.07500	3.2
136.08377	5.3
137.04584	0.8
150.47783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03944	4.5
53.94997	0.8
55.01632	1.3
55.01870	16.6
55.05498	2.3
65.03934	10.1
67.05492	5.2
69.03426	12.8
69.07056	1.4
70.39059	2.8
79.05483	49.9
80.05011	2.2
80.05791	2.1
81.03428	1.2
81.07052	2.2
89.03902	3.3
91.05472	100.0
92.05801	3.1
92.06268	2.2
93.07037	20.5
94.02911	2.8
94.04042	1.8
94.06546	0.8
95.04952	10.6
105.04494	2.1
105.07023	30.1
106.07320	0.9
107.04954	13.8
107.08578	62.5
108.04493	1.2
108.08903	1.7
109.01073	5.4
109.06508	14.7
110.86406	0.8
115.05449	26.5
117.07007	19.0
119.03517	2.6
119.04945	2.7
119.06034	6.8
119.08559	4.0
120.05693	1.7
120.09343	1.2
124.05213	1.9
135.04413	9.6
135.05527	3.5
135.06482	1.8
135.08044	35.5
135.11659	7.1
136.02150	76.4
136.03917	7.6
136.05095	1.2
136.06174	24.3
136.07545	5.9
136.08517	2.9
136.11076	1.0
137.04616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.04253	0.7
53.03941	7.4
54.03465	1.2
55.01863	6.5
55.05507	8.1
56.96550	2.6
59.59315	0.8
63.02361	1.5
65.03932	7.2
67.02969	2.0
67.05496	9.5
68.05024	5.6
69.03426	5.8
69.07063	4.0
69.50201	1.7
69.50607	4.2
71.38910	0.6
79.05489	52.7
80.05014	2.5
80.05823	1.8
81.03417	2.0
81.04533	1.1
81.07040	6.5
89.03919	7.1
91.05472	100.0
92.04888	0.7
92.05806	2.7
93.07036	47.8
94.02925	2.8
94.04068	1.3
94.06561	1.2
94.07327	1.6
95.04962	14.1
95.06062	3.6
96.06870	5.7
96.83783	0.7
104.57047	0.7
105.04517	3.5
105.06303	1.4
105.07021	27.1
106.07321	1.5
107.04951	18.2
107.06084	1.6
107.08582	90.3
108.04471	1.6
108.05556	1.3
108.08094	2.5
108.08937	2.9
109.01094	5.7
109.06516	11.9
109.07623	5.6
115.05440	13.3
117.03378	2.3
117.07016	10.7
118.03979	1.0
118.06518	2.0
119.03537	2.9
119.04958	5.2
119.06052	6.0
119.08569	6.0
120.05697	1.7
120.09344	3.1
135.04410	16.3
135.05515	2.8
135.06439	3.6
135.08052	27.1
135.09111	1.9
135.10706	1.3
135.11671	16.1
136.02155	73.4
136.03922	7.6
136.05101	4.0
136.06183	29.7
136.07562	8.3
136.08667	8.3
136.11180	1.0
137.04521	1.6
137.09634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77188	2.5
53.03928	7.4
54.29852	2.4
55.01869	7.4
55.05507	3.2
56.24422	2.6
56.96560	100.0
56.98302	2.9
57.03433	33.1
58.99837	2.7
59.06116	3.7
59.21220	2.5
60.04509	10.8
67.05499	3.0
69.03423	18.1
70.50014	7.3
70.50409	5.1
72.52962	11.5
73.02917	14.9
75.05599	9.3
77.00903	7.5
77.52166	5.0
78.04714	3.9
78.52950	6.3
79.05494	20.3
80.05001	4.4
80.52709	3.1
81.03410	7.8
81.53469	3.1
82.01443	6.5
83.06119	2.9
84.52942	5.2
85.02898	6.1
85.51905	3.5
85.53690	4.0
86.52697	34.3
87.02779	7.5
87.05599	19.0
88.02681	11.4
88.07623	4.5
91.05466	13.9
92.05841	3.2
93.01904	3.8
93.04543	3.2
93.07039	8.1
93.53463	3.9
94.05306	3.2
94.06558	3.7
95.04950	9.9
95.53191	16.9
96.03301	3.1
97.03247	4.1
98.03490	3.8
98.97564	14.6
99.53467	6.4
100.02476	33.8
101.00875	11.9
101.02531	4.8
102.02375	12.6
103.02431	6.0
105.00357	3.3
105.03408	3.1
105.07024	4.7
106.06548	8.1
106.07307	5.6
107.04939	14.2
107.06072	7.8
107.08574	12.3
109.02907	4.0
109.06564	3.7
110.96853	3.4
111.02893	15.0
111.04263	4.1
112.00998	2.8
112.02819	3.9
112.11526	2.8
113.03433	8.9
113.53226	3.7
114.58849	2.7
116.00198	3.4
116.98579	13.6
118.03493	37.7
118.04208	3.8
119.01913	68.7
119.02728	5.8
119.03629	4.0
119.97306	12.3
120.02007	10.9
120.03333	11.2
121.01586	9.8
122.53723	7.2
123.53477	3.6
124.54196	3.1
128.01912	4.4
128.97815	41.0
129.02052	5.4
129.03964	4.9
129.54845	2.8
130.01767	3.8
130.03519	5.1
130.06300	2.6
131.01889	23.2
131.51721	3.2
133.03462	8.3
134.03716	5.5
134.06018	17.9
134.07123	13.8
134.09570	5.7
134.99632	21.9
135.04414	16.7
135.05458	3.1
135.06567	3.7
135.08049	4.3
135.09048	2.7
135.11679	4.9
136.04550	6.2
137.02957	24.9
137.49982	13.9
137.98340	55.7
138.03058	5.4
138.49878	5.1
139.02634	3.6
141.05086	3.5
142.03481	50.3
143.03641	7.3
144.03241	5.1
145.03511	6.7
147.05028	13.1
149.02982	8.2
149.49249	2.9
153.00697	4.1
154.03459	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	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
52.09668	0.8
53.03933	2.4
53.18991	0.9
55.01858	1.8
55.05489	2.9
65.03934	6.4
67.05492	7.3
67.62653	0.7
69.07053	1.3
69.28285	8.6
71.48583	0.8
73.54308	0.9
77.03912	0.8
79.05486	29.9
81.07042	4.2
89.03902	5.6
91.05470	84.8
92.05792	2.3
92.06277	1.7
93.07030	19.0
93.25565	0.9
95.04961	4.6
98.21647	0.8
103.05389	1.0
105.04515	1.7
105.07020	21.8
107.04940	4.0
107.08582	51.0
108.08889	2.3
109.06497	10.0
115.05444	51.0
116.06209	3.3
116.06927	0.8
117.03340	2.0
117.07005	28.4
118.07360	0.9
119.06045	3.8
119.08581	2.3
120.05695	1.9
135.04472	4.8
135.08037	100.0
135.11641	8.8
136.02145	17.1
136.03812	1.1
136.06129	4.1
136.08377	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03938	2.5
55.01864	0.9
55.05511	3.7
56.96552	0.7
58.05335	1.9
65.03929	1.4
67.05496	1.0
69.03390	0.4
70.02941	0.7
70.06591	1.3
71.01335	0.5
71.04974	0.5
74.02431	14.0
75.05589	1.1
77.03931	1.2
79.05485	15.0
80.04991	0.9
85.04012	1.2
87.05582	5.5
88.03991	1.6
89.79235	0.5
91.05473	32.7
92.05805	1.5
93.04551	0.5
93.07042	7.9
95.04951	3.5
103.05458	7.3
104.05007	2.6
104.05592	0.6
105.03391	4.6
105.07019	100.0
106.05849	1.0
106.06542	13.7
106.07346	4.3
107.04966	0.6
107.06065	0.8
107.08576	1.8
111.04456	0.4
112.02197	0.7
115.05453	8.7
116.03431	1.2
116.06306	1.0
117.07009	9.8
118.04118	0.7
118.07800	10.8
119.07320	0.5
120.27218	0.4
123.07889	0.9
129.06963	0.8
131.08546	10.1
132.08891	0.6
133.02824	1.8
133.05215	6.1
133.06465	12.2
133.07506	1.4
133.10114	90.3
134.03717	0.8
134.06013	21.0
134.07030	2.1
134.09576	0.8
134.10452	5.3
146.32848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03939	2.4
55.05509	5.0
58.79659	0.7
63.54452	0.8
65.03922	1.3
67.05493	1.3
71.52489	0.8
71.52863	1.2
74.02405	0.9
79.05481	13.2
91.05475	36.3
92.05792	1.7
93.07040	7.5
95.04955	2.9
95.05569	0.8
102.72237	0.8
103.05461	7.3
105.03358	0.9
105.07020	100.0
106.06671	1.1
106.07288	4.1
107.08583	1.9
115.05437	10.7
116.06243	1.6
117.07005	11.9
118.07806	10.5
131.08554	15.2
132.78108	0.8
133.06496	10.0
133.10118	73.1
134.05983	2.0
134.10469	5.3
139.15845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03936	1.8
55.01867	4.0
64.94566	0.4
65.03927	0.6
69.92731	0.9
69.93090	2.3
71.49887	0.4
77.03912	0.6
79.05481	17.3
90.55020	0.4
91.05469	1.9
94.61289	0.4
95.04961	3.0
103.04881	0.3
103.05449	12.7
105.07016	100.0
106.07357	3.5
107.04937	1.4
110.53043	0.5
115.05447	5.2
131.04887	2.2
132.00534	0.5
132.05699	0.8
133.06471	89.6
134.06810	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03940	1.1
55.05494	3.8
58.94970	1.2
67.05486	2.0
71.53394	2.2
73.00071	1.0
73.45850	1.2
78.73815	1.2
79.05483	9.5
83.69463	1.0
91.05471	39.6
92.05787	1.8
93.07020	4.4
95.04956	2.4
100.51831	1.0
103.05456	4.4
105.07022	100.0
106.06596	1.7
106.07372	3.6
115.05435	5.5
116.06216	1.7
117.07021	6.1
118.07779	4.4
119.99859	1.0
131.08545	7.6
133.06470	3.2
133.07497	1.3
133.10117	51.2
134.05995	3.0
134.09550	1.4
134.10468	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	2.7
55.01859	0.7
55.05510	5.0
58.05327	1.8
60.89695	0.7
63.02399	0.6
65.03917	1.3
67.05493	1.3
69.43040	3.2
69.43462	2.5
70.02949	1.1
74.02434	23.9
77.03924	1.5
78.04713	0.7
79.05488	11.1
87.05576	7.2
88.02201	0.7
88.03967	2.9
89.75376	0.6
91.05473	33.1
92.05791	1.8
93.07037	8.1
95.04963	4.6
99.96830	0.7
103.05462	5.4
105.03391	1.2
105.07021	100.0
106.06644	1.3
106.07358	4.6
107.06041	0.9
107.08606	1.6
110.01458	0.6
115.05459	9.2
116.03455	1.7
116.06207	1.9
117.06995	11.1
118.07794	11.4
123.07942	0.9
129.07085	1.2
131.08556	12.0
132.93454	0.8
133.02840	1.2
133.06454	5.5
133.07559	1.8
133.10115	99.1
134.05986	4.0
134.07074	1.8
134.10460	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	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01593	0.5
50.27091	0.3
51.02375	1.0
51.22341	0.3
52.35648	0.3
53.03947	5.0
55.01863	0.4
57.04551	0.5
58.02971	0.5
58.05331	0.9
61.31902	0.3
62.79908	0.3
69.90044	0.4
70.77287	0.8
72.04533	0.5
72.08146	0.8
74.02439	0.7
75.05597	1.1
77.03926	1.7
78.81172	0.4
79.05504	0.5
81.03428	0.6
85.04032	0.8
86.06088	0.5
86.09699	1.5
87.05579	0.8
90.90387	0.8
91.05472	0.5
95.04963	8.9
96.04471	1.8
104.04983	75.3
105.03381	2.2
105.04524	2.4
105.05328	2.9
105.07027	3.8
131.08560	0.4
132.04440	100.0
133.02792	0.6
133.04800	4.9
133.06483	1.2
133.07565	0.5
133.10094	1.1
145.19653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0806
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.30978	0.5
53.03921	1.9
54.03455	1.2
55.01871	0.8
56.96556	1.0
57.03412	0.7
57.04539	1.0
58.02936	0.7
58.05324	1.6
58.06587	0.8
59.06093	0.6
60.04502	0.8
69.20648	6.5
71.29028	0.5
72.08133	1.0
72.93766	1.4
74.02415	1.4
74.70296	0.6
75.05602	3.6
77.03927	1.2
79.05479	2.8
83.98357	0.5
84.05610	0.6
85.04010	2.0
86.06068	1.1
86.09690	3.4
87.05553	1.7
90.90363	1.3
91.05486	3.7
92.03462	0.7
93.05743	1.3
95.04952	1.5
98.21465	1.1
103.05462	1.6
104.04980	6.2
105.03367	1.5
105.07012	15.8
106.06551	0.8
108.50815	0.5
115.05438	18.2
116.05795	1.4
117.05741	56.4
118.06085	2.8
130.06496	7.7
131.07295	6.3
132.04453	8.9
132.08069	100.0
133.02846	1.4
133.06581	3.4
133.07545	0.9
133.08434	4.2
133.10074	1.7
143.06023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.60616	0.5
56.96550	1.1
58.13412	0.5
58.85468	0.4
59.93326	0.4
61.24431	0.4
69.07069	2.4
70.82482	1.3
71.04092	0.4
86.09699	100.0
87.10005	3.0
132.10164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	4.6
65.03888	0.5
70.77283	0.5
70.77627	1.2
74.05470	0.5
77.03911	0.9
79.05487	18.8
80.05820	0.5
91.05482	2.8
94.04107	0.5
95.04968	3.5
98.21461	0.4
101.89671	0.5
103.04798	0.9
103.05458	12.1
105.07019	100.0
106.07346	3.2
107.04946	1.1
115.05437	6.1
131.04895	2.0
131.08580	0.5
132.05695	1.0
133.06477	76.5
133.10081	3.5
134.06842	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	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03943	1.5
57.03432	0.6
65.03931	2.0
69.03421	1.5
70.03737	1.2
71.52399	0.9
78.55430	0.4
84.68982	0.5
85.04836	3.1
85.08466	1.7
86.09681	1.0
91.05472	100.0
92.05782	2.8
95.04948	1.1
103.05463	12.7
104.05820	0.6
105.07034	0.7
113.02390	0.6
113.07930	4.9
115.05448	7.1
116.06238	22.7
117.05797	0.6
128.06190	1.8
129.06984	14.2
130.07343	0.9
131.05005	2.5
131.08549	79.5
132.04428	0.7
132.06525	0.8
132.08023	1.8
132.08888	5.3
133.06453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
57.03434	1.0
58.40089	0.6
65.03918	1.9
70.03741	1.2
71.08862	0.5
71.52747	0.7
84.85803	0.6
85.04820	2.5
85.08473	1.6
91.05469	100.0
92.05795	3.9
95.04955	1.5
103.05453	22.2
104.05769	1.0
105.06989	1.2
109.06570	0.7
113.07952	4.4
115.05448	7.8
116.06232	24.7
117.06548	1.6
120.85952	0.7
128.06183	2.1
129.06992	14.3
130.07310	1.2
131.04906	2.5
131.08548	85.4
132.08022	1.8
132.08897	4.1
133.06503	0.6
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
53.03941	1.8
56.05035	0.9
56.96557	2.8
57.03444	1.2
58.06586	0.6
65.03944	1.0
69.03423	2.4
70.03758	3.3
70.71510	1.4
72.04494	0.9
72.08170	0.8
79.64319	0.6
84.04512	0.8
84.08117	0.7
85.02900	0.6
85.04821	2.4
85.08466	2.8
86.06065	0.8
86.09700	2.3
91.05472	100.0
92.05797	4.5
95.04955	2.0
98.97590	0.6
102.04678	0.5
103.05457	19.5
104.05035	0.7
104.05782	1.6
107.78071	0.4
109.13459	0.4
113.07188	0.9
113.07919	9.5
115.05457	4.1
116.06229	16.7
117.06610	0.5
128.06198	1.8
129.06998	14.2
130.62764	0.5
131.04924	3.2
131.06870	3.8
131.08545	80.1
132.04439	1.4
132.05505	0.5
132.08009	1.2
132.08890	5.3
133.06490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02377	1.1
53.03939	4.9
53.50447	0.2
55.01870	0.5
55.05511	0.6
56.05026	0.3
57.03417	0.5
58.05325	0.7
58.06589	0.4
60.53224	0.3
72.08160	0.7
73.04057	0.4
74.02422	0.6
75.05593	0.5
75.43838	0.2
77.03905	1.6
78.03437	0.3
79.05486	1.4
81.03415	0.6
82.08148	0.3
84.23064	0.3
85.04024	0.7
86.00636	0.7
86.06033	0.4
86.09694	3.1
87.05579	1.5
88.07614	0.3
90.90366	0.4
91.05472	4.1
92.05795	0.5
93.07043	0.9
95.04954	8.9
96.04496	2.2
99.79859	0.2
103.05493	0.7
104.04977	75.3
105.03393	2.0
105.04511	2.9
105.05322	2.2
105.07014	9.6
115.05470	0.6
117.05753	0.6
118.07777	0.7
131.08499	0.9
132.04430	100.0
132.08049	1.3
132.08914	0.7
133.02858	0.7
133.04779	3.6
133.06483	2.1
133.07510	0.6
133.10107	7.3
136.94807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0699
Annotation	Naphthalene
Peak:m/z	Relative Intensity
51.02374	0.6
55.05497	0.6
56.05027	0.6
60.68634	0.4
67.05487	0.5
69.03429	3.8
69.07062	0.7
70.67554	0.8
70.67907	0.7
83.04984	1.0
84.04499	9.1
84.08143	3.8
99.17969	0.4
103.05455	4.9
112.07595	9.3
115.05479	1.0
115.55646	0.5
127.05418	3.4
128.06218	100.0
129.01846	3.8
129.07033	69.1
130.04958	0.6
130.06508	0.7
130.07304	3.3
130.08534	2.3
145.06477	12.2
146.06808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03937	1.2
55.02985	0.3
55.05491	0.5
56.05017	1.0
56.96544	0.7
57.03421	0.3
57.07059	0.2
59.06107	0.4
61.59998	0.2
67.05479	0.4
68.05006	0.2
69.03420	9.1
69.07063	1.3
70.06569	0.6
70.49129	0.6
72.04507	0.4
72.08149	1.9
75.05591	0.2
75.83206	0.2
77.03926	0.6
82.06567	0.7
84.04494	5.7
84.08131	7.4
85.08441	0.4
86.06059	0.3
87.88688	0.2
95.04951	2.0
98.97585	0.5
102.04667	0.7
103.05458	11.4
104.05800	0.5
104.06521	0.2
105.04486	0.6
112.05070	0.4
112.07590	21.0
113.07187	0.3
113.07907	0.5
128.04918	1.6
130.06511	100.0
131.06865	3.1
146.04997	0.2
146.05962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02371	0.6
53.03941	3.9
55.01862	0.2
58.03946	0.2
65.97722	0.1
69.03421	0.2
70.03751	0.3
70.57930	0.2
70.58291	0.4
77.03922	0.7
81.03415	0.5
84.04502	0.2
85.04823	0.5
85.08461	0.5
91.05464	1.8
95.04955	5.8
96.05296	0.2
99.26416	0.2
102.04665	1.2
103.05456	100.0
104.05785	4.5
104.62922	0.2
105.04494	1.6
113.07947	1.4
115.05439	0.2
116.06236	0.6
129.06973	0.2
131.04919	10.1
131.08522	1.5
132.05272	0.4
132.08047	0.2
144.08101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.2
56.72956	1.2
56.96556	7.6
65.03912	1.8
69.03411	1.7
70.03738	1.7
74.97591	1.4
84.04470	2.1
85.04826	5.6
85.08455	1.9
91.05467	100.0
92.05785	4.7
94.00676	1.2
103.05457	16.8
110.53413	1.3
113.07927	10.0
115.05466	8.2
116.06226	25.7
117.06548	1.5
128.06171	1.9
129.06982	16.6
131.04980	2.5
131.08540	84.9
132.04343	1.4
132.08061	3.1
132.08885	7.5
144.16832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03463	0.2
55.01860	0.2
56.05024	0.5
56.96560	2.6
58.99849	0.3
60.00638	0.2
60.95823	0.1
67.05492	0.2
68.05012	0.4
69.04539	0.2
70.06590	0.4
70.22749	0.4
70.99847	0.3
77.00893	0.4
77.29834	0.2
78.04701	0.3
78.79857	0.1
79.05472	0.2
80.05016	1.2
80.05412	0.2
81.04535	0.7
81.05327	0.2
82.01426	0.3
82.06608	0.1
82.99830	0.9
83.01497	0.4
83.06097	1.3
95.01324	0.2
96.04489	0.6
97.02875	0.3
97.07633	0.7
100.02483	1.0
101.00866	14.8
101.02531	2.2
102.00939	0.9
102.02219	1.2
107.06062	1.2
109.02849	0.2
110.01290	0.2
112.03941	0.8
116.02534	0.2
118.03500	0.7
119.01906	100.0
120.02005	5.8
120.03264	0.7
121.02312	0.4
123.04378	0.3
124.02444	0.3
124.03940	2.0
124.05887	0.5
124.07600	0.4
124.08681	1.6
125.07085	0.4
128.97858	0.3
133.03470	0.4
136.55539	0.1
137.02937	46.2
137.98329	0.4
138.03018	2.9
139.03342	0.3
140.03468	0.2
142.03481	6.3
143.03679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
51.47204	0.7
53.03941	8.1
54.03474	0.7
54.43731	0.6
55.01865	8.0
55.05508	33.1
56.05031	7.4
57.03428	1.5
58.06601	5.8
59.06120	28.9
60.35429	0.6
60.47054	0.6
65.03918	0.9
66.04756	0.7
67.01858	0.6
67.05486	2.0
68.05025	36.2
69.03425	7.0
69.04543	0.8
69.05379	0.8
69.05795	0.7
70.06586	10.0
70.88066	1.5
71.04997	6.1
79.05492	12.4
80.05016	2.9
81.03416	25.8
81.04523	1.1
81.07053	40.8
82.06580	6.7
82.07350	1.1
83.06096	2.3
83.07322	0.7
83.08614	11.2
84.04499	3.2
84.08125	3.2
85.02905	0.8
85.04036	0.7
85.07657	6.6
86.08440	8.1
91.05475	4.3
93.05791	4.1
96.04488	5.2
96.08130	1.0
97.02884	0.9
97.05270	25.5
97.06581	0.8
97.07648	0.9
98.06048	16.3
98.07091	0.7
98.09690	14.6
99.04430	2.8
99.09222	0.9
108.04486	2.9
108.08110	19.2
109.02872	32.2
109.06516	32.5
109.07644	11.7
109.08379	1.2
110.06076	1.2
110.06825	0.8
111.06810	2.3
126.05539	4.6
126.09156	100.0
126.10246	17.7
127.03908	52.4
127.08651	0.6
127.09504	3.7
127.10407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02367	0.2
53.03941	1.5
56.96561	1.8
58.99858	0.3
65.03954	0.3
65.80355	0.2
67.05503	0.7
68.05029	0.9
70.23145	0.8
75.51614	0.2
78.03447	2.6
78.03877	0.3
78.06343	0.2
79.04198	0.3
79.05486	0.5
80.05009	48.4
81.05349	1.0
81.07059	0.3
82.01431	2.3
82.99828	0.3
83.00728	0.2
83.06091	0.3
91.00483	0.2
93.14042	0.2
95.04955	4.9
95.05570	0.3
95.06116	0.4
96.04485	14.3
97.04803	0.2
97.07636	0.2
98.97563	0.5
100.02473	10.8
101.00871	4.1
101.02573	0.7
103.87016	0.2
105.03349	0.3
105.04510	0.7
106.02914	3.2
107.06131	0.2
109.02855	0.2
112.03967	0.2
116.98588	0.2
118.03510	8.1
119.01910	22.8
123.05540	100.0
124.03947	4.0
124.04897	0.3
124.05080	0.3
124.05889	2.7
124.07594	0.2
124.08681	0.2
137.02943	10.3
142.03462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93803	0.4
53.03939	3.4
55.01851	0.5
55.05509	4.8
57.07069	5.2
63.15276	0.4
65.03941	2.1
67.05499	16.8
68.05008	0.8
69.07053	3.1
77.03915	0.4
78.03454	0.6
79.05484	15.3
80.05006	10.1
80.05752	0.5
81.03375	0.6
81.07045	100.0
82.07385	2.7
93.07048	2.5
94.07843	1.1
95.04958	16.1
95.08595	16.7
96.04476	7.3
96.05281	0.5
96.08148	0.5
98.21545	0.9
98.96600	0.4
100.02483	3.7
105.04500	0.7
105.07008	0.8
106.02871	0.8
108.05727	0.8
108.09376	0.8
112.03951	7.1
112.04684	0.7
118.03525	4.1
119.01894	1.5
121.10139	1.5
123.04420	4.1
123.05540	19.7
123.08061	4.7
123.09131	1.1
123.11694	22.3
124.03937	18.8
124.05872	0.6
124.07579	1.5
124.12008	0.9
135.33772	0.5
137.02965	1.0
140.03401	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00632	0.3
70.73559	0.8
82.99840	1.1
83.01524	0.5
86.79629	0.3
95.67587	0.3
100.02475	1.1
101.00877	16.2
101.02564	2.5
102.00937	0.8
102.02229	1.7
102.70361	0.3
118.03513	0.9
119.01916	100.0
120.01991	5.6
120.03278	1.0
121.02315	0.6
137.02950	44.5
138.03056	2.3
142.03487	5.9
143.03581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50776	0.5
53.03949	2.9
55.01877	2.8
56.96562	2.2
57.03431	5.7
58.99849	3.3
59.99927	0.5
60.02127	0.7
61.02920	4.1
63.44503	0.5
67.02174	0.6
67.05479	1.2
68.02635	0.5
69.01897	0.6
69.03423	4.7
69.96189	2.3
70.99837	2.1
71.01361	0.7
71.04972	1.0
72.85587	0.5
73.02898	2.2
77.00893	4.5
78.03450	1.6
78.52953	2.1
80.05009	9.9
80.52708	1.1
81.01887	1.6
81.03401	2.6
81.07050	0.6
82.01429	19.9
82.99836	1.2
83.01505	0.9
84.02419	0.8
84.08174	0.6
84.52945	0.9
85.02892	3.6
85.53731	0.9
86.52699	1.1
87.01900	0.8
87.53458	1.2
88.02653	3.0
88.52728	0.9
89.00873	2.2
90.02428	1.1
90.52951	0.5
92.01275	0.9
92.52696	1.5
93.01889	1.7
93.53469	1.0
95.01926	1.5
95.04956	10.2
96.02422	0.8
96.04488	4.1
97.02876	3.6
98.52686	1.0
98.97578	1.3
99.04501	0.7
99.53470	2.2
100.02470	100.0
101.00870	22.6
101.02540	6.8
102.02365	3.7
103.02345	0.7
106.02904	2.3
109.02854	2.1
111.02917	2.0
111.53039	0.7
112.02805	0.7
113.00885	1.9
115.02439	1.5
116.98650	0.6
118.01137	1.7
118.03509	69.7
119.01907	99.4
119.03577	5.5
120.02039	1.1
120.03305	1.7
121.01665	2.0
123.04401	3.5
123.05533	19.4
124.02467	1.2
124.03934	11.0
131.01891	7.6
132.02003	1.2
133.01656	0.9
133.03438	2.2
134.99449	0.8
136.04515	1.5
137.02940	36.0
141.02711	0.7
141.05061	1.6
142.03503	9.9
143.01859	1.8
143.03648	1.0
144.03244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03947	6.2
55.01852	2.8
55.05502	1.2
56.90543	0.8
56.96566	8.7
57.03416	3.1
58.06579	1.2
58.99855	3.5
61.02912	1.1
67.05507	7.0
68.02624	1.0
68.05019	1.1
69.03418	2.5
70.99838	1.5
71.12511	1.7
73.02917	1.2
75.01026	0.8
77.00871	5.0
77.03916	1.0
77.63621	0.8
78.03431	3.7
78.52924	1.2
79.05476	3.0
80.05011	36.8
81.03377	2.3
81.05340	0.9
81.07043	5.2
82.01440	15.7
83.01527	1.2
84.08138	0.9
85.02895	1.4
86.01292	1.4
88.02671	1.5
90.01537	1.0
94.88513	1.0
95.01947	1.3
95.04959	62.7
95.08580	2.2
96.04489	15.8
96.05177	1.6
97.02871	1.6
98.97590	4.9
100.02476	100.0
101.00871	13.5
101.01925	0.9
101.02543	6.3
105.04501	4.6
106.02923	5.5
111.02926	1.5
112.03941	6.8
115.02390	1.5
116.98605	4.0
118.03513	86.6
119.01913	79.9
119.03609	5.5
123.04413	15.4
123.05531	68.4
123.08080	4.2
124.03949	37.5
124.05868	2.3
131.01888	4.8
132.02017	1.1
133.01524	1.1
133.03445	1.4
134.99652	1.3
136.04517	1.1
137.02946	38.3
139.75798	0.7
140.03413	3.1
141.05051	3.2
142.03484	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	122.0965
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
53.03938	0.9
54.03463	0.5
56.62387	0.3
65.91058	0.2
66.65018	0.2
67.05488	0.3
68.05008	0.3
70.40923	0.9
77.03900	0.3
79.05488	6.2
80.05012	0.7
81.04530	0.7
82.05306	1.2
94.88725	0.2
95.04963	4.3
95.06088	1.0
95.08566	0.3
100.02508	0.3
103.05463	4.5
104.05795	0.6
105.07020	100.0
106.07351	5.4
116.95370	0.2
118.03543	0.4
118.40349	0.3
122.05978	0.4
122.07130	2.5
122.09659	0.6
123.04421	1.1
123.05515	1.3
123.08121	0.3
131.73372	0.3
132.47856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
58.99849	0.9
70.74978	1.1
77.00907	0.7
82.01434	12.6
82.99823	1.9
83.01514	1.1
100.02473	58.7
101.00874	22.2
101.01390	0.4
101.02542	3.4
112.65527	0.5
118.03513	34.3
119.01909	100.0
119.03622	2.7
123.04075	1.4
133.10097	0.5
137.02943	35.7
141.05084	0.8
142.03464	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	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02362	3.4
53.03942	22.9
55.01857	2.7
65.03931	6.2
66.48744	1.1
67.05500	7.0
70.14745	1.7
70.15121	1.4
71.27986	0.8
77.03921	3.0
78.04712	0.9
78.27853	0.8
79.05486	18.1
81.03395	2.6
85.97192	0.8
90.81265	0.9
91.05474	65.0
92.05795	2.2
93.07034	38.6
94.06577	1.9
94.07363	1.4
95.04959	34.6
96.05308	1.2
103.05453	8.8
105.04499	11.3
105.07026	10.8
107.07336	1.2
111.04417	1.7
111.38201	1.0
119.08524	1.6
121.02872	3.5
121.06493	100.0
121.10141	7.3
122.06039	1.8
122.06973	3.7
122.09658	2.8
123.07936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02362	3.1
53.03939	20.8
55.01853	2.6
55.05498	1.9
65.03935	4.4
67.05499	6.8
69.28993	2.4
69.29400	5.6
70.76053	0.7
77.03915	3.1
78.04694	1.9
79.05486	18.9
81.03400	2.6
91.05470	57.6
92.79547	0.8
93.07033	39.9
95.04957	34.8
103.05456	9.4
105.04498	10.7
105.07020	8.5
106.07842	1.3
119.08574	1.1
121.06490	100.0
121.10112	9.9
122.06860	2.8
123.08054	1.2
136.52220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02374	2.7
53.03941	22.2
54.03465	1.5
55.01868	5.0
56.96559	36.3
57.03430	6.0
60.04494	0.9
61.02907	1.1
62.92340	0.5
65.03934	7.2
67.02963	0.8
68.05011	1.3
68.08450	0.6
69.03427	2.9
70.98117	1.2
71.01350	0.5
71.04973	0.6
71.48244	1.2
71.95244	0.9
73.02911	3.7
74.00243	1.0
74.97587	1.6
75.01035	1.3
77.00780	0.9
77.03928	4.4
78.04726	1.0
79.05471	2.8
80.05005	0.7
80.93143	1.1
81.03414	5.0
81.04518	3.6
81.05771	0.7
81.31539	0.5
82.01810	0.7
82.05322	5.5
83.00772	5.6
84.01568	1.3
84.96030	3.6
85.02874	1.4
86.53833	0.6
87.99945	0.6
89.00761	1.0
90.01543	2.2
91.05470	79.0
92.01289	7.6
92.05796	1.9
93.07031	63.4
94.04099	1.3
94.06561	2.4
94.07359	2.0
94.51587	0.7
95.04957	49.2
95.06061	4.7
96.01537	1.1
96.05280	0.7
97.00486	2.5
97.02851	1.1
97.99145	1.0
98.01249	0.7
98.97571	13.9
99.02068	0.6
100.02479	0.9
101.01810	0.7
102.04656	2.9
103.05454	100.0
104.01252	0.8
104.05782	3.6
105.02061	1.9
105.04502	13.6
105.07010	1.6
106.01013	2.1
107.01844	0.6
110.01232	1.3
110.97542	1.3
111.04431	1.5
112.03938	0.6
116.98610	10.2
118.00982	0.6
119.01800	2.4
121.02885	4.5
121.04003	2.1
121.05078	5.0
121.06490	95.7
122.05991	1.4
122.07062	9.2
122.09628	0.8
127.01495	1.3
128.02298	1.2
128.98566	3.6
129.28525	0.6
129.97235	0.6
134.99634	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01583	0.6
51.02382	0.8
53.03944	8.1
54.03465	1.9
55.01867	1.6
55.05511	2.0
58.02954	1.0
65.03934	6.8
66.36057	0.5
67.05495	2.1
70.06605	0.7
71.52955	1.0
77.03930	1.8
79.05486	38.1
80.05009	1.5
80.05826	1.2
81.03395	0.5
81.04532	4.0
81.07050	1.2
82.05318	2.9
83.00798	0.6
85.45926	0.5
91.05476	20.6
92.05806	1.3
93.03410	0.6
93.07034	25.3
94.06533	1.4
94.07393	1.1
95.04960	13.9
95.06118	1.3
97.85470	0.6
103.05454	21.7
105.04536	3.2
105.07021	100.0
106.07268	2.4
106.07928	5.6
107.07300	2.8
111.04494	0.7
112.03941	0.9
113.90174	0.5
119.08570	14.1
119.09376	1.1
120.05656	0.9
121.02866	5.2
121.04012	2.8
121.05155	0.7
121.06503	17.1
121.07393	0.9
121.10131	49.0
122.06033	3.8
122.07137	18.1
122.09649	4.2
122.10475	2.8
123.08057	11.2
133.07617	5.8
136.60757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02383	0.6
53.03940	11.5
55.01860	1.1
55.05502	8.1
58.55499	0.5
65.03931	7.0
67.05491	2.7
68.99795	0.5
71.52880	0.7
77.03939	1.4
79.05481	35.2
80.05813	1.3
80.06261	0.9
81.03393	1.3
81.07047	5.5
91.05468	45.6
92.05801	1.4
93.07030	100.0
94.07368	4.5
95.04951	19.2
96.05328	0.7
103.05446	8.2
105.04494	5.2
105.07014	33.4
106.07867	2.9
107.07313	1.2
111.04411	1.1
112.04003	0.5
119.08566	4.9
121.02863	5.8
121.03981	1.7
121.06502	3.5
121.10124	24.4
122.06036	1.7
122.07125	0.8
122.09648	1.9
122.10472	1.0
123.08053	3.1
133.07603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	3.2
65.03930	4.4
70.34863	1.5
70.35256	1.6
74.06059	0.9
78.04700	1.3
79.05489	6.6
91.05470	100.0
92.05006	1.1
92.05803	3.0
93.07041	5.7
94.33962	0.8
95.04974	4.5
96.05299	2.0
103.05457	11.1
104.05627	0.9
104.06246	10.4
105.04472	0.8
106.87411	0.8
109.06481	1.3
115.05447	5.6
117.06999	21.8
119.04930	2.4
119.06051	3.0
119.06842	2.1
119.08566	64.4
120.04470	1.2
120.05576	2.5
120.08093	1.5
120.08905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02387	0.8
52.60158	0.5
52.84978	0.4
53.03943	2.4
56.05019	0.9
59.06119	9.5
60.04532	1.3
61.02925	0.5
65.03939	5.8
66.04266	0.4
66.32629	0.5
67.05514	0.6
70.30168	1.4
73.70673	0.5
74.06082	1.0
77.03912	0.5
78.04703	0.5
78.93114	0.8
79.02985	0.4
79.05483	4.9
87.05573	2.2
88.51777	0.4
91.05474	100.0
92.04999	1.7
92.05803	3.0
93.04525	0.6
93.07034	5.9
95.04970	3.6
96.05294	1.2
103.05456	16.5
104.05630	0.6
104.06245	8.3
105.04519	1.3
109.06511	1.3
115.05437	4.8
117.07008	21.4
118.07355	1.1
119.04949	5.0
119.06056	3.2
119.06849	2.0
119.08569	56.7
120.04467	1.4
120.05601	3.2
120.08092	7.9
120.08906	1.7
121.06510	0.9
131.06046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	0.7
53.03932	1.7
55.01851	2.4
55.05495	2.1
56.05017	1.5
56.96559	59.1
57.03429	1.9
58.99852	1.2
59.05005	0.5
60.04511	2.9
60.95845	6.4
60.99629	0.7
65.03619	0.7
65.03928	8.4
66.03435	0.8
67.05494	3.4
69.03421	8.2
69.94867	3.3
70.03764	0.8
71.04974	0.9
71.95256	3.8
72.02841	1.2
72.04515	1.2
72.28316	0.6
72.52961	1.4
74.06068	1.6
74.97595	2.0
75.94554	0.8
77.00865	2.9
77.52173	0.6
78.00951	0.8
78.04723	0.7
78.52943	1.1
78.93092	1.0
79.02966	1.1
79.05479	2.3
80.04994	0.6
80.06287	0.9
81.02811	0.7
81.03398	2.7
81.04537	0.7
81.75665	0.6
82.01401	1.2
83.00779	1.0
83.04961	2.7
83.08578	0.6
84.96013	1.3
85.53710	0.8
86.52678	2.8
86.53593	0.8
87.02811	0.8
87.53471	0.7
88.51658	0.7
88.53271	0.7
89.00819	0.7
90.01510	0.9
90.03342	0.8
91.02329	0.7
91.05471	4.6
91.53725	0.7
92.04990	3.1
92.05782	2.4
92.52698	0.8
93.01875	1.0
93.03382	1.8
93.04521	2.4
93.07009	3.5
94.03560	1.3
94.53335	0.8
94.54202	0.6
95.01929	1.4
95.04956	2.7
95.08570	0.7
95.53193	1.3
96.50560	4.2
97.00520	1.3
97.02207	0.6
97.53706	0.8
98.01382	2.4
98.97573	15.6
100.02470	11.1
101.00868	2.8
101.02571	4.0
101.95005	0.9
102.00948	2.1
102.02222	6.7
102.96869	3.0
103.00589	1.1
103.02436	5.2
103.05444	2.1
103.53711	2.3
104.01324	0.8
104.52686	1.1
105.02171	3.2
105.07002	1.7
105.51069	1.2
105.53440	1.1
106.00331	0.7
106.01033	1.7
106.02650	4.9
106.04117	1.1
106.52794	0.8
106.96529	1.2
108.01302	0.8
108.05128	2.0
109.00506	1.0
109.02934	0.9
109.52136	1.0
111.04427	16.0
112.04726	0.9
115.02443	1.5
115.03214	1.3
115.96987	4.5
116.00210	0.8
116.03114	0.9
116.98606	23.9
117.05662	2.4
117.53458	2.6
118.01028	2.0
118.02680	1.0
118.03500	12.2
119.01908	21.8
119.03609	4.1
120.02010	16.1
120.03246	7.2
120.04463	2.9
120.05577	10.8
120.06426	1.2
120.08073	2.3
120.97874	3.6
121.01662	8.6
121.02798	3.8
121.03455	4.1
121.06473	1.5
122.03580	1.2
123.03187	2.7
124.97551	17.7
127.01501	1.2
127.47810	1.4
128.98579	0.9
131.01881	2.0
133.03465	1.8
133.98076	100.0
134.98129	1.1
134.99640	30.0
135.00671	1.5
135.03131	1.0
136.04497	0.9
136.48347	4.8
137.02943	15.9
138.01955	1.4
138.03024	11.1
138.98921	6.8
139.02658	7.0
139.03563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.05504	20.0
56.05033	0.7
56.96555	2.3
57.05806	1.8
58.06592	30.0
59.04993	0.9
59.06120	1.8
59.07374	28.6
60.04510	1.0
60.06447	0.7
60.07717	0.6
65.03931	1.5
67.40762	0.4
69.03407	0.6
69.14643	0.4
70.06585	1.1
70.18070	1.3
72.08144	100.0
73.08487	2.2
74.06067	1.1
76.07620	0.7
77.07961	0.6
91.05470	27.8
95.04935	0.5
100.07610	0.6
104.52885	0.5
107.94352	0.6
109.05499	0.5
112.07615	0.5
117.05764	1.0
118.06545	9.4
118.08641	79.1
119.04948	1.4
119.08971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.7
56.96572	7.8
58.06594	2.3
58.99854	1.6
59.05839	3.0
59.06118	48.8
60.04521	22.1
61.02922	2.2
62.06074	2.4
65.03923	6.9
67.05501	8.8
67.25317	1.6
69.03421	7.5
70.72176	5.6
74.06064	3.0
75.05579	1.8
77.93367	1.6
78.93112	5.1
79.05498	5.6
80.02953	3.3
80.06258	4.4
81.07039	3.7
82.01434	3.5
85.53739	1.5
87.05573	6.7
87.53508	1.9
91.05473	100.0
92.05004	2.9
92.05773	2.1
93.07044	2.7
95.04949	3.5
100.02474	15.6
101.00872	6.9
101.02543	3.3
101.07133	5.5
102.02219	1.6
102.04237	1.5
103.02428	7.2
103.05379	1.5
107.05250	8.1
107.55354	3.7
111.04414	1.9
116.05790	9.4
117.07011	3.6
118.03506	14.7
119.01049	2.6
119.01908	55.6
119.05008	1.4
119.05156	1.4
119.06031	8.7
119.08653	12.4
120.02002	3.8
120.04526	1.7
120.05579	6.9
121.03448	10.6
123.03211	2.2
129.03954	2.3
133.03389	1.5
136.04510	2.3
137.02954	34.3
138.03036	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03942	1.8
54.04265	0.5
65.03933	10.7
67.45016	0.4
70.91850	1.3
70.92197	0.9
74.06065	1.0
74.09942	0.5
77.03522	0.9
78.04694	0.8
78.93132	0.7
79.05511	2.8
91.05475	100.0
92.05001	2.3
92.05795	3.2
93.07027	1.5
95.04960	2.6
96.04472	1.0
96.05301	0.9
103.05460	5.4
104.06233	3.9
109.06517	1.3
110.06036	0.6
115.05436	1.9
117.07002	8.5
117.07761	0.8
119.04929	14.2
119.06051	3.9
119.06850	2.8
119.08571	29.8
120.04460	2.2
120.05573	5.1
120.08093	2.9
120.08878	1.0
121.04002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
56.33541	1.8
56.96561	87.1
58.95409	22.2
59.06111	8.4
67.05495	2.8
69.03411	4.5
70.06580	2.5
70.38093	3.4
70.38423	3.2
71.06908	4.9
71.95255	13.7
75.05572	3.4
76.92866	6.9
76.96441	2.1
82.01452	2.6
91.53690	2.1
96.50564	2.4
98.97578	100.0
100.02486	12.8
101.02548	2.6
109.02878	2.2
112.07616	4.8
114.91228	1.9
116.98609	91.5
117.99046	9.5
118.03533	9.8
119.03699	2.1
120.03251	2.0
134.99638	57.8
136.00096	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02367	5.3
53.03941	62.1
55.01859	3.0
62.63256	1.3
63.13481	1.5
65.03928	2.0
68.60577	1.3
71.41763	2.8
72.08137	2.8
77.03907	10.5
79.05495	2.0
81.03413	5.2
91.04902	2.3
91.05473	47.6
93.07011	2.3
95.04956	100.0
96.05289	2.3
103.05425	3.0
103.56583	1.4
104.06252	3.8
105.04502	24.7
105.05136	2.1
116.05772	5.4
117.05833	1.4
117.07002	6.7
118.06538	84.1
118.07327	5.6
118.08596	2.1
119.06062	2.2
119.06864	2.2
119.08569	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
53.03941	5.0
55.91037	1.0
56.05016	1.2
58.06593	2.2
59.06116	8.7
60.04516	4.1
60.06433	1.0
62.74831	0.9
65.03912	2.1
71.32460	1.5
72.04491	3.2
72.08140	3.2
73.08487	1.0
73.26339	1.0
74.06042	1.4
75.91787	0.9
76.92908	0.9
76.93350	5.1
91.05469	43.8
94.94383	2.0
95.04967	7.5
98.30296	0.9
105.04513	2.3
110.08556	1.0
117.05764	6.7
118.06528	100.0
119.06076	1.0
119.06879	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
54.01845	0.9
55.05502	1.0
56.05030	1.3
58.06593	2.2
59.06119	6.0
59.07367	1.1
60.04507	3.3
61.62110	0.8
69.56424	0.9
71.32773	2.0
72.04491	2.6
72.08141	3.2
75.05587	1.3
76.93369	7.9
77.03948	1.1
77.80258	0.9
81.71105	0.8
91.05473	48.4
92.05797	1.4
94.94408	3.2
95.04966	11.6
105.04510	3.5
106.42588	0.9
117.05745	5.3
117.96018	1.3
118.06531	100.0
118.08687	2.8
119.06835	5.6
139.17899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03403	4.9
83.04965	0.7
85.02895	1.1
89.03911	4.8
91.05461	1.9
93.03385	1.8
95.04974	4.5
97.02879	0.6
99.04445	1.2
101.42055	0.4
103.05459	1.9
103.53866	0.4
105.03391	1.7
107.04945	11.4
107.05641	1.1
109.02875	4.3
111.00789	11.4
111.04427	14.6
115.05444	1.7
117.03349	2.7
119.04932	4.8
121.02837	3.3
123.04411	82.5
124.04770	1.2
127.03900	85.7
128.04268	1.2
128.06223	0.7
131.04918	4.3
133.06471	0.6
134.74507	0.5
135.04396	80.0
136.04767	1.8
137.02339	6.2
137.03320	0.8
137.05936	1.2
139.03883	58.0
140.04259	0.6
141.01839	0.6
141.06924	1.3
143.04953	1.3
145.02838	1.7
145.06508	2.5
146.03493	0.5
147.04391	11.7
149.02332	11.9
149.05923	2.2
150.03065	1.2
151.03885	21.3
153.01805	1.4
153.05466	1.1
153.06992	0.7
155.04927	3.8
157.06444	1.7
159.04402	5.5
160.05162	0.5
161.02341	1.9
161.05962	4.7
163.03883	73.9
164.04347	1.0
165.01778	1.2
165.05464	5.3
167.03412	5.3
169.04929	3.0
169.06461	3.1
171.04353	1.6
173.02385	1.0
173.05966	6.9
175.03897	4.7
175.07462	0.8
176.04463	0.6
176.61024	0.5
177.04031	0.9
177.05435	9.4
179.03368	12.7
181.04898	1.8
181.06468	1.6
183.04402	3.1
185.05904	3.3
187.03844	10.0
187.07501	0.7
188.04457	0.5
189.01833	1.0
189.03822	0.7
189.05460	4.9
190.02551	0.7
191.03366	13.9
191.06989	0.9
193.04993	2.8
195.04472	0.6
197.04340	0.8
197.05971	6.1
199.03899	0.8
199.07420	0.7
201.05440	11.9
203.03381	17.2
203.06998	3.2
205.04922	3.9
205.06570	0.7
207.02843	1.4
207.06226	0.8
209.05945	1.0
211.03798	1.1
213.05432	4.7
213.71394	0.4
215.03368	4.1
215.06926	4.7
215.66255	0.5
216.04012	0.6
217.04927	5.0
219.06506	1.4
221.04265	1.0
221.06094	0.7
223.02275	3.6
223.05746	0.5
225.05421	2.6
226.05997	0.7
227.03413	1.2
227.06960	0.6
229.04945	18.1
230.05371	1.0
231.02869	2.1
231.06473	7.9
233.04430	6.3
235.02332	1.0
237.05417	2.5
239.03279	0.6
239.07033	0.9
241.04858	4.7
242.05661	0.6
243.02802	1.3
243.06404	6.4
244.03711	1.1
245.04428	100.0
246.04761	3.3
247.05989	74.9
248.06343	2.4
251.05324	1.2
253.04933	3.4
255.06462	4.7
257.04410	23.6
258.05069	3.6
259.05981	12.9
260.06693	0.6
261.07596	4.9
263.05292	3.4
265.04953	2.0
267.06381	1.9
269.04443	8.2
269.07309	0.9
270.05264	1.0
271.05969	40.3
272.06366	1.7
273.03854	1.4
273.07529	3.4
274.04657	5.7
275.05463	32.3
276.05942	0.7
277.04953	0.7
279.06461	1.3
281.04486	3.3
283.05991	12.3
284.06235	1.0
285.03873	3.4
285.07468	2.2
286.04688	1.8
287.05447	37.7
288.05795	1.7
289.07031	52.0
290.07324	1.1
291.08655	18.9
293.04565	0.9
295.05908	4.7
297.03857	5.8
297.07367	1.4
299.05438	8.0
301.07056	13.6
303.04950	2.3
303.08499	1.8
305.04312	0.7
307.05975	1.4
309.03830	2.7
309.07214	0.7
310.04410	0.6
311.05469	3.9
313.07047	4.3
317.07941	2.0
319.05914	1.2
321.07462	0.9
323.05466	3.6
325.07095	0.9
327.05035	0.9
329.06583	1.7
331.08179	3.1
333.07556	2.1
335.05255	0.7
337.07108	1.5
339.04984	1.1
341.06656	1.4
345.07541	1.2
347.05249	0.6
349.06967	1.5
351.04935	2.1
351.08743	0.6
361.06918	3.3
363.04807	1.1
363.08557	2.6
365.06299	3.2
366.60223	0.5
373.06924	0.9
377.06381	2.6
379.08151	8.3
381.05698	1.1
383.07782	2.9
387.08707	0.8
389.06622	4.6
390.06601	0.6
391.08051	7.2
393.05707	4.8
393.10358	0.8
395.07599	4.6
396.08295	1.0
397.09161	13.3
401.06445	2.1
402.07449	0.7
403.07870	1.8
405.05600	2.9
407.07562	38.4
408.07867	1.5
409.09128	36.8
410.09320	1.5
411.10748	4.9
415.08469	0.7
417.06088	0.6
419.07574	9.0
421.09204	4.3
423.06305	0.7
425.08575	23.0
426.08734	1.5
427.10193	17.3
431.07571	2.2
433.09201	5.3
435.11273	1.0
437.08652	16.8
438.09033	0.7
439.10175	2.6
449.08664	5.8
451.10184	9.1
453.11722	1.6
467.09103	0.7
469.11243	0.9
481.08725	0.5
511.05817	0.6
517.11133	4.0
527.09741	2.4
529.11493	0.7
531.12897	0.7
535.12463	5.5
541.11359	3.6
543.08832	0.7
545.10760	4.1
553.11206	1.1
557.10681	2.1
559.12183	5.5
560.12299	0.6
561.13605	1.3
569.10248	1.0
571.12189	2.5
573.08728	0.6
575.11633	1.3
577.13379	10.8
579.06226	0.8
579.14978	15.9
583.11938	0.6
587.11176	0.9
589.12671	2.0
595.13959	0.6
621.15619	0.7
677.12482	1.4
679.13904	2.2
695.13892	2.8
697.15497	5.2
699.16492	1.2
713.14307	0.8
715.16260	2.9
732.65179	0.5
741.17023	0.7
815.15576	1.0
833.16071	0.8
867.20587	0.9
925.97418	0.6
967.19708	0.7
985.20740	1.5
1109.73694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.275
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	3.8
83.04984	0.9
85.02905	0.9
89.03908	4.6
91.05460	2.3
93.03393	1.4
95.01306	0.7
95.04951	3.7
97.02878	0.5
99.04475	0.9
103.05450	2.2
105.03363	2.0
105.07005	0.5
107.04940	9.7
109.02856	4.3
111.00787	12.8
111.04423	13.0
115.05417	2.0
117.03355	3.2
117.06961	0.8
119.04906	3.5
121.02879	2.8
121.03675	0.6
121.06467	0.6
123.04407	82.7
124.04732	1.2
127.03894	85.8
128.04234	1.5
128.06259	0.6
129.06984	1.0
131.04897	3.5
133.02841	0.4
133.06476	0.8
135.04388	79.1
136.04765	1.2
137.01353	0.6
137.02327	6.4
137.05943	1.3
139.03877	58.4
140.04170	0.5
141.06940	1.1
143.04898	1.8
145.02818	1.6
145.06477	2.0
147.04391	10.0
149.02312	10.1
149.05937	2.4
150.03044	1.1
151.03876	20.1
152.04512	0.5
153.01817	0.9
153.05423	1.1
153.06972	0.6
155.03639	0.6
155.04872	3.5
155.06036	0.8
157.06454	1.1
159.04395	6.0
161.02319	1.6
161.05940	5.9
163.03873	76.0
164.04269	1.3
165.01822	1.3
165.05443	6.6
167.03394	5.8
169.04951	2.1
169.06445	2.3
171.04405	1.1
173.02301	1.2
173.05954	6.8
173.92790	0.5
175.03842	4.6
175.07501	0.6
176.04617	0.7
177.05432	10.0
179.03365	12.1
179.06816	0.4
181.04912	1.8
181.06401	0.9
183.04378	3.2
185.04527	0.5
185.05904	2.6
187.03848	9.9
187.07507	1.2
189.01773	0.6
189.05432	4.5
189.38231	0.4
191.03348	14.8
191.06995	1.3
193.04958	2.7
195.04472	0.4
195.68579	0.3
197.05956	6.2
199.03819	1.3
199.07535	0.6
200.04639	0.8
201.05449	12.1
202.06056	0.4
203.03363	20.0
203.06946	2.8
205.04951	3.9
207.02826	1.5
207.06488	1.2
209.05887	0.9
211.03816	1.4
211.07513	0.4
212.04681	0.4
213.05412	5.1
215.03404	5.1
215.06937	3.9
215.08815	0.5
217.04893	4.8
218.05170	0.4
219.02797	0.6
219.06386	2.0
221.04315	1.1
221.05998	1.1
223.02309	3.4
225.05412	3.6
227.03435	1.8
227.06929	1.5
229.04918	17.0
230.05412	1.1
231.02837	1.7
231.06485	5.3
233.04384	5.5
235.02353	0.8
237.05370	2.0
239.03476	0.4
239.06961	1.1
241.04933	4.2
242.05621	0.6
243.02840	1.2
243.06445	5.5
244.03592	0.9
245.04410	100.0
246.04758	2.7
247.05977	71.4
248.06383	2.0
249.05469	0.6
251.05392	1.2
253.04916	4.4
255.02863	0.4
255.03827	0.5
255.06415	4.5
257.04416	21.3
258.05148	3.8
259.05981	13.3
259.08716	0.4
260.06528	1.2
261.07520	3.8
263.05264	2.6
265.04883	1.3
267.06540	2.0
269.04391	7.4
270.05130	1.5
271.05960	40.3
272.06213	1.2
273.03833	1.4
273.07428	3.2
274.04626	5.2
275.05432	28.9
276.05679	0.9
277.04865	1.2
279.06494	1.1
281.04352	3.1
281.07208	0.6
283.05963	12.2
284.06598	0.6
285.03848	4.1
285.07471	2.3
286.04553	1.3
287.05447	39.7
288.05774	1.4
289.07013	46.5
290.07413	1.0
291.08615	19.3
292.08972	0.6
293.04340	1.7
293.07788	0.8
295.05954	5.0
297.03848	4.8
297.07425	1.8
299.05417	7.4
301.06995	13.8
303.04968	1.6
303.08572	2.1
307.05957	1.5
309.03857	1.8
309.07257	0.7
311.05478	2.9
313.06992	3.3
315.04993	0.5
317.07883	1.5
319.05872	1.1
321.03995	0.8
321.07538	1.5
323.05438	4.5
325.07053	1.0
327.04889	1.2
329.06857	0.8
331.08493	1.9
333.07520	1.4
335.05325	1.1
335.08966	0.7
337.06943	1.4
339.04901	1.1
339.08701	0.8
341.06488	1.4
345.07434	1.6
347.05276	1.2
349.07053	1.0
351.04788	1.8
353.06729	0.6
361.06958	3.8
363.04761	1.2
363.08514	2.5
365.06509	3.3
367.07883	1.2
367.98413	0.4
371.05310	0.6
373.06970	1.7
375.08511	0.6
377.06577	2.3
379.08023	7.9
381.05930	1.0
383.07596	4.2
387.08731	0.5
389.06467	6.2
391.07999	6.3
393.05804	4.5
395.07535	3.7
396.08252	1.2
397.09131	12.9
401.06265	2.0
403.07977	0.7
405.05371	3.0
405.10257	0.8
407.07538	34.6
408.07858	1.1
409.09134	37.9
410.09326	1.4
411.10699	5.1
413.07391	0.5
415.08173	1.1
417.05768	1.0
419.07581	8.7
421.09222	3.9
423.10791	0.7
425.08560	20.8
426.08774	0.5
427.10199	18.8
428.10526	0.6
431.07373	1.6
433.09177	4.6
435.05957	0.5
435.10803	1.3
437.08615	14.5
438.08859	0.6
439.10297	2.8
443.07465	0.5
449.08673	4.5
451.10217	8.3
453.11740	2.2
467.09122	0.8
511.06039	0.7
515.09406	0.8
517.11230	5.3
525.07843	0.6
527.10046	2.3
529.10822	0.8
531.12646	1.1
533.11078	0.4
535.12189	6.1
539.09503	0.6
541.11261	3.7
543.09045	1.4
545.10596	3.8
553.10291	0.5
557.10406	1.2
559.12274	5.4
561.13550	0.6
569.10138	0.8
571.11823	1.3
575.11682	1.1
577.13342	9.7
578.12915	0.5
579.14880	14.8
580.14722	0.6
587.11499	0.6
589.12927	0.9
677.12042	1.4
679.14642	1.9
695.13751	1.9
697.05713	0.4
697.15533	5.0
698.14777	0.5
699.16364	0.8
715.16400	3.2
815.14911	0.9
833.15948	1.4
867.21234	0.7
967.19788	0.6
985.20361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0715
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
50.85345	0.9
53.03938	1.3
53.49420	1.0
54.04282	1.1
55.01872	1.9
55.05503	3.0
56.05029	25.5
56.96560	41.9
57.03417	3.7
61.02909	3.4
65.03925	3.2
67.05497	1.0
68.00255	0.9
68.05025	12.1
68.95277	2.5
69.03412	2.8
69.04546	1.5
70.06589	5.0
71.52273	1.5
71.95245	4.4
77.00781	4.2
81.03412	2.4
81.04536	9.5
82.03746	2.3
82.05312	19.1
82.06562	4.0
83.00769	2.9
83.05041	2.1
83.06095	100.0
84.01547	1.9
84.06385	1.0
84.96012	1.4
85.02911	1.4
86.01292	1.5
87.04295	1.2
89.00780	1.6
92.01286	1.5
92.12872	0.9
92.78954	1.0
93.04519	61.9
94.02921	2.7
94.06581	1.5
95.04510	1.0
98.01298	1.2
98.97572	12.3
100.02464	4.8
105.00364	1.3
109.04010	2.1
110.06053	16.4
110.07156	81.8
110.09651	1.5
110.97565	3.3
111.04436	3.4
111.05552	17.4
111.07504	1.2
111.09193	8.8
114.62761	1.0
116.98619	6.6
118.03517	3.3
128.98598	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	1155.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03405	5.4
83.04961	1.8
85.02896	1.0
89.03897	7.9
91.05454	2.1
93.03379	1.5
95.04956	4.9
98.21454	0.7
99.04467	1.2
101.24642	0.6
103.05458	2.3
105.03370	2.5
107.04936	14.0
109.02866	5.1
111.00053	0.9
111.00787	11.9
111.04425	18.3
115.05408	2.8
117.03382	4.3
117.07016	0.7
119.04926	4.3
121.02860	4.0
123.04410	93.6
124.04768	1.2
127.03897	94.7
128.04198	1.4
128.06209	0.7
129.07014	0.9
131.04913	6.1
133.02765	1.0
133.06543	0.8
135.04395	100.0
136.04698	2.2
137.02321	7.9
137.05965	1.3
139.03880	71.6
140.04190	1.0
141.06973	2.0
143.04890	2.0
145.02818	1.7
145.03857	0.5
145.06459	1.8
147.04396	12.3
149.02322	10.5
149.05980	4.0
150.03058	1.7
151.03880	28.6
152.04376	1.0
153.01808	1.9
153.05406	0.8
153.07013	0.9
155.03624	0.6
155.04869	3.7
157.06480	2.1
159.04410	5.5
161.02325	1.4
161.05945	6.6
163.03879	84.1
164.04266	1.8
165.01794	1.9
165.05496	5.0
165.06812	0.9
167.03413	6.1
167.04739	1.0
169.04932	3.7
169.06467	3.0
171.04382	1.4
173.02307	1.2
173.05951	8.6
175.03864	6.9
175.07513	0.7
176.04535	0.6
177.01898	0.7
177.05464	11.0
179.03374	17.3
179.06871	0.6
181.04913	2.2
181.06441	1.7
183.04422	3.5
185.05959	3.9
187.03859	12.9
187.07477	1.0
188.04323	0.7
189.01820	1.3
189.05437	5.3
191.03371	13.8
191.07016	1.0
193.04948	4.0
193.06473	0.9
197.05956	7.1
199.03877	1.8
199.07561	1.0
200.04602	0.9
201.03535	0.8
201.05450	16.2
202.05965	0.8
203.03357	22.1
203.06938	4.1
204.03954	0.7
205.04926	4.1
207.02841	1.2
207.06467	0.9
209.05957	1.6
211.03831	1.3
211.07478	1.3
213.05371	5.3
215.03398	5.7
215.06918	5.0
217.04916	4.6
219.06427	3.9
221.04250	1.2
221.06091	0.9
223.02281	3.8
225.05417	4.5
227.03362	1.3
227.06979	2.1
229.04922	22.4
230.05434	1.0
231.02786	1.6
231.06438	8.5
233.04398	6.0
235.02235	1.2
236.40575	0.6
237.05414	2.4
239.06961	1.4
241.04892	6.7
242.05582	0.8
243.02774	1.2
243.06445	7.5
244.03600	1.4
245.04424	88.7
246.04753	2.6
247.05984	80.2
248.06250	2.3
249.05373	1.7
251.05318	0.8
253.04901	6.0
254.05585	0.9
255.06400	5.3
257.04416	28.2
258.05118	5.1
259.05984	14.9
259.08710	0.8
260.06589	0.8
261.07571	5.3
263.05219	3.9
265.04938	2.6
267.06503	2.5
269.04462	10.5
270.04926	1.6
271.05954	45.2
272.06305	2.0
273.03967	1.7
273.07510	4.6
274.04544	3.8
275.05420	22.6
276.05917	0.7
277.04907	1.4
279.06461	1.4
281.04474	3.9
282.05060	1.0
283.05972	14.4
284.06387	0.7
285.03857	4.8
285.07492	3.0
286.04657	1.1
287.05441	39.2
288.05713	2.3
289.07019	53.4
290.07303	2.1
291.08636	21.1
293.04321	1.3
295.05917	6.6
297.03802	6.1
297.07501	2.1
299.05435	11.1
301.07013	15.1
302.07538	0.6
303.05099	1.3
303.08841	2.5
307.05890	1.5
309.03772	2.1
309.07129	1.0
311.05511	5.6
313.07016	6.7
315.05609	0.6
317.07733	2.3
319.05783	1.3
321.03943	0.9
321.07458	2.5
323.05426	5.2
323.08917	0.7
325.06891	1.5
327.05035	1.5
329.06512	1.6
331.08310	4.0
333.07443	1.6
335.05295	1.2
337.07001	1.5
339.04782	1.6
339.08600	1.7
341.06491	1.7
345.07419	1.7
347.05286	1.0
349.06805	1.0
351.04846	2.1
351.08698	0.8
361.06909	3.5
363.04822	1.2
363.08566	3.6
365.06357	2.8
367.07849	1.5
373.06973	1.5
375.04587	1.0
375.08795	1.3
377.06540	2.7
379.08102	10.9
381.05682	1.2
381.09778	1.5
383.07709	2.9
387.08496	0.8
389.06537	6.5
391.08105	6.5
393.05682	6.4
393.09662	0.9
395.07663	4.0
396.08179	1.5
397.09164	10.5
401.06299	2.4
403.08105	1.9
405.05319	3.9
405.10162	1.2
407.07556	33.2
408.07928	1.9
409.09116	42.3
410.09225	1.4
411.10715	5.3
413.06808	1.1
415.08453	1.2
419.07629	7.8
421.09204	6.9
423.11371	1.0
425.08643	27.1
426.08676	1.0
427.10220	19.6
431.07584	2.3
433.09277	8.2
435.11203	1.0
437.08676	13.1
439.10251	3.0
441.06055	0.7
443.09338	1.0
449.08667	5.3
451.10196	19.3
453.11877	3.0
467.09515	1.3
469.11148	1.4
485.10843	0.9
511.06100	0.8
517.11267	4.7
527.09552	2.9
529.10968	1.0
531.12585	1.4
535.12415	4.7
541.11432	4.2
543.09473	2.3
545.10638	4.8
553.11041	1.2
555.08820	0.6
557.10620	1.3
559.12341	9.5
561.13312	1.8
569.10632	1.4
571.12488	4.1
573.14288	0.5
577.13293	28.2
578.13068	1.6
579.14905	24.0
580.14679	0.9
587.11627	1.6
589.12848	3.2
621.15009	1.5
677.12732	3.3
679.14526	2.9
680.64227	0.6
695.14026	7.8
697.15424	5.6
699.17078	1.4
707.13165	0.9
713.14337	0.9
715.16467	3.0
741.18121	0.8
815.15204	1.0
833.16077	1.1
867.20325	1.1
985.20367	1.8
1064.64551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02362	1.5
53.00286	0.7
53.03938	21.1
55.01865	8.3
55.05501	4.8
56.04985	0.4
65.03929	6.5
66.04700	1.3
67.05494	36.7
68.05024	4.7
68.05819	0.8
69.02374	0.4
69.03398	0.6
69.04523	2.2
69.07061	2.7
69.84520	1.4
69.84916	1.1
70.04665	0.5
79.05480	44.7
80.05007	1.1
81.03405	33.8
81.07041	43.3
82.03739	0.9
82.06577	3.8
82.07365	0.8
83.06083	1.0
85.07692	0.4
87.00472	2.6
88.48851	0.4
91.05469	13.6
92.04985	1.2
93.04525	0.6
94.04171	4.7
95.04946	1.2
107.04945	1.7
107.08561	1.1
109.02863	7.6
109.06499	100.0
109.07569	8.3
109.10135	17.0
110.06022	7.1
110.07121	7.9
111.04442	0.5
113.96381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02375	3.5
53.00287	1.8
53.03943	62.9
55.01868	9.2
55.05506	9.3
65.01363	0.9
65.03934	12.4
66.04721	1.5
67.04245	1.9
67.05499	83.3
68.05027	14.6
69.03436	1.6
69.04550	6.6
69.07056	4.4
69.97503	5.7
79.05486	46.5
80.05003	1.6
80.06268	1.9
81.03412	100.0
81.07050	58.9
82.03764	2.0
82.06564	8.3
83.06084	1.9
83.41045	0.9
86.20000	1.0
87.00458	5.5
91.05475	11.7
92.04993	2.9
92.20997	1.2
94.04182	6.8
94.07832	1.0
95.04957	1.8
98.21424	1.3
98.51228	1.8
107.04948	2.4
107.08595	2.4
109.02879	23.1
109.06512	87.3
109.07635	27.2
109.10147	38.9
110.06030	14.2
110.07152	24.9
113.96387	2.5
129.22789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02370	1.7
53.00288	0.5
53.03942	21.8
55.01863	8.5
55.05505	5.2
55.93551	0.4
56.05024	0.3
65.03935	6.6
66.04708	1.3
67.05497	36.9
68.05017	4.9
68.05826	0.7
69.03422	0.5
69.04543	2.7
69.07049	2.7
71.07795	0.7
73.80029	0.3
78.67649	0.4
79.05485	41.6
80.05027	0.7
80.06249	0.4
81.03410	30.5
81.07046	44.4
82.03726	0.6
82.06577	3.5
82.07350	0.6
83.06088	0.9
86.00679	0.6
87.00444	2.7
91.04902	0.8
91.05470	14.7
92.04997	0.8
92.05820	0.7
93.04496	0.8
94.04182	4.5
95.04941	1.3
96.00957	0.7
105.04491	0.5
105.76803	0.4
107.04954	1.6
107.08574	1.2
109.02867	7.0
109.06505	100.0
109.07572	7.2
109.10143	15.5
109.10723	0.4
110.06024	7.8
110.07137	10.6
111.04461	0.5
113.96411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02364	1.0
53.03944	14.8
55.01854	1.0
55.05504	10.4
65.03928	5.2
67.05499	100.0
68.05827	2.8
68.62592	0.9
69.07063	6.6
69.25973	7.2
70.16665	0.8
72.93777	3.8
77.99936	1.0
78.32840	0.8
79.05480	12.1
80.06256	2.1
81.03408	20.9
81.07050	39.8
82.03723	1.0
82.06590	1.6
82.07388	0.9
85.75266	0.8
86.00672	2.8
86.50607	1.5
87.00458	35.1
89.50701	1.0
90.94827	1.7
91.05468	1.2
94.04144	1.7
94.07828	1.7
96.00971	7.3
98.51243	11.6
107.05022	0.8
107.08580	3.2
108.95806	1.3
109.02862	5.9
109.06521	5.3
109.07632	1.3
109.10147	41.1
110.02038	1.5
110.06039	9.9
110.07201	1.2
110.10480	1.4
111.96840	1.1
113.96389	13.8
129.97879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01583	0.3
51.02376	1.2
53.03942	10.0
54.04278	0.2
55.01867	2.1
56.96553	0.5
65.03939	1.7
66.03458	0.7
67.03882	0.3
67.04242	5.6
67.05474	0.4
71.52244	0.4
77.03920	1.6
79.05487	17.1
80.05010	9.3
80.05774	0.5
81.03413	1.6
81.04527	0.5
91.05474	12.8
92.03741	0.4
92.06274	0.4
93.05771	1.0
95.04961	16.4
96.04482	1.0
96.05277	0.3
105.04512	5.0
105.07011	3.3
106.06567	0.5
107.04948	100.0
107.05984	5.7
107.08569	3.6
108.04473	1.8
108.05320	2.7
108.08095	1.9
109.06519	1.9
111.56140	0.2
113.12962	0.2
119.06074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02387	0.4
53.03941	4.3
55.01873	0.7
55.05507	0.6
65.03936	14.1
66.04260	0.5
67.05500	5.6
69.44043	0.5
69.44368	3.9
77.03921	1.0
79.05486	39.0
80.05011	2.9
80.05827	1.1
91.05472	100.0
92.05796	1.7
92.06290	3.2
93.05779	1.4
95.04959	5.9
95.14738	0.4
96.04450	0.5
98.20756	0.7
103.05482	0.8
105.04510	1.6
105.07021	24.2
107.04950	14.4
107.06086	0.6
107.08582	30.9
108.04459	1.9
108.08114	2.4
108.08842	0.7
109.06509	11.9
112.55653	0.5
119.06056	5.5
121.31526	0.6
124.05225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02373	1.2
53.00301	0.5
53.03942	22.3
54.03435	0.5
54.04261	0.5
55.01634	0.5
55.01868	6.7
55.05503	4.4
55.69031	0.5
56.05022	0.7
65.03616	0.5
65.03937	7.4
66.04714	1.3
67.01827	0.4
67.02986	0.5
67.04244	1.0
67.05499	29.9
68.04680	0.9
68.05021	9.9
69.03421	0.7
69.04539	1.6
69.07051	1.7
70.78872	0.9
70.79205	0.5
75.92584	0.4
79.05485	39.2
80.05009	1.3
80.05789	1.0
80.06245	0.6
81.03411	30.4
81.07046	41.5
82.03730	0.5
82.06575	6.6
82.07339	0.8
87.00452	1.2
87.47654	0.4
91.05476	14.2
92.04989	1.3
92.05820	0.6
93.79835	0.5
94.04179	7.7
95.04964	1.0
96.18111	0.4
107.04961	2.3
107.08614	0.9
109.02869	6.8
109.06506	100.0
109.07603	17.1
109.10145	12.5
110.03620	0.6
110.06075	5.8
110.07213	5.0
111.04434	0.6
113.96407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02369	1.3
51.05429	0.3
53.03940	17.8
54.04261	0.3
55.01862	7.4
55.05499	2.6
55.94581	0.3
56.05025	0.6
57.50491	0.3
60.71442	0.4
65.03926	6.1
66.04710	1.5
66.87674	0.4
67.04230	0.6
67.05127	0.8
67.05494	16.1
68.05014	5.3
69.04537	1.7
69.07045	1.2
69.72827	2.5
79.05481	41.3
80.05013	0.5
80.05814	1.0
81.03408	22.7
81.07043	38.2
82.03732	0.5
82.06554	2.9
82.07377	1.0
83.06078	0.4
87.00426	0.7
91.05466	12.6
92.05008	0.8
92.05820	0.4
94.04170	4.9
95.04952	1.4
95.30624	0.4
95.92388	0.4
98.21587	0.5
107.04932	1.6
107.08624	0.9
109.02869	5.0
109.06500	100.0
109.07578	10.2
109.10142	6.4
110.06100	3.5
110.07191	5.2
111.04404	0.6
113.96413	0.6
114.39983	0.4
117.87214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02361	2.2
53.03712	1.3
53.03942	14.8
61.08494	1.1
64.18452	0.8
65.03923	3.0
77.03918	3.6
79.05482	48.8
81.03394	1.9
95.04951	28.1
103.04916	0.8
103.05449	32.6
105.04506	7.9
105.07014	100.0
105.11051	6.1
106.06548	2.0
106.07360	3.1
116.25665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	0.4
51.02365	1.2
53.03941	11.2
54.03477	0.4
55.01864	2.0
56.96561	6.4
62.65735	0.3
64.95554	0.3
65.03927	1.5
66.03445	0.5
66.04728	0.2
67.04241	6.1
67.05488	0.8
69.03410	0.4
69.06563	0.3
69.87707	1.6
77.03913	1.9
79.05485	100.0
80.05012	9.8
80.05813	2.3
80.06256	1.2
81.03423	1.5
81.04527	0.4
83.00762	1.4
89.03936	0.4
90.04683	1.3
91.05471	10.2
91.06025	0.6
92.01287	0.8
92.03739	0.5
93.05760	0.7
95.04957	21.2
96.04482	0.9
96.05284	0.7
98.97558	0.3
105.04510	6.0
105.07001	2.6
106.06544	0.6
107.04945	56.2
107.06001	5.7
107.08559	2.2
108.04450	2.0
108.05778	4.1
108.08098	2.5
109.06495	1.4
119.06054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.7
50.39888	0.2
51.02377	6.4
53.00307	0.4
53.03944	45.8
54.04285	0.8
55.01872	3.2
57.04571	0.2
60.04535	0.4
60.96953	0.2
61.08491	0.2
64.73856	0.2
65.03928	0.4
67.05501	0.6
68.99799	0.4
69.51431	1.6
73.55932	0.2
77.03925	10.6
79.05489	5.5
79.05838	0.1
81.03416	6.1
86.24370	0.2
89.89964	0.2
92.92007	0.2
95.04961	100.0
96.04468	0.3
96.05295	1.5
96.47595	0.2
98.21456	0.4
103.05469	4.1
105.03382	50.1
105.04501	27.9
105.07014	11.1
105.11044	0.7
106.03681	1.0
106.04842	0.5
106.06571	1.8
106.07225	0.4
106.21250	0.2
108.02060	0.4
113.63028	0.2
118.06522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	1.9
52.81030	0.9
53.03943	14.8
55.01854	1.4
55.81147	0.9
58.88507	0.9
60.08154	4.7
61.08493	6.5
61.08739	1.1
65.03935	2.4
72.40192	1.1
77.03921	2.7
79.05486	50.2
87.47948	1.5
95.04953	20.2
98.20742	2.4
103.05456	31.3
105.04530	7.7
105.07022	100.0
105.10403	2.5
105.11057	21.8
106.06593	2.0
106.07349	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01594	0.7
51.02381	2.3
52.21645	0.3
53.00278	0.3
53.03944	12.8
55.01858	0.8
60.88586	0.3
64.43587	0.3
70.41451	0.3
70.96957	0.9
77.03928	3.7
77.33375	0.3
78.08523	0.3
79.05487	54.5
80.05824	1.3
81.03419	1.1
82.55389	0.3
94.75575	0.3
95.04961	22.7
95.33248	0.3
96.05305	0.3
103.05458	40.2
104.05813	1.4
105.04520	6.2
105.07021	100.0
106.07342	2.8
111.54479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.2
50.33552	0.6
51.02383	4.1
53.03941	27.2
55.01865	1.6
56.05024	1.7
56.96553	1.2
57.03429	1.1
57.04539	0.7
57.05360	1.7
58.06575	2.2
59.06104	3.0
60.04506	0.9
60.08161	1.0
60.95833	0.9
62.06083	3.6
63.18679	0.7
66.03579	0.6
70.58086	1.6
73.07663	0.8
77.03924	5.7
81.03410	3.2
85.02914	1.8
85.07656	1.1
86.06059	2.7
95.04958	43.4
99.75921	0.6
102.04672	4.3
102.96873	0.9
103.03973	2.3
103.05457	100.0
103.08694	7.1
104.05798	2.4
104.10737	2.8
105.04508	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	5.8
58.06882	0.3
59.07371	1.8
60.08156	54.8
61.08495	0.4
69.71832	1.0
74.81638	0.2
86.09634	0.2
87.04459	0.2
104.10728	100.0
105.11062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
56.96558	0.5
58.06308	0.4
58.06593	6.0
59.07376	1.6
60.08158	52.7
61.01160	0.3
61.08495	0.5
69.03429	0.3
69.71825	1.3
74.06071	0.8
86.06055	0.4
86.09715	0.2
87.04469	0.4
99.77419	0.2
104.10732	100.0
105.11057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72843	0.1
71.04991	0.2
78.04720	0.3
79.05473	0.1
81.03407	3.0
85.02898	0.4
86.40118	0.1
89.03906	5.4
91.05476	0.4
95.04967	0.2
97.02881	1.4
98.20878	0.1
99.04436	0.5
103.05455	0.2
106.04185	0.1
109.01788	0.2
109.02864	10.9
117.03365	14.4
119.04891	0.2
121.17417	0.1
127.03899	5.6
128.47021	0.1
134.03621	1.2
135.04411	1.1
139.03885	0.5
145.02827	35.8
146.03166	0.4
147.04424	0.3
149.05962	5.2
158.06017	0.3
162.03088	0.2
163.03870	0.4
169.04955	1.8
177.05447	100.0
178.05760	1.0
186.05479	1.7
187.05927	0.2
215.61940	0.1
229.07051	1.1
259.09561	0.3
285.07376	0.3
289.09122	0.3
303.08621	1.7
307.56146	0.1
355.08234	0.3
455.14136	0.1
479.13425	0.8
479.19019	0.1
561.95087	0.1
691.19745	0.8
733.69934	0.1
926.89862	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.00281	0.3
53.03942	1.1
53.24377	0.2
53.54530	0.2
55.01867	3.8
55.05508	9.7
56.05032	15.1
56.05845	0.7
56.96560	69.7
57.03433	5.3
57.04561	1.1
57.05811	0.8
57.07063	0.4
58.00587	0.3
58.02958	0.4
58.05332	0.4
58.06596	6.1
58.96162	5.3
58.99586	0.5
58.99858	1.8
59.05004	3.0
59.06118	19.1
59.07359	0.5
59.52197	0.4
59.93095	1.6
59.96172	2.6
59.99940	0.6
60.04518	4.4
60.95847	18.8
60.99620	0.3
61.02919	1.5
62.36311	0.3
63.44818	0.3
66.00504	0.4
67.05492	0.7
67.51068	0.3
68.00253	2.3
68.02650	1.6
68.05022	0.4
68.99798	0.7
69.01926	0.3
69.03413	1.4
69.04550	1.0
70.98120	1.9
70.99850	0.7
71.01349	2.4
71.04993	1.4
71.51951	0.4
71.95256	4.3
72.04512	0.6
72.06893	0.6
72.08151	7.3
72.96036	0.3
73.02912	6.7
73.06557	0.4
73.08492	0.8
73.94855	1.2
74.00253	0.7
74.00644	0.5
74.02434	3.6
74.06073	3.7
74.09716	1.4
74.97598	2.0
75.01039	2.8
76.51569	0.6
77.00801	11.0
78.00977	0.9
78.52960	0.8
79.00698	0.4
79.01863	1.5
79.51041	0.3
80.52675	0.4
81.01015	0.3
81.03415	0.7
81.53458	0.4
82.99834	0.6
83.00777	4.7
83.01493	1.1
83.04971	4.7
83.06090	1.3
83.06903	0.6
83.97627	1.0
84.01202	0.3
84.01572	2.9
84.04501	4.3
84.06879	0.7
84.08143	3.7
84.96036	1.5
85.02383	0.3
85.02889	3.9
85.51945	0.2
86.01299	2.4
86.06040	0.6
86.52709	0.3
87.01920	0.4
87.52611	0.3
88.02368	0.7
88.51586	0.9
88.99149	1.6
89.00250	0.6
89.00782	2.9
89.03475	0.3
89.52319	0.4
89.96281	0.3
90.01541	2.0
92.01305	1.8
92.02619	0.3
94.51575	0.5
95.01359	0.5
95.01916	2.1
96.02061	0.7
97.02345	0.3
97.02903	0.7
97.96786	0.6
97.99172	0.6
98.00749	0.9
98.01292	3.3
98.03075	0.3
98.51010	0.5
98.52757	1.1
98.97577	6.8
99.02056	1.4
100.02476	4.9
100.97190	1.2
100.97959	0.6
101.00875	12.1
101.01714	3.5
101.02533	13.6
101.06030	2.0
101.07144	4.5
101.07926	0.8
101.10780	0.9
101.98638	0.4
102.00953	0.3
102.02235	6.0
102.02882	0.3
102.03746	0.4
102.05544	2.7
102.09174	1.8
102.12814	3.5
102.97054	0.4
103.02442	0.5
103.03924	0.3
107.00184	0.8
107.01818	0.7
109.07627	0.3
109.52031	0.4
110.03676	0.6
110.97577	1.1
115.01186	0.7
116.00159	0.3
116.98614	7.8
117.95977	1.0
118.03516	3.4
118.98193	1.1
119.01912	100.0
119.03612	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.00281	0.3
53.03942	1.1
53.24377	0.2
53.54530	0.2
55.01867	3.8
55.05508	9.7
56.05032	15.1
56.05845	0.7
56.96560	69.7
57.03433	5.3
57.04561	1.1
57.05811	0.8
57.07063	0.4
58.00587	0.3
58.02958	0.4
58.05332	0.4
58.06596	6.1
58.96162	5.3
58.99586	0.5
58.99858	1.8
59.05004	3.0
59.06118	19.1
59.07359	0.5
59.52197	0.4
59.93095	1.6
59.96172	2.6
59.99940	0.6
60.04518	4.4
60.95847	18.8
60.99620	0.3
61.02919	1.5
62.36311	0.3
63.44818	0.3
66.00504	0.4
67.05492	0.7
67.51068	0.3
68.00253	2.3
68.02650	1.6
68.05022	0.4
68.99798	0.7
69.01926	0.3
69.03413	1.4
69.04550	1.0
70.98120	1.9
70.99850	0.7
71.01349	2.4
71.04993	1.4
71.51951	0.4
71.95256	4.3
72.04512	0.6
72.06893	0.6
72.08151	7.3
72.96036	0.3
73.02912	6.7
73.06557	0.4
73.08492	0.8
73.94855	1.2
74.00253	0.7
74.00644	0.5
74.02434	3.6
74.06073	3.7
74.09716	1.4
74.97598	2.0
75.01039	2.8
76.51569	0.6
77.00801	11.0
78.00977	0.9
78.52960	0.8
79.00698	0.4
79.01863	1.5
79.51041	0.3
80.52675	0.4
81.01015	0.3
81.03415	0.7
81.53458	0.4
82.99834	0.6
83.00777	4.7
83.01493	1.1
83.04971	4.7
83.06090	1.3
83.06903	0.6
83.97627	1.0
84.01202	0.3
84.01572	2.9
84.04501	4.3
84.06879	0.7
84.08143	3.7
84.96036	1.5
85.02383	0.3
85.02889	3.9
85.51945	0.2
86.01299	2.4
86.06040	0.6
86.52709	0.3
87.01920	0.4
87.52611	0.3
88.02368	0.7
88.51586	0.9
88.99149	1.6
89.00250	0.6
89.00782	2.9
89.03475	0.3
89.52319	0.4
89.96281	0.3
90.01541	2.0
92.01305	1.8
92.02619	0.3
94.51575	0.5
95.01359	0.5
95.01916	2.1
96.02061	0.7
97.02345	0.3
97.02903	0.7
97.96786	0.6
97.99172	0.6
98.00749	0.9
98.01292	3.3
98.03075	0.3
98.51010	0.5
98.52757	1.1
98.97577	6.8
99.02056	1.4
100.02476	4.9
100.97190	1.2
100.97959	0.6
101.00875	12.1
101.01714	3.5
101.02533	13.6
101.06030	2.0
101.07144	4.5
101.07926	0.8
101.10780	0.9
101.98638	0.4
102.00953	0.3
102.02235	6.0
102.02882	0.3
102.03746	0.4
102.05544	2.7
102.09174	1.8
102.12814	3.5
102.97054	0.4
103.02442	0.5
103.03924	0.3
107.00184	0.8
107.01818	0.7
109.07627	0.3
109.52031	0.4
110.03676	0.6
110.97577	1.1
115.01186	0.7
116.00159	0.3
116.98614	7.8
117.95977	1.0
118.03516	3.4
118.98193	1.1
119.01912	100.0
119.03612	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
56.05030	41.7
56.96559	13.0
57.03426	2.0
57.04552	7.6
58.02952	1.6
58.05331	1.3
58.06592	2.9
58.96153	3.7
59.04990	1.4
59.06117	100.0
59.96159	1.3
60.04518	23.4
60.95844	10.3
68.02647	1.0
68.04988	0.9
69.04557	1.1
71.28751	2.4
72.06878	3.0
72.08159	2.2
73.07677	1.3
74.02452	1.3
74.06071	7.9
76.51577	1.7
77.00818	1.0
78.01008	1.4
79.01845	3.7
82.01471	1.1
83.01502	4.3
83.06100	8.9
84.01162	1.4
84.04491	9.8
84.06876	1.4
84.08122	1.0
84.57656	0.9
85.02945	1.2
85.46674	0.8
86.03519	0.8
88.02372	2.6
97.02901	1.1
100.02477	4.3
100.97184	1.9
101.00851	11.0
101.02540	19.4
101.06021	1.0
101.07123	21.3
102.02222	7.5
102.05563	1.7
118.03510	2.3
118.98214	1.1
119.01908	62.7
119.03594	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	998.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81469	100.0
99.51149	40.3
178.83951	43.4
249.58716	39.5
505.99976	38.9
696.95111	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18047	0.3
69.18443	1.3
74.02331	0.1
75.24746	0.1
77.03838	0.7
79.01763	0.6
81.03320	0.2
83.01241	0.6
84.31357	0.1
85.02827	0.4
93.03333	0.3
95.01270	0.3
97.02804	0.6
99.00811	0.2
105.03333	0.9
107.01271	0.7
107.54050	0.2
108.02083	0.1
109.02835	2.2
117.03336	0.2
119.04910	0.9
121.02851	1.8
123.00733	0.4
123.04437	0.2
125.02327	1.4
132.02063	0.5
133.02843	13.7
134.03572	0.5
135.00751	0.5
135.04424	1.8
137.02354	0.5
145.02843	0.3
147.04416	1.5
148.01570	0.2
149.02359	2.0
151.00240	0.9
151.03926	0.7
159.04411	0.2
161.02357	1.6
163.00273	1.7
163.03909	4.1
164.04228	0.2
165.01852	2.0
171.04439	0.4
173.02380	0.7
173.06015	0.2
174.03127	0.2
175.00360	0.2
175.03925	3.7
177.01880	1.1
179.03337	0.3
183.04422	0.2
183.08118	0.2
183.23061	0.2
185.06015	0.5
187.03877	0.2
189.01920	0.4
189.05498	0.4
190.02724	0.2
191.01912	0.2
191.03442	1.9
193.01357	1.9
196.05119	0.2
197.05963	0.4
198.03053	0.3
199.03922	1.6
199.07631	0.3
200.04446	0.2
201.01840	1.5
201.05533	0.2
203.03424	0.4
209.06047	0.4
211.03899	0.8
211.07530	0.3
212.04735	0.5
213.05525	1.6
215.03448	0.5
217.05049	0.6
224.04851	0.2
225.05533	0.9
226.02740	0.3
226.06316	0.3
227.03442	0.7
227.07047	0.5
228.04260	0.2
228.07690	0.1
229.01398	0.3
229.04988	0.6
231.06534	0.4
236.04720	0.2
237.05580	0.3
239.03535	0.2
239.07217	0.2
240.04230	1.4
241.04988	1.0
242.02196	0.4
243.02937	0.6
243.06644	0.4
251.03452	0.2
253.05057	1.2
254.05557	0.3
255.02904	1.4
255.06560	0.7
256.03720	0.6
257.04489	0.7
259.06064	0.2
265.04913	0.3
267.02792	0.3
267.06503	0.2
269.04526	1.2
270.05280	0.5
271.06003	0.5
281.04520	0.6
282.05121	0.2
283.06003	0.3
284.03250	10.7
285.04022	15.2
286.04355	1.2
297.04028	14.2
298.04773	9.1
299.05582	21.3
300.02652	0.6
300.05960	1.3
301.03452	0.5
309.04044	1.6
310.04623	0.3
311.05606	2.6
324.02762	0.5
325.03397	1.1
327.05078	93.2
328.05417	7.9
337.03610	0.2
337.07275	0.2
339.05023	3.0
340.05368	0.4
341.06607	0.9
351.04843	0.3
357.06140	15.5
358.06335	1.2
365.06561	0.4
369.06085	2.0
393.06061	1.3
411.07043	0.6
429.08234	2.8
430.08319	0.3
447.09201	1.3
461.07251	4.6
462.07538	0.3
489.10361	100.0
490.10706	11.8
533.12512	0.5
609.14514	0.6
718.59290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	0.3
69.46858	0.6
69.47258	0.7
71.01268	0.4
73.02824	0.5
75.54420	0.2
78.57296	0.2
87.00735	0.3
89.03839	0.5
96.38105	0.2
101.02339	0.3
104.02566	0.7
108.02074	0.3
113.02288	0.3
117.03345	0.9
119.04925	0.8
121.02879	0.4
125.02336	0.6
132.02058	35.5
133.01532	0.2
133.02914	3.3
134.03627	11.9
135.04422	1.5
136.01489	0.3
137.02335	0.7
147.04384	0.4
149.05972	1.9
159.04405	0.5
160.01561	100.0
161.02307	10.1
162.02812	0.4
173.02374	0.4
174.03242	0.3
175.03912	79.8
176.04257	3.7
178.02631	1.9
179.03337	1.0
187.03979	0.6
188.04677	0.4
189.05428	0.3
193.04976	7.9
194.05298	0.3
202.02489	0.3
207.06589	0.2
217.04912	0.3
235.05983	0.3
247.06090	0.7
265.07272	0.4
275.17471	0.2
301.07175	0.5
319.08337	1.1
337.09235	0.3
344.69086	0.2
395.89447	0.2
441.11652	0.3
513.13977	1.9
529.98932	0.3
583.17212	0.2
625.17877	0.2
689.18805	0.4
717.20483	0.5
741.20001	0.3
759.21387	1.9
760.21783	0.4
774.74487	0.2
777.22375	2.8
778.22589	0.3
801.22455	2.2
802.22186	0.3
819.23657	5.9
820.23700	1.2
893.24878	0.6
935.26086	4.9
936.25745	1.2
953.27014	3.9
954.26898	1.1
995.28180	21.4
996.28662	5.9
996.44281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.7
71.01264	1.6
71.44720	1.2
77.04870	0.8
82.13281	0.7
87.00771	1.0
93.03278	0.9
113.02364	0.9
117.03347	27.9
118.03706	1.5
119.04913	10.3
125.02331	1.2
125.61642	0.8
132.02058	29.9
133.02863	1.3
134.03622	8.9
135.04341	1.1
137.02315	0.9
145.02853	78.1
146.03166	3.6
149.05966	1.3
160.01566	97.3
161.02173	8.1
163.03912	6.6
175.03915	100.0
176.04247	4.2
178.02592	1.8
179.03401	1.2
193.04976	9.6
217.04951	2.4
265.07065	1.2
367.29559	0.8
385.27835	0.8
483.13110	4.7
601.17236	1.0
687.19501	2.3
729.19995	1.2
747.21344	27.7
748.21930	3.3
777.22583	4.6
863.24133	4.6
881.25867	1.3
894.18140	1.0
923.26123	56.2
924.26660	13.8
961.74036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.9
69.28738	1.8
69.29147	0.6
71.01254	11.1
71.04897	0.5
72.99191	0.8
73.02811	1.6
78.95751	0.3
81.03336	0.7
83.01269	1.8
84.02036	0.6
85.02821	10.1
87.00755	2.3
89.02320	9.8
95.01254	1.1
95.04889	0.8
96.95885	1.3
97.02820	2.5
97.06464	1.6
98.20565	0.6
99.00765	0.8
101.02324	7.3
111.07966	0.4
113.02339	4.6
119.03390	2.5
119.08521	0.4
125.02335	3.2
125.05970	0.6
125.09599	0.6
127.11183	0.5
129.23648	0.3
131.03410	0.5
135.07974	0.3
137.09627	2.3
141.84038	0.3
143.03387	1.5
155.10696	0.4
161.04449	2.1
167.03481	0.3
171.10176	20.6
172.10533	0.7
177.12796	0.6
179.05516	4.0
183.13818	7.0
184.14111	0.4
185.11745	1.0
193.12149	0.5
195.13861	0.8
197.11758	0.6
201.11214	1.0
209.11699	1.5
211.11475	0.6
211.13338	8.5
217.06888	0.3
221.06619	1.4
221.11749	1.2
223.17010	0.3
229.14407	4.2
229.16579	0.5
235.08228	3.4
239.12898	0.8
239.16505	0.4
251.16542	1.9
253.09212	0.8
269.17627	0.7
275.20184	0.4
277.21735	18.0
278.22037	0.9
287.07709	1.2
291.19687	3.7
305.08804	1.3
309.20721	12.6
310.21173	1.2
327.21750	100.0
328.22095	7.0
351.21558	0.9
379.12387	0.8
397.13495	22.2
398.13828	1.3
415.14575	14.3
416.14722	1.1
545.29333	0.5
587.43079	2.3
649.60669	0.3
675.35907	1.2
707.34772	5.6
708.35156	0.7
725.35956	5.2
726.35974	0.8
985.57123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	0.5
69.32484	1.4
69.32893	0.7
71.01254	9.3
72.99187	1.8
73.02799	0.9
75.00742	3.5
83.01256	0.9
84.02040	0.6
85.02823	19.5
87.00750	3.2
89.02308	1.2
95.01260	5.4
99.00757	5.8
101.02296	0.3
103.00255	2.9
107.01270	0.5
109.02834	0.4
111.00767	0.8
111.89742	0.3
113.02331	33.7
115.00240	1.4
117.01815	1.9
121.02841	0.7
125.02361	0.3
129.01819	1.2
133.01378	0.4
133.02844	2.5
135.04367	0.8
137.02264	0.4
139.00235	0.7
151.00229	0.9
156.27257	0.3
157.01308	0.9
161.02298	0.7
163.03966	0.5
165.01842	1.3
175.02406	15.5
175.03896	1.0
191.01753	0.3
199.03870	0.7
201.01843	0.5
211.04019	0.5
212.04733	0.7
213.05544	0.4
227.03477	1.0
229.05200	0.4
231.06523	0.5
240.04128	0.6
255.03012	0.6
255.06535	0.6
256.03781	2.2
271.02448	8.7
272.02832	0.4
284.03250	38.3
285.03751	3.9
297.04025	0.5
298.04691	0.6
299.02011	21.8
299.05585	100.0
300.02359	1.5
300.05923	7.0
311.05737	0.3
313.03580	2.2
314.04303	17.5
315.04739	1.5
329.06650	51.6
330.07065	3.0
341.06711	1.2
371.07623	1.2
383.07779	0.3
401.09006	0.3
475.08807	56.0
476.09204	5.0
489.10901	0.5
505.09869	31.8
506.10229	2.7
520.85309	0.3
827.92474	0.3
929.18103	0.4
956.70612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.1
69.81490	2.2
71.01250	16.9
72.99158	1.2
73.02819	2.5
79.15784	0.4
81.03318	0.8
83.01262	1.6
83.04900	0.4
85.02824	3.6
87.00734	3.3
89.02315	13.2
93.34254	0.5
95.01251	1.3
95.04840	0.4
97.02837	2.9
98.20493	0.4
99.00737	1.2
101.02319	13.1
109.02853	0.5
111.04400	0.6
111.08056	0.4
113.02319	6.3
119.03399	4.3
120.85802	0.4
125.02332	5.8
131.03383	0.8
133.04945	0.8
138.15675	0.4
139.03899	0.8
143.03375	2.5
149.04414	0.7
161.04446	2.8
167.03331	0.4
167.10706	0.5
179.05527	3.0
179.14330	0.7
195.13835	6.8
196.14397	0.8
205.12245	1.1
211.13312	0.7
221.06520	1.0
223.13356	6.0
228.13654	1.1
235.06067	0.7
235.08195	6.8
236.08505	0.6
253.09218	1.0
256.13147	1.2
256.24887	0.4
275.20151	3.9
279.23285	48.1
280.23642	3.7
287.07755	2.5
293.21213	100.0
294.21542	6.5
305.08755	2.8
323.09824	1.2
397.13480	73.5
398.13715	4.4
415.14563	24.7
415.18915	0.4
416.14862	1.4
677.37396	4.3
678.37695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	0.5
84.48917	0.2
88.98673	100.0
89.99015	1.0
93.60797	0.2
94.53696	0.3
110.86504	0.4
116.92739	0.4
117.03323	1.1
117.88779	0.3
119.04885	0.9
125.02306	0.3
132.02060	0.6
134.03679	0.4
145.02884	2.0
160.01570	2.8
161.02216	0.2
163.03909	0.8
175.03918	3.7
209.11696	0.3
498.19940	0.3
591.44653	0.3
635.59778	0.3
705.20331	0.6
881.24432	1.6
882.25543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26636	0.7
71.01244	1.2
71.53082	1.0
78.95764	0.8
85.02843	0.7
85.05612	0.7
87.00767	1.1
87.33321	0.7
93.03329	0.7
95.01237	0.7
95.68580	0.7
96.95881	1.4
97.06278	0.7
113.02325	0.8
114.19776	0.6
115.00243	1.1
116.92718	0.7
117.03345	33.7
118.03669	1.0
119.04915	11.2
120.05223	0.8
121.02834	1.1
129.61237	0.7
131.04550	0.8
132.02060	35.3
133.02898	5.7
134.03642	9.2
135.04419	1.4
137.02344	1.4
145.02849	71.1
146.03192	3.5
149.05994	2.0
160.01564	100.0
161.02338	11.2
163.03926	5.7
175.02538	3.1
175.03911	70.7
176.04306	3.4
178.02623	1.8
179.03378	1.7
193.04976	7.3
196.39932	0.9
209.11761	3.6
217.04962	0.8
291.16071	0.8
319.08023	1.2
483.12949	4.5
631.37732	0.8
673.39758	1.4
729.20282	1.6
730.22131	1.1
747.20825	2.1
748.21521	0.9
771.21936	1.8
789.22467	4.7
790.22656	1.0
819.23663	3.3
863.24585	1.1
905.25122	3.5
923.26007	4.6
965.27081	19.5
966.27490	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	965.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01740	0.6
69.03310	1.0
71.01259	3.6
73.02797	1.1
81.03323	1.2
83.01270	1.5
88.98645	0.7
95.01260	4.3
96.95872	1.4
97.02835	1.5
97.26373	0.7
99.00748	1.6
101.02339	0.8
111.00761	1.9
113.02316	1.0
115.00238	1.7
116.92725	0.7
117.03367	4.5
119.04942	3.2
119.05653	0.6
121.02855	1.0
123.00772	2.8
123.04395	1.2
125.02343	8.3
132.02068	12.6
133.02821	2.2
134.03633	18.8
135.04396	1.8
137.02328	1.8
139.00249	1.6
141.01825	10.2
143.04897	0.6
145.02844	6.4
149.05945	4.2
151.00313	1.0
159.04424	0.9
160.01567	40.0
161.02155	1.9
163.03946	1.3
166.99844	0.6
169.01344	8.1
175.03923	41.6
176.04297	2.1
177.01892	0.8
178.02611	2.5
179.03413	2.2
193.04988	22.8
197.05994	2.9
202.95210	0.6
209.11787	0.7
217.04924	0.7
223.02501	1.2
225.05476	6.2
226.06305	100.0
227.06650	8.9
235.06029	0.8
240.07855	1.8
241.08659	64.2
242.08948	4.8
245.08290	0.6
246.30031	0.7
247.06094	3.4
250.06264	1.7
253.04865	0.7
265.07095	0.8
278.05756	1.0
279.06866	0.9
292.03488	0.6
295.09888	0.9
306.05334	1.6
319.08234	7.3
321.07620	5.5
337.09528	0.7
339.08820	1.2
417.08264	7.1
418.08545	1.0
565.15588	0.7
583.16791	1.4
625.17480	3.0
663.15692	6.0
681.16687	5.7
723.17767	31.9
724.18231	5.2
965.27325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62280	0.4
71.01252	7.5
71.04871	0.4
72.99175	0.5
73.02806	0.9
78.95777	1.3
83.01265	0.9
84.65868	0.4
85.02825	1.7
87.00768	2.2
89.02325	6.0
95.01241	0.9
97.02820	1.0
98.19755	1.0
99.00735	0.5
101.02316	5.4
113.02330	2.9
113.09534	0.5
119.03368	1.2
121.10119	0.5
124.43307	0.4
125.02319	2.2
131.03426	0.4
137.02394	0.5
143.03362	0.9
146.35542	0.3
148.27818	0.4
152.99554	2.3
161.04471	1.7
164.04810	0.4
171.10181	2.3
177.12671	0.5
179.05534	2.6
179.14323	0.7
194.52228	0.5
195.13814	7.6
196.14374	0.5
201.99838	0.4
205.12285	1.1
211.13335	0.7
221.06549	1.1
223.13342	5.1
228.13599	1.1
235.08217	1.9
242.06181	0.4
251.16492	0.4
253.09424	0.6
255.23256	15.6
256.13107	0.8
256.23627	1.0
275.20148	6.5
277.21783	1.3
287.07788	1.1
291.19638	1.6
293.21219	100.0
294.21567	6.7
305.09067	0.6
309.20731	2.3
323.09769	0.5
379.12405	1.2
397.13474	17.9
398.13437	0.6
415.14575	10.0
415.19992	0.8
416.15045	0.4
483.27167	11.0
484.27603	1.9
569.42670	1.3
570.41791	0.6
673.34106	1.0
691.35846	2.6
806.59430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99731	3.0
70.04796	11.7
71.01270	14.6
72.99175	6.3
75.00746	33.9
78.95787	4.6
80.96394	3.5
85.02833	6.1
85.47540	3.3
87.00755	27.5
88.98688	5.2
89.02310	5.6
97.02805	3.4
101.02318	5.3
109.02838	5.1
113.02321	6.2
115.00248	49.9
125.02304	4.2
127.03928	4.7
135.02885	5.3
169.12247	4.8
171.10103	16.4
175.02402	97.3
176.02800	6.2
195.13858	3.1
197.11760	24.2
209.11737	3.4
211.13353	5.4
218.27563	3.2
220.50716	2.9
235.08221	3.3
239.12869	3.8
241.14462	3.9
267.12512	3.0
277.21707	46.4
278.21979	5.3
285.13452	8.7
291.66782	2.8
305.27240	3.2
461.68372	3.8
503.21509	7.1
521.22223	4.2
777.41058	4.7
779.42700	12.6
781.43817	100.0
782.44086	15.6
803.42926	3.4
821.43494	23.9
822.43689	5.5
839.44086	8.2
962.46118	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	963.6863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41728	1.5
69.42144	0.5
70.02856	0.3
71.01247	0.4
81.02885	0.5
81.03329	6.3
83.04895	14.2
84.05203	0.4
85.02800	0.7
98.29488	0.3
100.07543	0.5
104.46033	0.4
107.06020	0.4
108.04440	0.7
111.96944	0.3
123.04390	0.3
125.02290	1.5
125.07109	0.8
126.05467	0.3
133.02840	0.3
137.02324	0.6
138.08507	0.3
139.03867	0.4
141.19798	0.3
143.08159	0.4
161.02345	0.7
164.13506	0.3
207.14929	1.0
220.14763	0.3
224.17686	2.6
225.16028	10.3
225.17915	0.4
242.18767	0.6
267.49835	0.3
285.04037	0.8
289.07230	0.3
300.38812	0.3
309.21759	0.9
333.22937	0.3
339.63846	0.3
341.29135	0.7
351.23959	0.3
367.26981	1.0
433.31799	1.1
450.34094	0.6
451.32874	8.0
452.32980	0.8
481.64691	0.4
550.43787	0.4
567.46185	0.9
677.49304	1.4
678.49323	0.4
776.60059	0.6
837.77667	0.3
885.65527	0.5
903.66467	100.0
904.66809	29.0
963.40607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2717
Annotation	Smiglaside D
Peak:m/z	Relative Intensity
69.03326	0.4
70.23248	0.4
71.01260	0.9
71.72383	0.3
73.02823	0.3
73.73790	0.2
85.02823	0.5
87.00749	0.5
89.03847	0.6
93.03345	0.6
104.02563	0.3
113.02348	0.3
117.03351	30.0
117.69218	0.2
118.03674	0.9
119.04918	7.9
119.05731	0.5
120.05234	0.3
121.02843	0.5
125.02316	0.4
131.96130	0.3
132.02066	32.3
133.02881	5.3
134.03638	11.9
135.04449	2.0
137.02348	0.8
143.04929	0.3
145.02856	70.9
146.03180	2.9
147.04356	0.5
149.06003	2.2
155.31476	0.3
159.04431	0.5
159.19165	0.3
160.01572	100.0
161.02342	13.2
162.02762	0.6
163.03925	4.4
171.04399	0.4
173.06021	0.9
175.03925	74.7
176.04242	3.7
177.05518	0.7
178.02583	1.7
179.03406	1.6
185.06119	0.3
187.03838	0.4
187.97618	0.3
188.04819	0.3
191.07063	0.5
193.04993	9.0
217.05035	1.2
231.06592	0.3
233.04633	0.3
235.06017	0.3
265.07083	0.3
319.08176	0.7
337.09146	0.5
389.62613	0.3
436.75543	0.3
465.12006	0.3
483.12976	3.1
484.13321	0.5
488.19690	0.3
583.16827	0.3
625.17999	0.3
659.17706	0.6
660.18622	0.4
687.19550	0.4
711.19086	0.4
729.20966	1.1
747.21277	2.0
771.21863	1.1
772.21582	0.5
777.22247	0.8
789.22540	4.7
790.22821	1.0
819.23468	3.0
820.23175	0.6
863.23962	0.7
877.14886	0.4
905.25049	4.2
906.25830	1.0
923.26190	4.2
924.26721	1.2
965.27185	25.2
966.27545	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	953.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	1.1
71.32721	0.4
71.52583	0.5
81.55354	0.3
85.02818	0.7
88.98679	2.9
89.03849	0.6
93.03327	0.5
96.95874	0.9
101.02320	0.6
104.02570	0.4
108.02039	0.5
113.02307	0.5
116.92719	1.6
117.01787	0.3
117.03361	3.0
117.58566	0.3
119.04914	18.5
120.05251	0.5
121.02881	0.7
123.00838	0.4
123.04378	0.5
123.79774	0.4
125.02360	0.9
131.04910	0.4
132.02065	33.3
133.02914	3.3
134.03627	12.4
135.04451	2.0
137.02325	1.2
139.03934	0.5
141.44385	0.3
145.02850	5.6
147.04390	0.5
149.05997	1.9
151.03833	0.4
160.01566	100.0
161.02283	8.2
162.02937	0.6
163.03918	11.3
165.01813	0.5
166.02647	0.9
174.03154	0.4
175.03918	87.9
176.04227	3.5
177.01848	0.8
177.05424	0.5
178.02637	2.4
179.03404	1.1
181.04919	0.4
187.04077	0.5
188.04700	0.3
192.04176	0.4
193.04987	8.6
195.06372	0.3
203.07140	0.4
207.06534	0.3
209.11752	0.6
217.05029	0.6
225.07498	0.3
254.22371	0.3
259.06058	0.6
265.07056	0.5
319.08240	0.8
371.16968	0.4
472.35724	0.4
513.13947	2.2
524.90039	0.4
581.20483	0.6
601.18207	0.8
717.20380	2.0
735.21283	2.1
741.25439	0.5
759.20959	1.6
771.26080	0.4
777.22345	6.5
778.22797	1.4
893.25153	3.8
894.25006	0.9
905.29932	0.5
911.26648	2.8
927.15009	0.4
935.31348	0.8
953.27338	11.7
953.46863	0.4
954.27307	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	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.6
70.39453	0.8
71.01251	20.2
71.04894	0.7
72.26162	0.2
72.99187	1.5
73.02824	2.9
75.00730	0.5
81.03330	0.7
83.01244	2.7
83.04872	0.5
85.02821	4.8
87.00745	5.5
89.02313	16.8
90.02673	0.3
91.03860	0.3
95.01255	0.9
97.02811	2.8
98.19915	0.3
99.00755	1.1
101.02318	15.0
102.02638	0.5
109.02840	0.6
109.06464	0.8
111.00786	0.4
111.04405	0.5
113.02332	9.2
115.03883	0.4
119.03382	4.1
121.10110	1.3
123.04372	0.3
125.02340	7.4
127.07582	0.4
131.03348	0.7
133.04936	0.5
139.03915	0.8
141.01785	0.4
143.03387	3.2
149.04436	0.5
160.87410	0.4
161.04453	4.5
167.03372	0.6
171.10173	5.5
179.05528	4.6
182.12849	0.3
183.13817	7.0
184.14177	0.5
195.13809	0.7
199.06012	0.5
207.89720	0.3
211.13388	2.1
217.07147	0.7
221.06645	1.7
231.21089	0.9
235.08194	6.1
235.16986	11.4
236.17209	0.7
237.18526	0.4
245.06673	0.4
253.09256	1.2
259.08118	0.5
263.07697	0.6
265.21759	0.5
275.20142	26.7
276.20450	1.9
277.21707	61.1
278.22031	6.0
287.07693	2.1
291.23190	0.3
293.21210	100.0
294.21518	9.6
305.08792	2.5
323.09790	1.0
361.11237	0.4
379.12466	8.6
380.12891	0.7
397.13470	51.7
398.13828	4.3
415.14563	15.1
416.14929	1.2
581.29553	0.3
657.34967	0.4
673.34186	0.7
675.35974	1.2
691.36346	0.7
886.75354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93671	3.7
75.63329	0.7
80.82929	0.7
82.29759	0.8
90.72032	0.8
93.03339	0.9
98.20471	0.8
113.02341	1.2
117.03343	22.9
119.04910	8.6
121.02847	0.9
125.02335	1.0
132.02060	22.8
133.02861	1.3
134.03633	8.6
135.04463	1.0
145.02855	77.8
146.03169	2.8
149.06044	1.6
160.01570	92.5
161.02315	7.9
163.03922	4.8
175.03920	100.0
176.04311	4.4
178.02606	1.6
179.03246	0.9
193.04985	10.0
217.05037	2.8
227.62747	0.8
250.81218	0.9
357.26428	1.0
483.12872	2.6
510.10226	0.9
517.15680	1.1
645.18256	2.4
663.19098	1.3
687.19867	2.0
705.20410	24.3
706.20575	3.4
735.21753	4.2
821.22473	6.2
822.23529	1.3
839.24194	1.7
881.24988	57.4
882.25574	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	16.5
72.01590	2.5
72.99180	1.5
73.02828	2.6
75.00754	1.2
77.70452	1.1
80.02567	1.3
81.03310	1.7
83.01249	2.1
83.04897	5.0
85.02833	3.2
87.00751	7.1
89.02319	13.3
97.02827	3.3
98.20547	3.8
99.00764	1.7
101.02325	9.8
102.02662	2.2
102.08132	1.2
113.02322	7.6
115.00271	5.0
116.92759	2.2
117.01873	1.2
119.03376	2.2
125.02390	5.6
139.80408	1.1
143.03415	2.3
147.03471	1.0
156.39308	1.1
157.01291	1.5
161.04446	3.7
163.11192	5.1
164.11497	1.8
165.12753	3.1
169.64507	1.1
175.02412	12.2
179.05630	2.7
181.12265	2.5
207.10220	4.1
208.10481	1.4
209.11771	100.0
210.12111	29.1
217.07140	1.7
225.11253	6.0
226.11679	2.7
227.12914	8.1
228.13194	2.5
235.08224	4.3
243.09448	1.1
243.12148	1.6
244.12708	1.4
277.21713	42.9
278.22073	21.4
279.22482	1.5
379.12521	8.2
380.12781	3.3
397.13467	32.4
398.13791	11.8
415.14587	7.4
416.14954	2.6
590.25592	1.4
606.25403	1.8
607.25586	3.3
608.26349	2.2
624.26367	1.7
884.48468	1.3
885.47369	3.5
886.47949	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	944.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	2.1
117.03336	21.8
119.04930	7.5
132.02063	24.6
134.03636	9.5
135.04478	1.8
145.02849	71.6
146.03192	4.1
154.06168	1.8
160.01556	98.5
161.02357	10.5
162.02724	1.8
163.03897	4.9
175.02533	3.6
175.03908	100.0
176.04260	4.0
193.04984	8.7
211.13335	2.3
236.71637	1.8
238.09303	1.8
329.62018	1.6
377.42007	1.9
483.12729	3.4
557.38824	1.9
559.17548	2.1
622.06403	1.9
645.17963	2.3
646.49554	2.3
651.46466	1.9
705.20233	27.0
706.20392	2.0
735.20923	4.5
821.22467	5.1
881.25049	38.8
882.24573	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	939.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	1.0
71.01244	2.3
72.99172	0.5
75.00734	0.9
81.03295	0.3
83.01279	0.7
85.02827	3.1
87.00745	1.2
93.33634	0.3
95.01247	1.2
99.00732	1.1
107.01286	1.8
109.02835	0.5
111.00694	0.4
113.02342	2.8
115.00246	0.5
121.02792	0.8
125.02313	0.7
129.01846	0.5
132.02095	0.3
133.02837	5.7
133.23247	0.3
135.04410	0.7
137.02362	0.4
139.00261	0.9
149.02321	3.2
151.00273	6.2
164.98146	0.7
165.01810	0.7
171.04347	0.4
171.76671	0.3
175.02408	1.0
175.03903	2.2
175.24043	0.4
177.01791	0.4
183.04413	0.3
185.06036	0.5
189.05363	0.5
197.06021	0.4
198.03127	0.4
199.03900	2.1
201.01852	1.0
201.05402	0.4
211.04039	0.5
213.05408	0.4
215.03450	0.8
217.05026	1.6
227.03467	0.5
229.05057	0.9
239.03371	0.3
241.04973	0.6
243.03021	0.6
255.02898	2.3
257.04532	1.4
267.03043	0.4
271.02490	0.7
283.02362	1.6
284.03113	0.8
285.04028	100.0
286.04373	7.5
297.03867	0.5
299.01965	1.1
300.02719	1.7
301.03519	51.4
302.03860	5.1
313.03525	1.1
314.04272	3.3
315.04834	0.7
327.04941	1.8
329.06747	0.4
342.03699	3.0
343.04541	1.0
357.06042	6.3
358.06116	0.5
372.04700	0.5
373.05081	0.5
387.07233	1.3
461.07248	53.4
462.07608	5.8
477.06262	25.2
478.06641	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19163	12.4
71.01244	6.8
75.77242	1.4
82.72672	1.5
83.01244	1.5
85.02773	1.7
87.00767	1.9
89.02305	2.2
90.30293	1.4
93.03324	15.2
95.83637	1.4
96.95890	3.2
97.02832	1.6
101.02304	4.0
113.02277	3.6
116.92738	5.4
117.03349	42.4
117.04182	2.0
119.04913	53.9
120.04289	1.6
120.05184	3.1
125.02326	2.4
125.09612	4.1
127.68073	1.3
132.02069	27.3
133.02774	4.6
134.03601	4.0
145.02852	100.0
146.03183	5.8
160.01563	82.9
161.02333	12.2
163.03911	39.8
164.04263	1.6
171.10098	1.7
175.03918	61.7
176.04222	3.7
193.05019	2.3
197.11656	1.4
204.93138	1.4
209.11728	3.1
211.13383	1.7
217.04916	2.8
222.81273	1.4
226.11600	1.4
236.14365	1.9
254.15543	8.2
255.15666	1.6
272.16608	4.3
289.07306	1.8
309.20609	1.7
355.15625	1.4
391.90869	1.6
406.23532	1.7
424.24951	6.4
427.13889	3.8
442.25925	5.6
443.26111	1.8
453.12088	4.3
468.10562	1.5
641.02399	1.4
717.20703	3.2
759.21832	6.4
789.22614	6.2
822.39050	4.6
823.38977	3.2
835.17865	1.5
839.08313	1.4
875.23401	2.8
893.24811	5.4
916.43274	10.7
917.44080	12.8
935.26086	26.2
935.46362	4.9
936.26379	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	933.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	1.4
68.99673	1.3
69.03326	1.3
71.01253	5.3
71.53644	1.4
75.00752	8.8
78.08033	1.2
79.84808	1.1
81.03321	1.7
83.01266	3.6
85.02819	10.9
87.00755	2.4
89.02342	1.8
93.03315	1.9
95.01258	2.9
95.04919	1.8
97.02827	4.4
99.00780	4.1
109.02847	16.0
113.02341	7.4
117.01838	1.1
121.02843	42.8
123.00784	1.1
123.04414	11.2
125.02334	24.4
129.01825	1.5
133.02861	2.5
137.02339	16.5
139.03935	1.6
145.32521	1.2
149.02357	5.1
151.03908	8.2
159.04495	1.4
161.02377	2.3
161.05972	4.4
162.03105	1.3
163.00258	1.5
164.01053	12.6
165.01852	6.7
167.03384	1.4
175.02371	2.0
175.03888	2.4
177.01894	2.8
179.03392	5.2
187.03883	3.4
188.04710	3.3
203.07068	9.2
205.01343	2.8
205.05003	8.4
221.08066	2.7
227.07220	1.7
231.05083	4.0
231.61304	1.1
233.49902	1.1
245.08182	17.3
245.36670	1.1
247.05899	1.3
249.06113	22.8
255.02873	1.9
256.03806	1.7
271.06097	11.1
272.06250	1.2
273.07690	4.1
283.02774	1.4
283.05869	1.8
285.04037	2.6
289.07196	100.0
290.07550	7.0
329.06665	1.7
371.09818	49.6
372.10031	3.0
407.07721	11.1
408.07513	1.3
425.08694	3.8
435.10809	12.1
543.13165	2.7
561.14020	23.1
562.14246	4.5
660.09180	1.2
947.80566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	15.8
72.99193	1.8
73.02809	3.1
75.00734	1.6
81.03339	2.0
83.01264	1.7
83.04900	4.6
85.02833	3.0
87.00746	3.6
89.02318	13.3
95.01263	1.5
97.02841	3.3
98.20586	2.4
99.00745	1.1
101.02328	11.9
113.02364	5.9
116.92764	1.8
119.03385	2.6
121.58692	1.3
121.81968	1.0
125.02304	5.9
143.03406	2.7
161.04474	3.3
163.11211	3.5
165.12772	1.9
179.05536	4.2
209.11768	100.0
210.12065	5.4
221.06639	1.7
227.12871	11.8
235.08167	5.3
251.00285	1.4
255.23262	62.1
256.23688	6.6
269.24979	1.3
287.07736	1.3
305.08774	3.1
323.10028	2.1
379.12457	15.7
380.12613	2.1
397.13461	48.3
398.13959	2.9
415.14752	7.2
468.65155	1.2
589.24677	4.0
597.75470	1.3
607.26215	3.3
635.36731	2.7
652.57257	1.4
653.37439	4.9
863.48383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	1.1
73.02779	0.5
78.95785	0.5
85.02798	0.5
87.00767	0.6
88.98683	0.9
89.03849	0.7
93.03319	2.4
93.68086	0.5
98.19688	0.9
99.92442	1.0
101.02302	0.6
108.02061	0.6
113.03455	0.7
116.92751	6.4
117.03345	29.4
118.03654	1.1
119.04911	100.0
120.05276	3.0
121.02876	3.2
122.03619	3.4
123.00755	0.5
123.04438	1.1
125.02337	0.7
131.04672	0.8
132.02060	17.5
133.02802	2.2
134.03630	7.8
135.04369	1.6
136.01530	0.9
137.02382	1.7
141.01762	0.6
145.02849	62.4
146.03210	3.7
149.02350	4.9
149.05971	2.1
150.03128	20.9
150.04332	1.0
151.03874	1.6
153.05479	0.5
160.01564	58.0
161.02321	6.4
162.03125	1.6
163.03914	63.8
164.04303	2.5
165.01866	0.5
165.05470	12.8
166.05919	0.7
169.01285	0.7
173.05995	0.6
175.03912	45.7
176.04343	2.3
177.05457	1.9
178.02695	1.2
179.03413	1.1
180.04230	1.3
181.04945	1.3
193.05008	6.0
195.06535	3.1
197.06007	0.7
201.05443	0.6
206.55103	0.5
209.11749	0.8
225.05586	0.7
226.06311	6.0
229.22432	0.6
241.08633	2.1
243.02934	0.5
247.06053	0.8
250.05939	0.5
265.07263	0.6
279.06607	0.5
318.09079	0.6
319.08243	0.8
321.07813	1.1
333.11273	0.7
339.08768	0.6
395.15228	0.6
471.15002	0.7
483.13284	1.5
501.19196	2.0
541.14526	0.6
544.17169	2.4
545.18103	7.7
546.18091	0.7
583.16675	0.7
599.18884	1.2
601.18024	0.6
635.22162	0.7
649.24585	2.2
650.24994	0.8
681.16986	1.7
687.19031	1.1
693.23358	5.7
694.23975	0.9
697.26605	0.9
705.20880	1.4
709.22894	0.7
723.24518	1.5
726.22510	0.9
727.23981	1.3
729.22021	1.0
741.25470	20.8
742.25763	4.1
747.21222	2.4
748.22931	0.8
777.22723	1.6
863.23572	3.6
864.24390	0.6
881.24957	2.0
905.30463	1.6
923.26556	10.3
924.27026	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	921.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	14.3
71.04884	2.1
75.00722	1.5
79.11531	1.3
81.03385	1.2
83.01284	2.1
85.02827	4.8
87.00751	4.1
89.02310	6.3
97.02831	8.3
97.06479	2.7
98.19741	2.3
99.00758	17.9
101.02332	8.4
113.02361	6.5
116.92721	5.9
119.03353	2.0
125.02322	6.0
125.09640	6.2
136.05191	2.7
160.60410	1.1
163.11180	8.8
181.12277	14.0
199.13293	1.9
207.10197	44.8
208.10428	2.7
215.77995	1.4
225.11264	63.3
226.11650	3.5
229.67093	1.6
231.99405	1.3
235.08076	1.8
243.12349	19.2
255.23273	59.9
256.23737	2.8
397.13406	8.1
415.14490	1.3
440.35770	1.2
440.41586	1.4
489.20007	1.3
597.14648	1.2
605.24585	17.2
606.24347	1.9
623.25427	7.0
624.25446	1.7
843.48285	1.4
861.48431	100.0
862.48694	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.261
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81582	0.4
70.81904	0.5
71.01248	0.8
82.05357	0.4
87.00747	0.4
93.03349	0.8
94.51278	0.3
100.93005	0.4
101.02366	0.4
104.02570	0.4
107.36590	0.4
117.03341	28.8
118.03671	1.4
119.04907	11.0
132.02060	33.1
133.02794	1.7
134.03619	9.1
135.04381	1.2
145.02846	78.0
146.03169	3.9
149.05963	1.9
150.03052	0.8
160.01559	100.0
161.02197	7.5
163.03886	5.6
165.05522	1.0
171.04407	0.6
173.05943	0.9
175.03911	91.3
176.04251	5.2
178.02617	1.5
179.03395	0.7
189.41177	0.4
193.04968	7.3
194.05310	0.6
217.04994	1.9
244.07532	0.4
247.06061	0.6
265.07193	0.8
337.08920	0.6
433.30811	0.4
444.50281	0.4
483.12860	5.4
484.13141	0.7
545.18042	0.5
586.85797	0.5
601.17780	2.2
687.19342	2.0
705.20422	1.7
717.20490	0.5
727.05267	0.5
729.20245	0.9
747.21478	14.2
748.21686	3.3
760.25317	0.5
777.22284	2.7
778.22394	0.8
863.23877	2.2
864.23877	1.0
869.44208	0.5
881.24976	1.0
923.26135	13.1
924.26367	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	923.2621
Annotation	Smiglaside E
Peak:m/z	Relative Intensity
69.03327	0.5
70.85815	1.0
71.01273	0.7
87.00792	0.5
88.98666	0.7
89.02227	0.5
89.03864	0.6
90.46188	0.4
93.03336	1.1
96.95847	0.6
101.02309	0.7
101.61259	0.4
116.92756	0.5
117.03350	30.1
118.03687	1.2
119.04920	23.1
120.05230	0.8
120.10421	0.4
121.02868	1.4
125.02315	0.5
132.02066	30.8
133.02911	2.3
134.03633	10.3
134.99634	0.4
135.04419	1.4
137.02386	0.8
143.04919	0.4
145.02855	80.2
146.03154	3.0
149.02362	1.2
149.05997	1.8
150.03139	3.8
151.03842	0.5
160.01570	100.0
161.02284	7.7
162.03036	0.6
163.03920	14.3
164.04320	0.7
165.05522	2.9
173.06036	0.7
175.03922	95.2
176.04286	4.6
178.02632	1.9
179.03407	1.4
180.03943	0.5
187.03845	0.6
193.04984	8.0
195.06535	0.9
217.04984	1.8
259.06458	0.4
259.12357	0.5
265.07101	1.2
430.48740	0.5
445.58258	0.5
483.12924	5.3
484.13159	0.8
545.18054	1.5
559.16821	0.5
601.17511	2.4
687.19464	3.0
705.19965	1.8
706.20337	0.4
729.20178	1.4
741.25269	2.3
747.21442	12.9
748.21967	2.5
777.22418	2.0
863.23566	2.2
864.24591	0.7
881.25165	1.0
923.26178	10.7
924.26904	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	919.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.6
69.26442	8.2
71.01254	100.0
72.01600	2.2
72.99187	2.3
73.02819	4.1
83.01258	1.7
85.02830	5.6
87.00755	5.9
89.02318	14.0
97.02850	4.6
99.00745	2.1
101.02327	16.4
109.06482	4.8
111.04440	1.3
113.02334	8.3
116.57657	1.0
119.03403	3.5
125.02346	7.1
125.09644	1.8
126.02663	1.2
127.11137	1.8
141.01891	1.0
143.03395	3.2
155.10683	2.2
161.04482	4.6
163.11189	2.8
171.10179	46.9
172.10478	2.9
179.05582	4.0
180.05621	1.0
181.12274	2.2
199.09731	9.1
199.13341	1.4
201.11247	11.3
204.57944	1.2
207.10242	14.3
215.12823	3.1
221.06566	2.1
225.11287	12.4
235.08215	4.7
275.62848	1.1
277.21725	55.1
278.22107	6.4
287.07806	1.9
300.11542	1.1
305.08759	1.6
323.09573	1.2
357.05368	1.0
359.01624	1.2
379.12375	4.1
397.13544	37.2
398.13730	3.9
415.14490	8.9
416.15030	1.3
511.56583	1.2
594.72314	1.1
597.24170	1.2
623.25427	1.9
675.36115	1.5
732.66296	1.3
844.34613	1.1
857.45038	1.9
858.80396	1.2
883.47095	7.0
884.47467	3.3
901.47571	1.5
919.48993	12.6
920.49005	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	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	0.9
71.01253	14.2
71.39620	0.9
72.99173	1.7
73.02812	2.8
80.96378	0.7
83.01253	2.6
85.02821	3.4
87.00742	3.2
89.02304	9.7
95.01259	1.4
96.95892	1.3
97.02814	3.2
99.00747	5.4
101.02312	9.6
106.04417	0.7
111.00769	0.8
113.02313	4.0
119.03383	2.0
121.50546	0.7
123.04417	0.9
125.02307	3.2
125.09601	4.8
127.11157	4.4
131.03398	1.0
137.09602	1.0
137.13078	0.7
142.02647	0.8
143.03400	1.7
146.00175	0.7
155.10696	2.4
161.04448	1.1
163.11238	3.7
165.01703	0.7
165.09084	2.8
171.10129	2.7
172.10515	0.9
179.05498	2.0
181.12257	5.7
183.10130	0.8
197.11810	0.8
199.09694	2.1
199.13315	7.5
201.11253	69.9
202.11578	3.8
207.10178	12.5
208.10558	1.1
217.14360	2.1
221.06572	2.8
223.13385	0.8
225.11246	22.2
226.11528	1.0
235.08304	0.9
243.12292	9.6
244.12593	1.0
248.59052	0.7
274.61691	0.7
277.21695	24.5
278.22055	2.8
397.13470	4.9
415.14377	2.0
438.09531	0.9
525.57397	0.8
563.06012	0.7
581.23920	1.0
605.24420	2.4
623.25513	3.3
659.28400	1.0
883.47064	9.4
884.47595	2.5
901.47540	7.5
902.48517	2.2
919.49023	100.0
920.49286	26.7
920.67474	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	919.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.5
70.21085	2.4
70.21414	1.5
71.01257	18.2
72.99165	1.3
73.02829	3.2
74.76613	1.3
80.96398	2.2
83.01273	2.1
85.02833	3.3
87.00736	4.3
89.02316	11.2
95.01219	1.1
97.02809	3.1
99.00749	5.0
101.02332	10.1
113.02322	5.4
113.68974	1.2
119.03409	1.9
121.75990	1.2
125.02341	3.1
125.09591	4.6
127.11146	3.2
129.81143	1.0
155.10725	2.2
163.11208	2.7
165.09146	1.6
171.10231	2.7
173.57202	1.5
181.12283	5.4
199.09767	1.3
199.13332	4.7
201.09346	2.1
201.11249	42.3
202.11656	1.9
207.10225	7.8
207.11914	1.2
225.11287	12.0
226.11501	1.2
235.08165	1.4
238.45369	1.2
243.12344	4.9
254.96803	1.6
263.94171	1.1
277.21704	39.7
278.22018	2.1
296.87531	1.5
320.94778	1.1
397.13425	7.7
415.14868	2.0
420.48785	1.5
437.03586	1.5
577.26721	2.0
623.26166	1.7
883.47168	6.5
884.46741	2.1
893.14758	1.5
901.47253	6.8
902.48761	2.0
919.49054	100.0
920.49371	25.5
920.67102	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54812	1.7
71.01254	100.0
71.53232	2.0
72.01571	1.9
72.99181	3.4
73.02810	3.5
79.95615	1.8
81.03366	2.0
83.01268	4.1
85.02821	6.2
85.03295	1.5
87.00759	7.6
89.02302	17.0
95.01261	2.0
96.95877	2.2
97.02834	5.9
99.00763	2.7
101.02318	17.9
101.22609	1.5
109.06451	5.8
113.02333	8.7
119.03391	4.6
125.02341	9.4
125.09632	3.4
134.40675	1.7
143.03375	2.8
153.18759	1.5
161.04507	2.8
163.11189	2.3
165.09143	2.1
171.10170	60.9
172.10594	2.5
179.05556	5.0
181.12207	2.4
197.11725	1.7
199.09747	10.3
199.13232	1.8
201.11250	22.7
207.10196	17.8
215.12866	9.6
216.13120	4.3
221.06598	3.4
225.11284	13.5
235.08148	6.3
243.12300	1.6
270.75009	1.6
277.21707	53.4
278.22058	5.5
305.08798	2.0
379.12326	4.5
397.13464	29.5
398.13635	1.8
415.14465	9.6
597.23450	3.4
605.24280	2.8
623.25372	2.8
883.46954	8.3
884.46307	2.7
919.48633	21.5
920.48730	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	917.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	2.0
71.01247	23.0
71.48674	1.3
72.50362	1.3
72.99168	2.2
73.02817	4.5
75.00721	1.4
76.06447	1.2
78.95749	1.6
80.96428	1.7
83.01251	2.2
85.02816	6.3
87.00758	6.2
89.02319	17.3
95.01247	1.9
96.95911	2.5
97.02837	4.2
99.00784	2.5
101.02328	15.6
113.02322	8.3
119.03394	3.3
125.02330	9.3
129.01845	1.3
131.03471	1.3
135.02869	2.4
143.03368	3.9
152.99461	1.7
161.04462	4.9
169.12251	61.4
171.10168	15.1
179.05507	5.8
206.61795	1.3
221.06581	1.8
226.20210	1.4
235.08199	6.7
277.21710	100.0
278.22018	7.1
287.07761	2.8
288.61548	1.3
305.08987	2.7
379.12460	19.9
397.13486	45.7
398.13925	3.3
415.14572	8.5
435.16650	1.5
549.25647	5.9
567.26465	5.3
657.35010	4.8
658.36365	1.5
675.35767	6.9
676.36407	1.7
853.46149	3.0
871.47266	11.8
889.47430	7.6
890.47321	2.0
917.47809	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	917.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	31.9
72.99176	2.9
73.02808	5.6
83.01250	3.6
85.02811	5.8
87.00748	8.0
89.02312	20.9
95.01243	1.9
96.95883	3.0
97.02831	5.6
99.00743	2.0
101.02319	19.5
108.77877	1.2
109.02870	1.5
110.07682	1.2
111.04446	1.7
113.02352	13.9
119.03405	7.3
125.02351	11.2
126.35093	1.5
131.03389	1.7
139.03847	1.7
143.03358	3.4
151.11174	1.8
161.04465	6.8
169.12256	85.6
170.12634	4.0
171.10159	26.6
179.05531	5.1
235.08179	8.9
253.09402	1.6
277.21713	100.0
277.93896	1.4
278.22098	11.5
287.07761	3.1
305.08725	3.7
323.09653	2.2
379.12433	29.8
397.13507	58.5
398.13910	4.2
415.14578	10.9
446.68314	1.5
549.25580	8.2
551.23328	2.1
567.26788	11.1
568.27338	2.5
593.24432	2.4
594.24127	1.4
657.34662	4.5
660.04626	1.5
675.35925	5.7
735.04993	1.4
853.46179	3.7
871.46710	16.9
872.47986	2.9
889.48291	9.4
890.48920	3.0
917.47888	9.9
918.48920	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	917.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.8
69.96118	1.7
69.96535	2.6
71.00895	1.4
71.01255	19.0
72.99181	1.3
73.02808	3.4
79.95563	1.1
80.02521	1.1
81.03323	2.6
83.01266	1.8
83.04897	6.0
84.02045	1.3
85.02809	4.1
87.00730	2.9
89.02319	12.2
95.01248	1.2
96.95889	5.3
97.02799	2.9
98.20501	1.0
99.00772	1.3
100.30419	0.8
101.02316	13.0
109.06465	1.0
111.04440	0.9
111.08035	6.9
113.02328	7.7
115.86748	0.9
119.03406	4.7
119.04881	1.3
125.02318	6.5
125.05985	0.9
127.07568	1.4
131.03387	1.3
141.71570	0.8
142.35320	0.9
143.03387	2.4
153.12701	1.0
161.04454	3.2
163.11156	4.9
163.12363	1.0
165.12720	2.8
169.12241	3.5
171.10149	2.6
179.05540	4.3
181.12254	1.6
183.13812	2.0
191.10623	1.3
193.12222	0.9
195.13791	1.0
197.11754	40.2
198.12091	1.9
199.13280	2.4
207.10210	0.8
209.11765	100.0
210.12082	4.9
211.13321	10.3
212.13591	1.1
221.06662	1.9
225.11215	1.3
225.14738	0.9
227.12834	13.3
235.08127	6.0
253.09195	1.6
263.20126	2.9
287.07608	1.4
291.19662	13.9
292.20065	1.6
293.21259	1.8
305.08722	1.8
308.19495	1.0
309.20697	74.6
310.21103	6.5
323.09860	1.4
325.20184	3.4
379.12448	3.3
397.13467	39.5
398.13672	3.0
415.14566	15.4
416.14798	1.3
456.27148	0.8
607.26038	3.1
707.35400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.6
66.75238	0.5
71.01240	0.7
71.53132	0.6
85.02809	0.7
107.01223	1.1
109.02850	0.7
109.57272	0.5
133.02882	0.6
151.00293	4.2
163.00275	1.3
163.04027	0.5
164.26132	0.5
177.01758	0.5
178.99751	3.3
189.01801	0.8
190.02661	0.6
217.01413	0.9
226.02699	4.5
227.03357	2.2
236.68768	0.6
243.02931	9.9
254.02180	4.6
255.02881	4.4
256.03448	0.7
268.59277	0.5
271.02472	47.0
272.03082	3.3
285.04071	4.5
286.04315	3.6
287.04581	1.6
299.01959	1.2
300.02737	61.2
301.03403	14.9
302.03738	0.7
341.06601	3.0
343.04514	0.6
451.10840	2.4
451.16052	0.6
452.11246	0.6
461.07327	1.8
462.07742	2.2
463.08792	100.0
464.09045	10.7
530.36395	0.5
766.21075	0.6
795.07617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30410	1.6
69.03336	2.7
71.01256	23.4
71.04885	2.0
72.99167	3.1
73.02805	3.3
74.75061	1.5
75.00735	5.6
81.03340	4.0
82.08161	1.3
83.01273	4.4
83.04900	7.6
83.45711	1.2
85.02826	6.1
87.00737	8.2
89.02319	18.1
95.01256	2.0
95.04892	2.0
96.95890	3.1
97.02843	4.1
97.06462	3.7
98.19738	2.7
99.00758	3.4
101.02324	15.4
108.50817	1.2
109.06453	2.0
111.04454	2.1
111.08070	1.9
113.02344	9.8
115.00262	5.3
116.92729	1.6
119.03406	3.7
119.04906	2.8
121.06515	1.6
123.04446	1.9
125.02362	7.4
125.09618	3.8
131.03389	1.9
135.08087	1.9
137.09619	2.9
143.03398	3.4
145.02853	1.6
161.04431	3.7
163.03903	2.1
163.07494	1.6
163.11226	8.1
165.12767	5.5
171.10185	5.3
175.02405	13.7
179.05580	4.9
179.10590	1.9
181.12297	2.7
183.13832	2.9
185.11794	4.3
191.10719	4.0
191.14365	3.8
195.13849	2.8
197.11777	23.2
198.11969	2.0
207.10187	5.3
209.11765	100.0
210.12126	7.0
211.13345	4.8
221.06627	2.2
223.13327	2.5
225.11302	7.4
227.12851	17.4
228.13449	1.9
235.08209	5.8
237.11493	2.0
245.19113	8.5
251.12746	1.5
253.09209	2.2
263.20081	2.4
275.20135	2.6
285.13101	1.6
289.18106	34.2
290.18445	1.8
291.19730	2.1
293.21216	9.4
294.21344	1.5
307.19186	39.3
308.19485	3.0
309.20654	3.4
310.21732	1.6
379.12503	2.4
397.13483	29.2
415.14612	12.7
416.15231	1.8
607.26166	1.7
705.33698	2.1
795.41296	1.9
797.44324	8.1
897.44714	3.0
915.46002	40.9
916.46185	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	917.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72260	0.7
65.26968	0.7
65.65572	0.6
70.67146	1.8
71.01252	13.2
72.99194	1.0
73.02808	1.8
83.01250	1.6
84.16517	0.6
85.02821	4.2
87.00758	1.5
89.02316	6.7
91.01777	2.6
93.03345	1.9
95.01254	1.3
97.02837	1.0
99.90459	0.8
101.02318	6.8
113.02335	4.3
119.01289	6.2
119.03373	2.7
121.02826	10.7
122.03154	0.7
124.01560	1.4
125.02296	2.0
132.02092	1.3
134.03621	1.0
135.04395	1.3
137.02312	0.9
143.03403	1.9
147.00787	5.1
147.04416	3.4
149.02341	62.3
150.02972	2.5
152.01001	0.8
161.02425	0.8
161.04485	0.8
162.03123	1.1
163.03893	1.9
164.04694	46.7
165.01845	2.2
165.05067	2.5
167.03362	0.9
172.84114	0.8
175.00281	37.4
176.00925	3.1
179.06993	4.3
189.01852	1.5
190.02635	100.0
191.03166	5.4
193.01334	1.0
205.05002	76.4
206.05421	4.1
207.02913	0.8
208.03758	3.8
209.04533	1.2
209.99045	0.7
217.05148	0.7
223.06068	41.8
224.06387	2.4
248.72069	0.8
285.03967	2.0
447.09085	1.1
549.25146	1.2
693.30139	1.3
711.30902	3.4
755.31659	1.6
917.36523	96.2
918.36969	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.2
69.53637	1.1
71.01251	29.4
71.20174	1.9
72.99168	1.8
73.02821	2.0
73.28910	1.2
77.82703	1.1
83.01248	3.7
83.11687	1.2
85.02349	1.0
85.02806	6.7
85.87567	1.0
87.00736	1.8
89.02314	4.1
89.03891	1.0
93.03371	1.3
95.01258	2.6
96.99178	2.5
97.02840	2.2
99.00748	2.0
101.02318	7.8
108.02045	1.2
109.02810	2.3
113.02301	6.4
117.03387	3.3
119.04884	1.5
121.02849	2.0
123.04405	1.2
125.02362	7.1
129.01830	50.9
132.02060	13.9
133.02850	4.3
134.03627	55.8
135.04114	1.1
137.02324	4.5
139.03955	2.0
143.03424	1.2
145.02881	6.5
148.05185	1.3
149.02304	1.8
149.04362	0.8
149.04784	1.2
149.05984	11.2
151.00327	1.7
151.03896	1.2
154.45750	1.1
160.01572	67.6
161.02036	4.2
163.03900	1.4
173.05925	1.1
175.03914	76.5
176.04292	3.5
177.01878	1.7
177.05470	1.3
178.02626	8.5
179.03299	2.1
189.05539	2.1
193.04994	57.1
194.05353	2.4
197.05937	2.2
209.11746	2.6
225.05499	5.3
226.06302	100.0
227.06667	6.8
241.08653	45.8
242.08926	2.4
247.05923	1.3
251.07205	1.4
265.07104	10.0
277.04904	1.4
280.07501	1.4
295.09506	1.8
307.08057	1.5
319.08200	4.3
321.07739	1.2
337.09238	9.1
338.08032	1.2
339.08505	1.3
353.10315	6.2
449.10791	5.1
470.95929	1.2
481.13397	15.8
482.14230	2.5
499.14594	29.9
517.15649	10.6
541.15582	55.1
542.15784	6.1
554.71515	1.2
559.16663	17.1
560.16913	1.7
611.16064	20.7
629.17273	12.5
630.17859	1.9
671.18170	20.1
672.18506	2.6
869.42883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	0.5
68.60235	0.2
71.00954	0.2
71.01254	1.9
71.08620	0.5
73.02836	0.3
74.03041	0.2
75.00725	0.8
76.47633	0.2
82.57507	0.2
83.01231	0.3
85.02824	2.6
87.00736	0.4
89.02324	0.3
91.73425	0.2
95.01260	0.9
99.00770	0.8
105.03329	0.5
107.01303	1.4
109.02807	0.8
113.02347	2.1
115.00230	0.4
117.01783	0.4
121.02829	0.5
125.02304	0.5
129.01823	0.2
133.02834	4.4
149.02362	1.5
151.00261	3.2
160.01511	0.2
175.02493	0.4
175.03914	2.2
177.01819	0.3
185.05986	0.6
189.05336	0.4
191.05576	0.3
197.06015	0.2
199.03911	1.8
201.01875	1.0
213.05653	0.3
215.03371	0.4
217.04994	1.0
241.04909	0.8
243.02966	1.0
255.02980	0.4
257.04547	0.5
267.02789	0.3
271.02386	0.5
284.03299	0.5
285.04025	100.0
286.04379	7.7
293.54193	0.2
297.04041	0.7
298.04538	0.3
299.01959	0.8
299.05362	0.3
300.02707	1.0
301.03418	0.6
308.46005	0.3
327.05093	1.3
328.05511	0.4
355.04541	0.4
357.06177	1.3
381.06204	0.3
448.09399	0.4
449.10266	0.4
461.07245	67.5
462.07663	7.7
463.08646	1.3
464.08859	0.4
921.41724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47595	1.3
69.03328	1.2
71.01249	27.2
71.52896	1.8
73.02812	3.2
75.00739	1.6
83.01257	3.4
85.02821	5.3
87.00742	3.4
89.02331	2.1
89.26540	1.3
93.03321	1.6
95.01269	1.9
96.48186	1.3
96.95927	1.9
97.02808	1.7
99.00782	2.2
101.02322	7.3
102.98460	3.6
105.69370	1.4
109.02777	1.6
111.00752	1.4
113.02310	9.6
117.03352	11.6
119.04920	2.5
121.02805	2.8
125.02338	6.9
129.01834	44.8
132.02065	22.4
133.02834	4.8
134.03633	53.6
135.04337	2.6
137.02348	5.2
139.03894	1.8
145.02863	25.3
145.09961	1.2
149.02332	1.9
149.05998	9.1
151.03952	1.5
155.10925	1.5
160.01564	85.1
161.02138	4.2
165.01813	2.1
175.02583	3.1
175.03917	89.5
176.04327	5.3
177.01814	1.3
177.05437	8.5
178.02637	10.5
179.03456	1.4
185.06061	1.3
188.42229	1.2
189.05496	2.7
192.04185	3.4
193.04980	59.2
194.05307	2.6
197.06061	1.9
206.99643	1.8
207.06664	1.3
209.11774	4.9
225.05565	4.1
226.06300	100.0
227.06580	6.9
235.06133	3.0
241.08665	37.8
242.09076	3.3
247.06142	2.9
250.06215	1.2
265.07178	7.3
279.06802	1.5
290.65869	1.3
295.10022	2.1
319.08276	5.4
337.09296	9.0
353.10318	5.6
449.11017	3.8
481.13577	15.3
482.13895	2.3
499.14636	29.7
517.15784	9.0
541.15582	47.3
542.16364	7.4
559.16760	19.5
611.16193	19.2
612.16071	3.5
626.23181	1.9
629.17029	12.7
630.17322	2.9
671.18073	16.7
672.18335	2.8
675.19244	4.1
705.20630	4.1
735.21411	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	911.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09081	0.2
66.19885	0.2
69.18954	0.3
69.19257	2.5
71.01262	0.8
80.24655	0.2
85.02813	0.4
87.00729	0.6
93.04459	0.4
95.01302	0.3
98.20536	0.6
101.02342	0.6
104.02497	0.4
113.02345	0.8
117.03345	0.9
119.04876	0.5
123.04417	0.4
125.02348	0.8
132.02060	31.3
133.02962	1.8
134.03630	11.3
135.04509	1.3
136.01617	0.3
137.02313	0.9
137.03413	0.4
145.02840	0.6
147.04443	0.4
149.05956	1.6
150.03166	0.3
154.06111	1.8
159.04414	0.4
160.01563	98.7
161.02180	5.9
163.03873	0.4
165.05478	0.3
173.04585	0.3
175.03915	100.0
176.04254	4.2
178.02600	2.1
179.03415	1.0
182.19681	0.3
187.03908	0.8
188.04655	0.5
191.07083	0.4
193.04977	8.8
193.06781	0.4
202.02585	0.3
207.06807	0.4
209.11760	0.4
211.13420	0.2
217.05067	1.0
247.06175	0.7
265.07242	0.6
296.22437	0.3
337.09192	0.8
350.43036	0.2
475.49933	0.3
496.69260	0.2
499.14026	0.3
513.14056	2.4
514.14337	0.3
528.21991	0.3
541.16193	0.4
559.16541	1.6
648.85052	0.2
675.19086	4.3
676.19781	0.7
693.19934	1.5
717.20129	1.3
718.21259	0.4
735.21375	12.0
736.21576	2.3
851.23877	3.8
852.24292	0.5
869.24841	0.9
911.26031	9.5
912.26202	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	909.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02976	0.3
66.56713	0.3
68.93377	0.3
70.32265	1.0
71.01244	0.5
88.98676	100.0
89.99023	0.6
96.95864	1.0
97.87785	0.3
116.92693	0.7
119.04881	0.4
128.03409	0.7
132.02130	0.3
133.02838	0.5
145.02817	0.4
150.03163	0.3
151.03888	0.4
160.01595	1.7
161.02213	0.7
163.04004	0.4
171.35094	0.3
175.03925	1.6
209.11801	0.4
209.74870	0.3
249.05540	0.4
292.78329	0.4
327.08710	0.4
596.70508	0.4
629.78363	0.3
767.98248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.5
71.01251	21.4
71.04878	2.0
72.01572	1.7
73.02808	4.5
74.24134	1.6
75.00729	1.4
78.95770	8.8
80.53793	1.2
80.96391	2.3
85.02815	5.4
87.00750	6.1
89.02323	12.5
95.01224	1.4
97.02814	5.9
97.06461	1.8
99.00764	10.0
101.02328	16.2
109.06461	2.6
110.03634	1.5
111.04430	1.5
113.02321	5.2
119.03375	3.7
125.02330	4.8
125.09599	6.2
152.99454	9.8
161.04416	2.7
163.11189	6.5
165.80557	1.4
171.10194	12.4
179.05516	2.9
181.12294	12.6
197.11720	3.8
199.13271	10.1
201.11308	9.3
207.10219	24.3
215.12909	2.3
225.11267	42.3
226.11526	1.9
235.08141	2.2
243.12393	11.3
277.21716	46.5
278.22043	4.7
333.95209	1.5
338.57947	1.5
379.12408	2.8
387.25345	3.2
397.13565	17.2
415.14661	4.0
431.22113	4.7
577.37958	1.5
605.24634	2.9
622.14124	1.6
623.25354	2.9
701.01630	1.4
701.14075	1.7
784.24054	1.9
883.46942	12.7
884.47015	5.0
901.47882	100.0
902.48474	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	4.9
69.26479	9.0
71.01249	34.1
72.99175	10.2
73.02817	5.7
75.00741	34.4
81.03339	2.6
83.00803	1.4
83.01253	4.1
85.02820	12.9
87.00741	32.3
89.02312	11.5
89.44647	1.2
89.87923	1.5
91.14207	1.4
95.01289	1.5
97.02813	5.9
97.06475	2.3
98.20590	2.3
99.00757	2.9
101.02320	12.7
102.98817	1.2
109.02814	4.7
111.00773	2.1
111.94870	1.3
113.02315	8.6
115.00251	48.7
115.01065	2.4
115.03889	1.6
117.27992	1.2
119.03355	2.3
123.04385	3.5
123.08052	2.6
125.02322	3.5
125.09613	2.2
127.00308	1.5
127.03875	5.0
129.01897	1.7
131.32057	1.2
135.02850	2.1
139.03844	1.6
144.03581	1.3
151.11147	2.7
160.41943	1.3
161.04463	1.4
161.09599	3.9
169.04955	4.2
169.12221	3.3
171.10187	20.5
171.23950	1.3
175.02394	77.6
176.02707	2.2
179.05685	1.4
179.10678	5.7
193.12268	2.0
195.13887	2.0
197.11752	69.6
198.12083	3.7
199.62932	1.2
204.15253	1.2
207.10271	1.7
209.11757	2.3
211.13278	2.6
221.11734	1.4
223.13313	4.3
225.11325	1.7
235.08101	3.1
235.13272	3.7
239.12854	5.1
241.14423	5.4
245.11697	2.3
253.09250	4.9
263.12814	2.3
267.12418	2.5
277.21707	88.5
278.22006	7.0
279.70465	1.3
285.13425	10.0
285.21844	1.5
297.13284	1.4
318.99252	1.4
397.13632	3.4
503.21393	3.5
521.22589	4.1
699.58905	1.5
737.41669	3.0
765.44073	1.6
779.42346	5.9
781.43823	55.1
782.44189	10.1
803.41895	3.7
811.44141	1.8
812.45154	1.7
821.43323	8.3
822.42792	2.2
839.44727	4.6
899.46393	100.0
900.46954	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
64.74261	0.5
65.36496	0.5
69.03329	4.1
71.01254	21.9
71.04890	1.4
72.99173	3.8
73.02825	2.6
75.00742	8.0
78.95753	0.6
81.03318	0.9
83.01241	2.1
83.04911	0.7
85.02826	6.1
87.00228	1.0
87.00751	17.7
89.02316	8.7
95.01263	1.4
97.02823	3.8
97.06480	0.6
98.20589	1.2
99.00746	1.5
101.02320	9.4
109.02824	2.3
111.00751	0.6
111.04397	0.6
112.77319	0.6
113.02320	4.1
115.00256	28.3
115.03735	0.7
119.03374	1.9
123.04398	1.4
123.08058	1.5
125.02320	2.5
125.09607	1.2
125.51682	0.5
127.03952	3.3
129.01859	0.8
131.03433	0.6
135.02823	1.3
143.03386	1.5
151.11185	1.5
153.12746	1.7
157.01207	0.6
161.04477	1.1
161.09619	1.9
169.04971	1.1
169.12193	1.3
171.10176	9.2
175.02396	52.0
176.02702	1.4
179.05583	0.8
179.10686	3.8
193.12228	0.6
197.11763	56.9
198.12102	1.9
209.11771	0.9
209.15335	0.6
211.13336	1.1
221.06618	2.0
221.11638	0.6
223.09657	1.0
235.08257	1.0
239.12778	0.5
241.10773	3.4
241.14362	1.2
245.11833	0.8
253.09259	1.2
263.12918	1.0
267.12332	1.2
277.21713	27.5
278.21970	3.0
285.13431	3.0
297.13358	0.9
349.24484	0.5
397.13620	3.0
415.14569	1.1
503.21408	0.8
521.22260	1.7
529.90125	0.6
545.18207	0.6
639.25452	1.5
707.66583	0.7
737.40656	0.8
781.43707	9.0
782.44073	1.9
803.42017	0.8
821.43951	1.5
839.43835	1.1
899.46442	100.0
900.46771	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	899.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39652	0.5
71.01242	0.7
79.95609	24.5
85.02841	1.1
89.02348	0.5
93.02759	0.4
93.03342	0.5
96.95889	3.1
101.02364	0.8
113.02277	0.5
115.39310	0.5
115.66043	0.5
121.02840	7.8
122.03645	1.1
123.00785	0.7
125.02341	0.7
128.57394	0.6
133.02853	0.6
134.03635	2.0
135.04388	0.8
136.01563	36.6
137.02019	1.7
140.04214	0.5
149.06006	0.5
151.03917	54.3
152.04245	2.1
160.01581	2.0
161.02412	0.4
163.03946	1.0
175.03865	3.0
175.07536	0.8
177.01845	0.5
179.03430	1.0
190.67188	0.5
193.05005	1.7
223.06244	0.5
226.06325	7.6
241.05032	0.6
241.08652	7.5
242.08958	0.6
285.04056	0.8
311.13004	0.6
342.11057	2.8
357.13434	12.2
358.13898	1.4
361.23669	0.5
437.09116	100.0
438.09369	11.0
438.14807	0.9
473.53662	0.5
499.14578	1.4
517.15936	0.7
559.16614	1.6
624.91736	0.6
716.00183	0.6
831.28882	0.6
879.47028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	23.6
72.99178	3.3
73.02812	2.9
73.11674	0.9
75.00728	1.2
80.96387	3.3
83.01232	2.2
83.04897	1.3
85.02818	4.8
87.00748	16.8
89.02316	11.6
97.02835	3.5
98.20667	2.3
99.00756	6.0
101.02335	9.5
109.02798	1.3
112.98660	2.3
113.02327	5.2
115.00252	20.0
116.98338	0.9
119.03380	2.0
125.02326	3.9
125.09596	4.8
127.11166	4.4
128.64503	1.0
135.63918	1.1
137.09656	1.4
138.78084	1.1
142.99779	1.1
143.03365	2.0
143.15886	1.2
147.14969	1.0
155.10674	2.5
161.04491	2.2
163.11182	4.0
165.09036	1.9
171.10188	2.1
175.02405	35.1
175.03940	1.8
176.02736	1.1
181.12292	4.9
183.10255	1.5
199.13290	4.4
201.11249	42.5
202.11606	2.5
207.10179	8.1
209.11809	6.5
221.06604	1.2
225.00648	1.9
225.11305	14.5
229.69319	1.6
233.72012	1.0
235.08191	3.2
239.12633	1.6
243.12343	4.1
253.09300	1.5
255.23276	51.9
256.23624	3.8
277.21753	6.2
397.13431	7.8
415.14169	2.2
555.28149	2.3
605.24872	1.5
684.75049	1.3
763.42261	2.1
765.41522	1.8
861.48883	8.1
862.49078	1.8
879.49017	4.5
880.43616	1.4
897.50562	100.0
898.50677	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.7
71.01251	100.0
81.03334	3.3
83.01255	3.5
85.02831	8.7
87.00781	5.3
88.98668	4.8
89.02310	19.5
97.02827	7.0
101.02303	14.7
109.01987	2.7
109.06458	13.8
113.02312	10.4
119.03384	5.7
119.04932	4.0
125.02350	8.6
161.04593	2.8
163.11188	8.9
171.10161	10.3
179.05534	4.6
181.12395	2.8
183.13899	7.5
192.08199	2.8
199.09605	2.9
199.13365	3.0
201.11224	6.2
207.10196	40.4
209.11673	11.8
211.13341	79.8
212.13690	3.9
225.11255	25.8
226.11594	3.6
227.12880	9.8
235.08064	4.1
243.12373	3.2
379.12491	5.6
391.25192	3.0
397.13550	27.6
401.23398	3.1
415.14487	8.6
419.24411	4.8
500.57953	2.7
537.66870	2.9
623.25793	5.4
784.96704	2.7
799.37836	11.8
817.38617	24.8
818.39044	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	887.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	10.4
64.40305	1.6
64.77489	1.4
65.78757	1.6
69.08350	1.4
71.01252	20.7
71.53448	1.5
73.02795	2.7
75.00739	2.7
78.95789	1.9
81.03309	1.8
83.01281	2.2
83.04874	1.9
85.02813	5.2
87.00743	4.8
87.16801	1.2
89.02308	14.6
89.36342	1.3
95.01292	1.7
97.02818	2.0
97.32562	1.4
99.00732	1.7
101.02327	10.9
113.02315	5.3
119.03384	4.4
125.02322	5.0
125.09583	1.9
139.11206	2.0
143.03409	2.1
161.04521	2.9
167.10715	1.5
171.10133	1.9
185.11758	33.8
186.12111	1.9
209.11783	27.7
210.12134	10.7
211.12329	3.2
219.14299	1.5
221.06616	1.4
227.12897	5.7
228.13113	2.8
235.08240	2.7
277.21735	43.6
278.22049	11.0
279.22751	4.6
293.82690	1.7
379.12500	2.5
397.13565	15.6
398.13861	6.6
399.13919	2.9
407.47232	1.3
415.14642	3.0
417.14890	2.0
587.21118	1.6
887.46527	100.0
888.46826	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	1.7
69.03327	1.5
71.01259	12.7
71.53659	1.1
72.99170	1.2
73.02818	1.9
75.00726	1.0
83.01246	1.1
85.02806	2.7
87.00721	2.1
89.02317	11.0
95.01272	1.3
97.02823	2.1
97.05615	0.9
99.00751	1.1
101.02328	8.9
113.02306	4.5
119.03373	2.3
125.02314	2.9
127.11159	1.5
143.03439	1.7
151.11177	3.4
161.04459	1.6
169.12263	18.4
170.12535	1.1
171.10179	42.5
171.11636	2.1
172.10544	1.3
213.11185	1.2
221.06683	1.5
235.08237	1.7
258.91833	0.8
277.21713	35.1
278.21964	4.6
331.64407	0.9
369.06949	0.8
371.15933	1.0
379.12393	1.4
397.13773	5.7
466.36743	0.9
704.10760	1.1
871.47424	3.8
872.48993	1.3
889.47986	100.0
890.48383	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	889.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	1.7
67.14635	0.9
68.16056	0.9
71.01254	11.4
71.53392	1.3
73.02805	2.9
78.17767	0.9
78.95758	3.2
83.01258	1.5
85.02816	2.8
87.00744	2.4
89.02319	9.4
95.01270	1.0
96.95911	0.9
97.02831	1.4
101.02325	9.7
105.00758	0.9
110.39038	0.9
113.02340	4.6
119.03390	1.5
125.02310	3.6
125.09592	1.2
126.63908	0.8
127.11164	1.3
132.85094	0.8
143.03404	1.1
151.11177	2.8
152.99583	1.1
161.04407	2.1
169.12267	21.4
171.10175	55.5
172.10489	2.6
179.05449	1.5
201.07390	1.1
209.11829	1.0
213.11302	2.6
221.06763	1.6
222.10449	1.0
231.12270	1.6
235.08156	2.3
277.21686	21.0
278.21967	1.6
279.23248	1.4
379.12485	2.0
386.45822	0.9
397.13699	4.5
415.14343	1.6
458.46750	1.0
499.06192	1.1
871.46558	4.3
889.47961	100.0
890.48218	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	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.7
66.14485	0.4
69.03310	0.9
70.22097	0.4
70.73336	0.6
70.73674	1.1
71.01252	15.2
72.99171	1.3
73.02808	2.6
75.00711	0.5
76.79161	0.5
79.58225	0.5
81.03310	0.6
83.01247	1.7
85.02825	2.9
87.00759	4.0
89.02319	14.2
95.01266	1.5
97.02836	2.3
99.00769	1.3
101.01696	0.9
101.02323	10.6
103.00185	0.4
113.02332	6.6
117.21529	0.4
119.03372	3.8
125.02328	6.8
125.09602	1.0
127.11173	1.5
131.03381	0.8
139.03911	0.7
143.03394	2.5
153.09090	0.7
161.04417	3.1
166.08922	0.4
171.10179	100.0
172.10521	4.6
179.05565	3.2
185.11639	0.5
209.11737	0.9
217.07083	1.0
221.06630	1.6
235.08185	4.4
245.06708	0.7
253.09274	0.9
259.08301	1.1
277.21716	56.4
278.22046	4.7
287.07672	2.7
305.08893	2.3
323.09775	1.2
379.12396	13.7
379.16968	0.9
380.12802	1.0
397.13480	38.5
398.13748	2.6
415.14612	7.4
416.15173	0.7
432.31012	0.5
551.23248	3.1
569.24298	3.0
570.23999	0.5
657.34564	0.9
675.35907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4638
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98690	2.1
69.03317	2.1
69.86869	1.8
69.87264	1.4
71.01254	18.1
72.99178	1.3
73.02798	2.1
75.00739	2.7
80.43816	0.7
81.03289	0.6
83.01240	2.3
83.04871	0.7
85.02807	3.5
87.00738	3.1
89.02317	12.5
93.99792	0.7
95.01252	1.1
95.04909	0.9
97.02811	2.8
98.20541	1.1
99.00737	1.1
101.01705	0.8
101.02321	9.4
104.89667	0.6
111.00697	0.8
113.02297	5.2
116.92742	1.1
119.03383	2.9
123.08045	0.9
125.02341	3.9
125.09582	2.6
135.02914	0.9
139.11156	1.4
141.12726	1.8
143.03337	1.4
145.01341	0.7
161.04448	1.8
165.01714	0.8
167.10658	2.3
171.10149	2.5
173.67139	0.7
179.05518	1.8
185.11749	64.9
186.12106	3.2
199.13252	0.9
201.11244	1.9
209.11768	4.0
210.12076	1.7
211.09685	0.8
211.13474	0.9
221.06633	3.8
227.12819	8.3
228.13139	3.9
229.10701	1.7
229.13347	0.9
233.15434	1.6
235.08189	1.7
265.11383	0.8
277.21719	22.6
278.22012	3.6
279.22549	1.0
379.12216	1.2
397.13474	10.8
398.13757	2.6
399.13922	1.5
415.14481	2.8
547.90613	0.7
609.23254	0.7
627.25336	1.4
887.46417	100.0
888.29144	1.4
888.46771	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33862	0.8
69.23905	6.2
71.01254	11.5
72.10795	0.8
72.99186	1.5
73.02831	1.2
78.36609	0.7
80.96345	0.9
83.01257	1.6
85.02865	3.8
87.00719	1.1
89.02311	6.5
89.03848	3.2
93.03388	1.3
94.16927	0.8
94.43485	0.9
95.01246	0.9
97.02821	1.2
99.00752	0.9
101.02325	6.2
113.02311	4.4
117.03336	5.1
119.03368	2.1
124.01592	1.3
125.02320	1.9
125.97832	0.8
128.37804	1.1
132.02057	23.6
132.03584	0.9
133.02856	2.7
134.03632	78.3
135.04143	2.7
137.02328	2.0
143.03351	1.3
147.04482	0.9
149.05968	6.7
159.04257	0.9
160.01569	100.0
161.02159	4.7
161.04471	1.0
164.04822	0.9
173.04524	2.3
175.03923	80.5
176.04262	3.8
177.01744	0.8
178.02672	3.4
179.03430	1.5
193.04994	42.9
194.05327	1.7
333.04330	1.0
425.01535	0.9
670.36511	1.1
693.29718	2.7
711.30457	2.8
725.30017	3.2
887.35541	90.0
888.35809	18.5
891.87976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64642	0.4
64.95210	0.5
71.01253	10.4
72.99174	1.2
73.02810	1.4
83.01248	1.3
85.02817	4.1
85.65870	0.4
87.00768	1.1
89.02312	6.8
89.03845	2.7
95.01257	0.9
97.02805	0.5
99.00733	0.5
101.02327	6.5
109.02860	0.4
111.00748	0.5
113.02331	3.9
117.03349	5.8
119.03395	2.1
119.04913	0.4
121.02788	0.8
123.00784	0.4
124.01550	1.8
125.02322	1.3
132.02065	23.5
133.02794	1.7
134.03629	79.9
135.03859	3.0
137.02351	1.3
137.09567	0.4
139.03889	0.6
143.03323	0.7
149.05983	7.0
150.06287	0.4
160.01569	100.0
161.02039	6.0
161.04469	1.1
163.03854	0.5
173.27026	0.4
175.03922	85.6
176.04253	4.1
177.01831	0.5
178.02655	3.5
179.03430	0.8
179.05542	0.6
191.06990	0.4
193.04991	45.2
194.05246	1.8
202.02699	0.5
207.13699	0.4
214.39276	0.4
222.92467	0.4
260.95316	0.4
261.87598	0.4
285.04065	0.7
387.20392	0.7
468.51859	0.5
528.44916	0.5
530.50354	0.4
531.24432	1.0
549.24377	0.5
693.29803	1.7
711.30725	2.0
712.31226	0.6
725.30353	2.0
801.74500	0.5
819.21899	0.5
887.35504	76.4
888.35803	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	886.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
70.12731	0.7
70.13082	0.2
78.95786	0.4
79.95605	0.3
80.01275	0.2
80.96386	0.5
89.25047	0.2
98.20497	0.2
118.95432	0.2
209.11871	0.7
277.21738	0.5
278.22263	0.3
279.22983	0.2
367.39456	0.2
772.00934	0.3
812.51215	0.3
886.50928	0.3
887.48730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	4.9
68.99696	0.5
69.03326	2.2
69.67127	2.3
71.01248	18.2
71.04889	1.6
71.07412	0.3
72.99177	1.8
73.02820	3.1
75.00750	1.4
80.96353	0.5
81.03333	1.4
83.01256	3.3
83.04902	1.3
85.02827	5.1
87.00747	10.9
89.02310	9.1
95.01266	1.5
95.04884	0.5
97.02826	13.4
97.06454	2.2
98.20618	0.6
99.00755	25.0
100.01093	0.6
101.02323	10.5
109.02809	0.8
109.06483	2.7
110.03617	1.5
111.00784	0.6
111.04386	0.6
113.02333	6.1
115.00249	6.0
115.03889	0.5
119.03358	2.6
121.02803	0.5
121.06488	0.4
123.04326	0.6
123.08043	1.3
124.01600	0.5
125.02335	9.7
125.09603	6.6
131.03384	0.6
135.08032	1.5
136.05219	2.1
137.02380	0.4
139.00262	1.3
139.03946	0.7
141.01663	0.9
142.02606	3.7
142.99741	0.4
143.03384	1.7
157.01311	1.5
161.04451	1.6
161.09651	1.1
163.11197	12.0
164.11546	0.7
173.05011	0.4
175.02383	10.1
175.03928	0.5
179.05505	1.6
179.10721	0.9
181.12254	22.5
182.12624	1.6
197.11754	1.2
199.13318	4.1
201.11266	0.9
207.10196	65.1
208.10579	3.9
209.11765	0.9
210.29021	0.4
211.13304	0.7
219.05022	0.9
221.06650	2.2
223.13333	1.5
225.11266	100.0
226.11656	5.4
235.08134	3.5
239.12952	0.6
241.14474	0.6
243.12340	35.6
244.12791	2.1
253.09241	1.2
261.14914	0.6
263.07581	2.1
267.12332	0.6
277.21719	54.1
278.21973	4.6
281.13721	0.6
287.07675	1.1
299.14938	1.1
305.08963	0.5
309.20746	0.4
317.15930	3.3
327.21799	0.9
379.12555	2.4
387.16452	0.4
397.13464	8.7
398.13776	0.9
415.14606	1.9
425.18219	0.8
443.19321	0.5
461.20462	1.0
577.37421	0.5
605.24481	24.2
606.25031	3.4
623.25513	26.2
624.26031	3.3
721.41852	0.7
765.43799	0.5
779.45624	0.5
803.46198	0.5
821.46857	0.7
883.46912	72.2
884.47198	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	882.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98415	0.2
71.01263	0.2
85.02869	0.1
85.44789	0.1
87.00747	0.1
88.98696	0.2
99.44389	0.1
101.02368	0.1
113.02303	0.1
125.02316	0.1
128.75064	0.1
132.02065	1.4
133.02824	0.1
133.11806	0.1
134.03624	0.8
135.04338	0.1
137.02333	0.1
145.02861	0.1
149.06007	0.1
160.01569	4.9
161.02061	0.3
175.03915	5.0
176.04272	0.3
178.02602	0.1
180.71759	0.1
193.05003	0.7
194.05325	0.1
209.11778	0.1
226.06364	0.1
250.31310	0.1
265.07330	0.1
285.04205	0.1
299.01071	0.1
319.08310	0.1
513.14020	0.1
583.17450	0.1
601.17944	0.2
625.17834	0.1
643.18982	0.2
682.11859	0.1
759.21350	0.2
777.22516	0.5
778.22961	0.1
819.23615	2.1
820.23755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	9.5
65.07633	1.4
71.01250	23.9
72.99181	2.8
73.02818	4.1
78.95783	7.1
81.03328	3.2
83.01264	2.8
83.04871	4.6
83.51024	1.4
85.02809	5.9
87.00739	6.4
89.02307	19.4
90.67760	1.3
95.01285	2.5
95.04904	1.6
97.02813	2.9
98.20563	3.6
99.00755	3.4
101.02318	21.2
104.82723	1.3
113.02306	10.0
114.36229	1.3
119.03380	5.6
125.02319	7.5
127.11177	5.0
131.03442	1.5
142.99773	1.8
143.03368	4.2
152.99500	13.3
161.04413	6.4
163.11157	3.6
165.09149	1.5
165.12743	2.2
171.10081	2.8
174.01614	2.9
179.05498	5.7
201.11246	78.4
202.11606	3.9
209.11761	100.0
210.12074	5.8
211.13313	5.4
227.12808	9.7
235.08148	7.5
253.09221	2.4
255.23253	78.7
256.23575	8.8
277.21652	6.6
287.07584	3.2
293.21310	2.1
305.08707	2.7
323.09991	1.8
379.12396	14.5
397.13467	71.2
398.13788	6.7
415.14493	13.1
433.23120	2.5
459.28769	1.5
581.24628	2.6
589.25482	2.8
599.25385	1.8
653.37646	8.3
654.37274	2.7
775.80103	2.3
881.48694	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54316	1.5
61.98706	24.2
69.03313	5.9
71.01257	20.9
71.01630	2.9
71.04897	3.0
71.19853	2.1
71.20190	2.1
72.99177	7.0
73.02804	3.7
75.00738	18.1
80.02551	2.1
80.96386	1.6
81.03327	3.5
83.01246	7.0
83.04912	9.8
85.02818	8.2
87.00736	13.5
88.98685	2.0
89.02306	11.9
95.01265	2.8
95.04911	2.8
96.95860	1.8
97.02840	2.3
99.00748	2.1
101.02324	13.2
109.02813	3.8
113.02309	6.0
115.00251	18.2
117.03342	4.2
119.03342	4.0
123.04385	2.6
125.02334	6.0
125.05931	1.8
125.09588	2.2
132.02083	2.1
133.02859	2.7
134.03625	2.5
135.02863	2.2
145.02849	13.3
151.11176	4.3
160.01630	8.1
161.04471	2.4
161.09633	3.1
163.11215	6.3
165.12752	4.2
169.12215	3.1
171.10156	11.2
175.02394	19.9
175.03914	5.6
179.10703	6.6
191.10742	2.4
193.05008	2.5
197.11761	61.6
198.12093	5.5
207.10129	2.3
209.11769	100.0
210.12041	8.0
225.11299	2.5
227.12820	8.6
239.12737	2.8
241.10880	2.6
241.14456	3.3
253.09291	4.0
285.13455	5.3
337.22195	1.9
355.46182	1.9
397.13586	2.7
445.20840	2.7
503.21109	1.9
521.22620	2.8
713.33582	5.5
731.34949	34.5
732.34644	8.6
761.35889	4.4
771.34351	1.9
789.33740	2.2
803.36993	6.3
849.37634	70.6
850.38318	15.9
881.40247	29.4
882.40259	7.6
900.00586	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	881.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	4.8
62.12753	0.6
67.01794	1.1
69.03301	2.8
69.21441	2.1
69.21867	2.9
71.01255	7.5
72.99205	0.8
73.02837	1.5
75.00768	1.2
81.03352	1.8
83.01295	1.9
83.04889	0.6
85.02818	4.0
87.00777	2.1
88.98687	1.8
89.02341	1.7
93.03382	0.9
95.01255	3.0
96.95895	1.3
97.02864	1.9
99.00792	1.7
101.02331	4.0
108.02054	0.7
109.02853	1.1
111.00737	1.2
111.04428	0.8
113.02320	5.3
115.00256	2.8
117.03345	19.7
118.03706	1.2
119.03487	0.7
119.04929	5.7
123.00754	2.8
123.04424	1.1
125.02365	5.8
132.02061	26.6
133.02924	3.0
134.03624	31.8
135.04398	2.4
137.02370	2.1
137.64606	0.6
139.03831	0.6
141.01826	10.5
143.03455	1.0
145.02847	47.0
146.03218	1.9
147.04454	0.7
149.06003	5.8
153.01834	1.0
160.01564	96.4
161.02106	6.6
161.04436	1.1
161.05832	0.6
163.03908	2.7
163.11195	0.8
166.99837	1.3
169.01320	5.1
171.10178	0.8
175.03911	100.0
176.04254	5.9
177.01753	1.3
178.02626	5.2
179.03413	1.6
189.05348	0.7
191.06990	1.0
193.04976	30.2
194.05290	1.5
197.05975	3.9
197.11754	2.5
203.03438	0.8
209.11752	6.0
211.13228	0.7
217.04933	1.7
223.02228	0.8
225.05525	7.4
226.06296	69.2
227.06677	6.5
227.12727	0.8
235.06053	1.5
240.07828	2.0
241.03416	0.9
241.08655	30.0
242.08945	2.1
245.11729	1.0
247.06030	2.1
249.05357	0.9
251.07127	1.2
261.05444	1.1
265.07059	5.2
277.04929	1.9
278.05673	2.3
279.06583	0.9
280.07251	1.9
295.09610	2.7
304.05762	0.9
306.05295	6.3
307.08289	0.7
319.08212	5.4
321.04245	0.8
321.07666	13.0
322.07886	1.4
337.09372	3.2
339.08624	0.9
340.08920	0.6
357.09656	0.8
373.08939	0.9
417.08240	4.1
418.08023	0.9
481.13608	4.5
482.13095	0.8
483.12854	3.1
499.14728	4.8
500.14413	0.7
517.15192	1.9
541.15631	7.2
542.15472	1.1
559.16455	3.8
579.13531	17.4
580.13647	2.9
597.14471	4.3
639.15601	30.4
640.16168	5.6
645.17377	2.5
663.18915	1.1
687.18311	1.6
705.20428	11.0
706.19672	2.0
731.35388	3.4
735.20306	1.9
753.32288	0.9
771.33563	0.8
803.36322	0.9
821.22406	3.3
821.34900	0.7
822.23077	1.3
881.24640	8.1
882.25677	2.8
902.25854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2508
Annotation	Smilaside E
Peak:m/z	Relative Intensity
61.98685	0.5
70.19332	0.5
70.19688	1.0
71.01256	0.8
75.00762	0.4
81.37080	0.3
85.02816	0.6
87.00753	0.5
93.03329	0.9
97.02850	0.3
101.02365	0.4
104.02572	0.4
105.03315	0.3
111.65235	0.3
113.02341	0.9
116.66479	0.3
117.03348	29.6
118.03708	0.6
119.04917	8.2
121.02878	0.4
127.05749	0.3
132.02066	31.0
133.02589	1.1
133.02762	1.1
134.03621	10.7
135.04379	1.4
136.43886	0.3
137.02319	0.7
140.43741	0.3
143.04898	0.4
145.02853	81.5
146.03154	3.1
149.05984	1.8
159.04422	0.7
160.01567	100.0
161.02211	8.0
163.03906	4.4
169.03052	0.3
171.04442	0.7
173.05949	0.6
175.03920	99.4
176.04256	5.3
177.05455	0.4
178.02621	1.5
179.03383	1.0
187.03976	0.4
191.07007	0.6
193.04982	9.1
194.05292	0.4
195.06258	0.4
208.42261	0.3
217.05020	1.9
227.36330	0.3
247.06102	0.4
259.06079	0.4
265.07214	0.9
265.63055	0.3
307.08133	0.5
319.08356	0.5
337.09351	0.7
483.12906	4.5
484.13065	0.5
559.16760	1.9
645.18250	3.9
663.19086	1.5
675.19037	0.7
687.19257	1.6
705.20300	16.7
706.20667	3.3
735.21259	3.2
736.21857	1.0
821.23151	3.6
822.23486	1.7
839.23615	0.8
881.25104	16.1
882.25391	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	2.7
66.27052	0.3
66.43610	0.3
70.69962	0.4
71.01243	1.5
74.76684	0.3
79.80532	0.3
83.01237	0.5
85.02834	0.8
89.02313	0.4
99.00767	0.4
101.02319	0.6
104.02578	0.4
113.02329	0.6
117.03344	28.3
118.03693	0.7
119.04913	8.0
121.02822	0.7
125.02328	0.6
129.01830	0.5
132.02065	30.7
133.02800	1.4
134.03633	9.7
135.04382	1.3
137.02313	0.7
143.04961	0.5
145.02852	72.9
146.03181	3.1
147.04384	0.6
149.05988	2.1
159.04405	0.5
160.01566	100.0
161.02231	7.7
163.03914	4.6
171.04504	0.5
173.06042	0.7
175.03917	97.1
176.04265	5.4
177.05437	0.4
178.02641	1.3
179.03401	1.2
191.07056	0.5
193.04967	9.3
194.05365	0.4
209.11783	0.9
217.04974	1.8
226.06297	1.4
235.06122	0.7
241.08661	0.7
265.07190	0.7
269.41251	0.3
273.17285	0.5
314.20654	0.4
319.08273	0.7
397.13730	0.4
483.13019	3.9
499.14102	0.6
541.15393	0.6
559.16602	2.5
645.17914	3.7
645.25757	0.3
663.18860	1.7
675.19580	0.5
687.19025	1.5
705.20276	15.9
706.20709	3.4
735.21289	3.4
821.23090	3.6
822.23151	0.6
839.23846	0.9
881.24988	11.9
882.25500	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	881.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	1.7
82.24017	0.7
83.01254	3.6
85.02795	0.7
89.03876	0.7
89.65073	0.6
93.03347	1.8
95.01258	1.0
95.04925	1.5
97.02847	0.8
102.12933	0.7
105.03354	0.8
107.04878	1.4
109.02839	8.9
109.12933	0.7
111.04404	1.4
118.06368	0.7
121.02859	2.0
123.00791	2.1
123.04405	2.1
124.01564	0.9
125.02336	100.0
126.02675	3.2
131.04930	1.4
133.02843	4.2
135.04404	1.9
137.02344	16.2
138.03043	0.9
139.03923	7.5
142.37056	0.7
147.04393	1.1
149.02353	3.3
149.05927	1.1
151.03909	8.1
159.04454	2.5
161.02347	26.0
162.02913	2.2
163.00325	3.4
163.03951	2.6
164.01089	6.4
165.01862	10.2
167.03461	7.2
171.04405	1.2
173.05972	1.8
175.03925	11.7
177.01846	13.5
177.05531	1.9
179.03412	5.6
187.03960	2.7
189.01872	2.4
191.03438	0.8
191.07242	0.8
193.05008	1.2
199.03941	2.9
201.01888	1.9
201.05566	2.7
203.03413	3.3
204.04053	0.9
205.01382	1.4
205.04950	1.3
211.03917	1.0
213.05592	0.8
215.03273	0.9
217.01410	1.5
217.04959	6.0
219.02946	2.7
219.06528	3.7
221.04544	2.2
227.03323	1.5
229.05016	2.5
229.48378	1.2
231.02953	1.1
241.04955	1.7
243.02962	12.4
243.06624	1.7
244.03267	1.6
245.04495	9.5
245.08238	1.0
255.02975	8.2
256.03720	2.5
257.04596	1.7
261.04053	4.9
261.07541	1.0
269.04507	2.5
273.04108	1.6
281.04703	1.1
283.02438	5.7
285.04068	2.7
287.05646	19.0
288.06067	1.5
289.07300	2.1
297.04062	2.8
299.05612	2.2
303.05161	0.8
305.06696	20.4
306.07150	0.9
337.07431	0.9
355.08319	1.0
357.05997	1.1
387.05264	1.0
405.06281	3.7
407.07617	1.5
413.08890	5.7
423.07175	20.7
423.12518	1.5
424.07434	2.9
425.08835	2.1
441.08392	2.8
449.08728	3.9
465.08081	1.1
467.09698	7.0
533.11017	1.1
541.07629	2.1
543.09589	1.1
559.08441	1.2
561.10126	0.9
575.11804	7.1
576.12250	0.9
585.10590	2.1
591.12311	0.9
593.13025	8.0
594.13342	1.0
603.11401	1.1
711.13129	3.5
712.14539	0.9
713.15564	0.9
755.15662	1.2
881.18945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
74.21766	2.6
97.10480	2.5
107.95728	2.6
109.02815	10.6
111.29429	3.1
121.02853	8.1
123.04404	8.9
125.02329	100.0
133.02773	4.1
137.02325	19.8
147.87001	2.6
149.02324	4.5
151.03906	18.7
161.02350	25.0
164.01065	4.2
165.01846	4.2
175.03902	16.6
177.01848	57.3
179.03423	2.8
187.03903	5.9
199.03862	7.4
203.07080	4.7
205.05090	3.8
217.05020	12.4
219.02872	6.1
229.04964	3.3
243.02942	38.4
245.04555	8.0
255.02910	10.7
261.03934	15.4
269.04453	3.7
274.14236	2.8
282.01553	3.6
283.02542	3.6
285.03937	4.2
287.05621	12.8
289.07086	19.1
299.05759	6.2
303.05093	16.1
347.67078	3.0
405.06085	10.7
407.07623	17.2
423.07184	9.3
425.08676	12.9
451.10504	9.2
465.07843	5.8
466.07294	3.0
543.09259	10.3
559.10754	3.2
577.13330	11.6
591.10938	6.4
603.11328	3.4
695.13855	8.8
713.15265	3.5
755.16510	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3398
Annotation	Pusilatin E
Peak:m/z	Relative Intensity
60.70794	0.3
62.41830	0.3
65.32796	0.3
69.03326	1.0
69.20267	2.8
71.01255	4.4
72.99184	0.3
73.02808	0.5
85.02838	1.5
87.00761	0.7
89.02319	2.4
89.03838	0.4
89.25847	0.3
100.89379	0.3
101.02322	2.5
105.03354	1.0
107.04887	0.5
111.02733	0.3
113.02323	1.3
114.35823	0.4
117.03336	1.8
119.03378	0.9
123.04411	0.7
125.02341	1.2
132.02048	2.4
133.02847	43.9
134.03256	1.4
135.04411	15.8
136.04738	0.6
137.02321	0.4
149.02290	0.4
161.02348	100.0
162.02672	5.0
177.01712	0.3
179.03410	5.8
185.00824	0.6
711.28851	2.3
712.29572	0.7
873.33972	38.0
874.34338	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	877.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01724	0.5
69.03322	4.9
71.01254	14.2
71.04875	1.6
72.99163	1.4
73.02814	2.7
75.00738	0.7
81.03330	0.9
83.01244	1.7
85.02824	3.1
87.00755	3.1
89.02314	10.2
89.91534	0.5
95.01268	1.1
97.02827	2.0
97.06471	0.6
99.00725	1.3
101.02319	8.5
111.00744	0.7
111.04389	0.7
113.02326	4.1
115.00251	0.9
119.03400	2.1
123.08024	1.4
125.02335	2.2
125.09607	2.3
131.03305	0.4
143.03323	0.9
151.11198	2.6
153.12700	1.1
161.04449	1.2
161.09598	2.7
167.03481	0.4
175.02336	1.5
179.05562	0.7
179.10681	5.1
197.11763	35.3
198.12085	1.7
209.11734	2.0
221.06601	1.4
223.09674	0.7
235.08052	0.9
241.10881	2.3
241.13028	0.5
255.23259	46.2
256.23669	3.7
269.24850	0.8
323.26279	0.5
397.13403	2.8
415.14413	0.9
448.29736	0.4
585.34503	0.4
621.24200	0.6
639.24701	0.6
683.41742	0.5
877.47986	100.0
878.48358	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	1.6
69.03311	1.6
69.83318	3.3
71.01250	16.5
72.99167	2.0
73.02805	2.1
78.95760	1.8
83.01249	2.1
85.02802	3.7
87.00737	2.6
89.02319	10.2
95.04889	1.6
97.02805	2.5
97.06445	4.8
101.02319	8.6
113.02332	4.1
119.03375	2.2
125.02324	2.8
125.09595	0.9
131.96494	0.8
133.10063	1.0
151.11176	12.4
152.99417	1.1
161.04507	0.9
169.10797	1.9
169.12248	38.9
170.12535	2.2
179.05510	1.5
195.10138	1.4
213.11273	5.0
221.06592	2.2
235.08063	1.4
277.21704	33.5
278.21973	3.2
346.69788	0.8
397.13504	4.4
411.73047	0.9
415.14502	1.8
426.10306	0.9
441.25214	0.9
523.03851	0.8
535.28278	0.9
542.80933	1.0
593.24377	1.6
611.14008	1.0
611.24872	0.9
871.46899	100.0
872.47247	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	871.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.9
69.03298	1.0
70.13790	1.5
70.14155	1.8
71.01254	16.1
72.99165	1.8
73.02823	2.3
78.95770	1.1
81.03322	1.4
83.01253	1.9
83.04863	0.9
85.02790	4.2
87.00734	2.7
89.02318	11.3
95.01294	0.9
97.02831	2.3
97.06476	2.1
99.00768	1.1
99.40264	0.9
101.02307	11.0
113.02350	3.9
119.03389	2.3
125.02318	2.5
151.11191	11.4
152.99467	1.4
161.04454	1.6
169.12248	68.3
170.12630	2.4
196.03186	0.9
213.11263	9.4
221.06583	3.0
235.08151	1.4
263.07889	0.9
277.21750	17.6
278.22025	1.6
397.13501	3.0
415.14484	1.1
437.66476	0.8
442.26666	0.8
453.74280	0.9
484.11032	0.8
487.31796	0.8
593.24591	1.9
611.25696	3.9
871.46899	100.0
872.47235	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	868.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98404	0.2
63.96110	0.4
65.29118	0.1
70.84029	0.3
78.90585	0.1
79.95590	1.1
80.96395	0.5
105.70218	0.1
119.79116	0.1
148.94159	0.1
149.73228	0.1
172.31178	0.1
179.98994	0.1
182.35974	0.1
239.46191	0.1
277.21848	0.4
278.22275	0.3
279.22592	0.2
328.16934	0.1
355.04404	0.1
498.06122	0.1
589.68982	0.1
869.46973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40530	1.2
69.03312	1.1
71.01253	13.8
71.53645	1.6
72.99155	1.9
73.02813	1.9
83.01252	2.2
85.02825	7.8
87.00748	4.0
89.02321	6.8
89.03837	2.1
95.01216	2.1
95.78546	1.0
96.95874	1.2
97.02808	2.1
101.02335	9.2
113.02339	5.2
117.03355	6.9
119.03391	2.4
125.02334	5.9
132.02052	23.4
133.02847	2.2
134.03629	83.3
135.04114	2.0
137.02341	1.3
143.03369	1.4
147.02795	1.1
147.04349	1.6
149.02278	1.2
149.06001	6.3
151.00237	2.3
153.01801	1.3
160.01572	100.0
161.02245	6.6
161.04509	2.0
163.03918	1.5
175.03918	77.4
176.04329	4.9
177.01770	1.1
178.02559	2.7
179.03497	1.3
179.05521	1.7
189.05562	1.3
191.07030	2.8
193.04985	49.5
194.05357	2.4
225.92679	1.4
235.06017	4.7
285.04007	2.9
325.01434	1.4
330.93469	1.2
429.91870	1.2
691.30151	5.8
871.36053	72.7
872.36151	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	867.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	33.0
70.25409	1.0
71.01250	16.9
71.53107	1.1
72.99162	1.6
73.02794	1.7
80.96389	2.3
83.01239	1.3
85.02816	6.5
86.13403	1.3
87.00747	5.8
89.02322	14.3
94.04910	1.0
95.01264	1.6
97.02808	3.8
101.02325	14.4
113.02326	8.1
114.09702	1.1
116.69268	1.2
118.30788	1.3
119.03419	4.0
125.02323	7.4
127.11179	2.5
143.03406	3.6
161.04465	3.8
171.10179	100.0
172.10519	3.4
179.05544	2.1
221.06729	2.0
235.08200	7.5
255.23270	71.8
256.23618	6.3
277.03265	1.3
277.21579	2.7
287.07678	1.6
305.08853	2.0
378.21487	1.3
379.12509	20.3
380.12634	2.0
397.13489	41.4
398.13815	3.5
415.14542	8.1
551.23431	4.5
569.24731	1.8
635.36469	3.0
653.37604	5.2
704.37177	1.3
867.46979	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	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	28.4
64.30273	1.1
69.03318	1.6
71.01253	21.9
71.52435	1.6
72.99170	1.2
73.02822	4.1
74.13165	1.1
75.00736	2.2
79.95568	1.2
80.02572	1.6
80.96365	1.6
81.03325	1.7
83.01260	3.4
83.04897	5.5
84.02037	1.7
85.02835	5.7
87.00756	6.9
88.98719	1.9
89.02312	17.9
95.01257	2.0
95.04871	1.8
96.95883	4.5
97.02846	2.7
97.06519	1.3
99.00751	1.4
101.02323	15.0
109.02893	1.3
109.70680	1.1
113.01578	1.1
113.02332	8.2
115.00254	2.8
119.03411	5.1
119.04861	1.4
121.02788	2.0
125.02336	6.3
129.01810	2.3
133.02847	1.5
145.02904	2.6
160.01590	1.7
161.02403	2.3
161.04449	3.1
163.11182	4.7
165.12709	10.5
175.02380	4.6
175.03825	1.3
179.05531	1.6
181.12270	2.1
183.13828	55.5
184.14217	2.3
185.48390	1.2
191.10779	1.6
199.13412	1.6
209.08589	2.7
209.11771	65.0
210.12048	3.9
211.13345	6.0
212.13762	1.5
221.06606	2.6
225.11269	2.9
227.12857	9.0
235.08139	1.8
243.12630	1.3
395.11679	1.6
397.13586	7.0
404.88708	1.4
415.14584	2.1
515.16058	1.9
607.26532	1.4
625.26697	2.0
795.32483	1.9
817.39404	1.5
835.39709	100.0
836.40125	19.4
867.42383	12.1
868.42169	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	867.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.7
67.24043	2.5
69.03307	4.2
70.73598	3.0
70.73935	5.3
71.01253	26.5
71.04881	3.8
72.99180	4.2
73.02816	4.4
75.00731	9.0
81.03307	2.1
83.01262	4.1
83.04864	3.0
85.02822	7.1
87.00730	11.5
89.02319	12.3
91.00058	2.3
93.03321	3.3
93.24352	2.3
95.01250	2.8
96.95862	2.6
97.02809	8.5
97.06467	3.1
99.00760	20.1
101.02335	11.3
109.06494	4.2
113.02305	6.5
113.97239	2.2
115.00241	13.7
116.92722	2.3
119.03445	3.5
125.02322	8.0
125.09586	10.9
133.02876	2.3
134.39944	2.0
137.02342	5.1
137.09529	5.8
139.00282	2.4
139.03847	2.9
148.05200	52.7
161.02414	2.3
161.04449	2.7
161.09534	2.2
163.07542	44.7
163.11194	9.3
164.07880	4.1
165.01715	2.4
167.55235	2.0
171.10152	7.5
175.02399	22.2
175.03836	4.4
179.10741	2.8
181.12238	11.6
192.11490	12.8
197.11729	27.8
199.13295	9.5
199.23956	1.9
201.11273	27.6
203.05528	5.9
207.10197	30.6
207.13843	78.7
208.14204	3.6
209.11745	31.3
210.12099	3.4
221.06551	3.7
225.11284	46.5
227.12843	3.9
243.12338	23.3
244.12531	2.2
253.09158	2.7
285.03925	4.2
285.13388	6.0
485.55750	2.6
687.32910	3.2
705.33350	10.3
731.35028	10.5
732.36005	2.9
747.35370	2.4
789.35651	4.5
823.35016	3.0
849.37402	16.1
850.37677	3.4
867.38574	100.0
868.38849	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	867.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99178	1.1
61.68299	1.0
61.98705	6.4
71.01250	10.0
71.53261	1.0
73.02808	2.2
73.05874	1.1
80.02538	1.3
81.03316	1.7
83.04898	6.4
85.02823	3.6
87.00758	2.0
88.98694	2.5
89.02296	8.2
95.04845	1.4
97.02824	1.6
97.06428	1.1
101.02330	8.3
113.02333	3.7
116.92712	1.3
117.03339	2.9
119.03423	2.0
119.04906	2.3
125.02305	4.7
128.30708	1.3
132.02087	2.8
133.02847	7.2
134.03609	1.9
135.04436	6.8
137.02350	1.7
145.02852	6.9
160.01547	7.6
161.02345	21.7
161.04477	3.0
163.03944	1.7
163.11179	4.5
165.12749	2.2
166.62404	1.1
171.10159	2.6
175.03889	5.7
179.03403	5.6
179.05522	2.8
193.04950	1.3
209.11758	100.0
210.12088	4.5
227.12819	13.6
235.08147	2.4
242.84189	1.0
252.81100	1.1
259.15424	4.1
306.07819	1.3
327.21994	1.2
379.12442	2.5
397.13464	20.9
398.13712	2.0
415.14435	4.9
607.25800	2.1
691.18530	4.2
721.19183	1.3
745.18158	1.3
867.23364	4.9
896.88776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25928	2.2
69.26350	3.8
81.03344	0.9
83.01254	3.9
91.74610	0.8
93.03358	3.3
95.01284	1.2
95.04891	1.9
97.02828	1.9
105.03287	0.9
107.04906	1.5
109.02837	11.5
111.04341	1.1
121.02838	2.8
123.00793	2.5
123.04416	7.0
124.01585	1.2
125.02335	100.0
126.02676	3.1
131.04892	1.1
131.55476	0.7
133.02812	4.8
135.04434	1.6
137.02341	25.5
139.03926	7.0
145.02821	1.0
146.03624	0.9
147.04446	1.6
149.02351	3.9
149.06012	1.2
151.03906	8.7
159.04446	2.1
160.01530	0.9
161.02353	23.2
161.05986	1.8
162.02826	1.8
163.00279	4.2
163.03937	2.9
164.01059	20.9
164.02391	1.6
165.01833	11.1
166.02356	0.9
167.03423	5.5
173.02341	1.6
175.03920	10.4
176.01094	1.4
176.04311	0.9
177.01854	10.0
177.05533	2.3
179.03403	6.0
187.03928	3.0
188.04604	1.5
189.01831	1.9
189.05475	0.9
191.03401	1.5
193.05103	1.0
198.03070	0.8
199.03938	2.1
201.01974	1.1
201.05492	2.3
202.67245	0.8
203.03419	2.3
203.07101	3.5
205.01338	2.6
205.04994	2.3
210.10727	0.9
211.03929	0.9
212.04771	0.9
213.05482	1.5
214.02664	1.4
215.03470	1.3
217.01353	1.0
217.04961	4.1
219.02951	3.5
219.06578	4.3
221.04486	1.9
227.03464	2.1
227.07161	1.0
228.04219	1.0
229.05049	3.7
231.02870	1.0
238.12434	0.8
239.07123	0.9
242.05788	0.9
243.02948	9.3
243.06607	1.3
245.04498	8.3
245.08083	3.7
253.05008	1.3
255.02962	6.0
256.03705	3.3
257.04395	2.2
261.04013	4.2
261.07617	1.0
269.04578	3.0
271.06073	8.4
273.03940	1.9
273.07709	2.1
281.04565	2.0
282.01627	0.9
283.02499	1.7
285.04019	3.1
287.05618	17.9
288.05817	1.8
289.07147	14.6
290.07489	1.8
299.05707	2.7
300.02878	1.4
305.06656	39.5
306.06979	2.2
339.08643	1.1
341.06580	1.0
357.05975	0.8
376.25269	0.8
389.06656	1.4
405.06058	1.7
407.07730	20.9
408.08115	3.0
413.08578	4.0
423.07172	5.3
425.08823	7.7
426.08926	0.8
433.09344	2.6
434.97388	0.8
435.07111	1.2
449.08765	2.0
451.10397	8.4
525.08502	1.5
543.09283	2.8
544.10242	0.9
559.12585	9.4
560.12775	1.6
561.10474	1.4
569.11139	1.7
575.12103	2.5
577.13477	8.9
578.14191	1.7
587.12048	1.6
677.13623	1.1
695.13806	4.2
696.15131	1.5
713.14728	1.5
739.16779	1.2
865.19019	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24345	1.5
72.88313	0.7
74.09711	0.8
75.65450	0.7
81.03323	1.1
83.01259	3.8
91.09428	0.8
93.03323	1.6
95.04881	1.3
97.02841	1.9
105.03414	0.8
107.04890	1.1
108.02032	0.9
108.72281	0.8
109.02850	10.9
121.02827	2.0
123.04420	6.4
125.02335	100.0
126.02673	1.9
133.02835	5.0
134.68231	0.9
135.00714	1.0
135.04439	1.7
137.02338	12.6
139.03975	1.1
145.02904	1.0
149.02339	3.4
150.03200	1.0
151.03896	10.8
155.63052	0.9
159.04405	3.4
161.02341	28.7
161.05992	1.4
162.02780	2.1
163.00250	3.7
163.03932	2.8
164.01085	5.1
165.01875	5.8
167.03499	1.5
173.06017	1.0
174.03180	1.0
175.03937	14.4
176.04150	0.9
177.01871	9.2
179.03387	2.8
187.03925	3.6
189.01871	2.8
199.03917	2.5
200.04462	0.8
201.01979	1.0
201.05499	2.1
203.03470	2.4
203.07118	3.7
205.05040	3.0
211.03932	1.1
217.05060	5.8
219.02907	3.4
227.03445	1.7
229.04961	1.1
231.03012	2.0
243.02969	17.6
243.05553	1.3
243.06581	1.7
244.03560	1.2
245.04509	10.5
245.08136	5.2
255.02954	5.3
256.03717	2.5
257.04678	1.7
261.04044	8.0
262.04337	1.3
269.04572	2.3
273.03964	2.0
281.04523	1.5
283.02405	2.3
285.04001	3.0
287.02420	1.7
287.05612	33.5
288.05917	2.3
289.07193	22.4
290.07660	1.3
299.05643	3.7
315.08817	1.1
339.08542	1.5
341.06586	2.0
391.04630	1.3
395.07471	1.6
405.06140	6.3
407.07745	24.8
408.08029	2.0
413.08670	8.2
414.09366	1.5
423.07156	5.1
425.08722	11.1
435.07321	1.5
449.08517	8.0
451.10321	7.7
525.08221	1.9
533.10181	1.1
543.09052	4.0
559.12274	1.7
561.10175	2.9
562.10327	1.1
569.10925	1.9
575.12170	7.6
577.13617	10.7
578.13690	1.6
587.12134	3.8
695.13916	7.7
696.14429	1.0
713.15161	3.8
739.17102	1.6
740.17194	1.2
865.19775	1.6
892.29456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28714	2.2
75.33202	0.8
75.55724	0.7
75.63020	0.8
81.03282	0.8
83.01248	3.9
91.81601	0.9
93.03336	2.0
97.02803	1.3
98.19895	1.1
107.04857	1.2
109.02850	9.1
121.02825	2.3
123.04417	6.3
125.02335	100.0
126.02680	2.9
133.02829	3.6
135.04352	1.7
137.01372	1.5
137.02335	13.4
139.03915	2.2
149.02328	3.8
150.03091	1.2
151.02837	1.1
151.03931	9.2
159.04385	2.3
161.02348	32.5
161.05951	2.0
162.02893	1.7
163.00255	3.0
163.03876	3.3
164.01096	6.8
165.01839	6.3
167.03406	2.2
172.05243	0.8
173.06004	0.8
175.03906	13.1
177.01866	10.2
179.03395	2.0
187.03914	3.1
188.04590	1.2
189.01869	1.8
191.03412	1.9
197.04446	1.1
199.03932	3.4
201.01794	1.4
201.05481	3.1
203.03412	3.0
203.07030	3.6
205.01332	1.5
205.04988	3.6
211.03926	0.8
217.05000	5.8
219.02957	3.4
219.06458	1.5
227.03398	1.7
229.05017	2.1
231.02744	1.1
231.98886	0.9
233.04308	0.9
243.02974	15.5
243.06651	1.7
245.04524	10.0
245.08064	5.0
255.02922	6.4
256.03653	2.0
257.04514	1.5
261.04016	5.6
269.04510	2.8
271.06168	1.1
273.03983	2.4
281.04495	2.6
282.01721	1.3
283.02579	2.2
285.03943	2.9
287.05618	27.7
288.05786	2.3
289.07169	19.6
290.07452	2.0
297.04013	1.5
299.05551	3.2
305.06778	1.8
331.08206	0.9
341.06525	2.0
381.10165	1.6
387.04990	0.8
395.07672	1.0
405.06149	3.9
407.07718	23.6
408.08051	2.7
413.08713	7.1
423.07037	5.4
425.08917	9.9
426.09082	1.3
449.08737	5.4
451.10318	7.1
525.08221	2.2
533.10809	1.4
543.09216	4.3
561.10059	1.9
569.10803	1.6
575.11768	5.2
577.13342	7.9
578.13873	1.5
587.11975	3.3
593.13916	1.2
695.14020	6.6
713.15045	2.5
739.16858	2.2
802.54907	0.9
865.19287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.5
71.29787	0.8
81.03345	1.2
82.92943	0.6
83.01260	3.6
91.01804	0.6
93.03337	1.9
95.04903	1.4
97.02837	2.1
107.04909	1.7
109.02828	11.4
110.03178	0.7
117.03316	0.6
119.04961	1.0
121.02841	2.2
122.03601	1.0
123.04407	7.6
125.02335	100.0
126.02675	3.3
131.04924	1.0
133.02832	5.4
135.04439	2.0
137.02344	13.0
138.02953	0.6
139.03893	1.9
143.04883	0.7
145.02910	0.6
146.03510	0.6
147.04395	1.1
149.02353	4.3
150.03122	0.9
151.03911	10.2
151.05055	0.8
152.14517	0.6
159.04402	3.1
161.02347	34.3
161.05978	1.9
162.02815	2.0
163.00191	2.5
163.03911	4.0
164.01071	6.3
165.01833	5.8
167.03355	1.7
168.84145	0.5
173.05986	1.5
174.03119	0.9
175.03920	13.6
176.00966	0.9
177.01848	10.9
177.05412	1.1
178.02417	0.6
179.03403	2.4
183.04343	0.5
185.06026	1.4
187.03922	4.3
188.04660	1.8
189.01839	2.1
189.05489	1.0
189.22064	0.5
190.02614	0.6
191.03354	1.0
193.05048	1.2
199.03925	3.4
201.01907	1.0
201.05565	2.4
202.06213	0.8
203.03456	3.3
203.05267	0.7
203.07036	4.4
204.04141	0.5
204.07524	0.6
205.01419	1.2
205.04980	3.9
211.03943	1.7
212.04770	0.7
213.05472	1.3
215.03380	1.0
215.07002	0.8
217.01448	0.8
217.05008	7.9
218.05379	0.7
219.02902	3.7
219.06522	0.7
221.08099	0.8
225.05476	0.6
227.03534	1.2
228.04269	0.7
229.04982	1.9
231.02946	1.6
231.06676	0.6
239.43689	0.5
241.05142	0.8
243.02936	17.2
243.06631	1.0
244.03424	1.5
245.04501	10.1
245.08134	5.9
247.05971	0.9
253.05048	1.1
255.02921	7.4
256.03723	2.3
257.04446	1.8
261.04025	6.1
262.04398	0.6
269.04538	2.4
271.06058	0.9
273.04071	1.6
281.04434	1.7
282.01611	1.0
283.02524	2.0
285.04016	2.7
287.05609	29.5
288.02969	0.8
288.05823	2.5
289.07181	22.4
290.07516	2.1
297.04013	0.8
299.05585	3.6
315.08652	0.7
327.05295	1.0
329.06747	0.8
331.08417	0.6
337.68716	0.5
339.08704	2.2
341.06686	1.3
363.05261	1.3
374.04761	0.7
381.10065	0.9
383.07816	0.8
387.05124	0.7
391.04691	1.0
395.07544	0.9
405.06030	4.7
407.07703	22.1
408.08002	2.5
413.08743	6.2
414.09167	1.0
423.07037	4.7
424.07565	1.1
425.08749	10.0
426.08963	1.3
435.07297	1.0
449.08746	5.9
450.08176	0.7
451.10315	8.0
452.10587	0.8
457.09241	0.6
467.09937	0.6
525.08411	1.8
533.11084	1.4
543.09265	4.1
559.12543	1.5
561.10443	1.6
569.11072	1.2
575.11847	6.4
576.11871	0.9
577.13513	8.5
578.13788	1.9
587.11664	3.1
695.13867	5.5
696.14667	0.9
713.15179	3.1
714.93103	0.6
739.16595	2.4
855.44183	0.7
865.19476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98425	4.8
61.98706	64.1
71.01235	5.4
71.53180	5.0
78.95770	5.4
79.70136	4.5
89.02357	7.3
101.02366	4.4
109.06440	5.7
131.07030	10.6
151.06717	3.6
194.74438	3.7
209.11691	5.3
239.35658	3.9
253.09276	9.2
255.23204	7.5
277.21722	62.6
278.22150	6.1
289.18100	100.0
290.18353	9.6
307.19193	3.9
371.40076	4.4
525.26660	6.3
734.48053	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	863.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22749	0.6
66.03944	0.5
67.01762	0.9
68.99692	0.9
71.01249	19.9
72.99187	2.5
73.02811	1.3
73.40557	0.5
75.00737	1.1
76.99628	0.5
82.57167	0.5
83.01267	3.7
85.02819	7.8
85.28918	0.5
85.54462	0.6
87.00739	1.3
89.02313	1.6
93.03329	3.4
94.33012	0.5
95.01229	2.5
99.00761	2.0
101.02332	3.7
113.02335	9.3
115.00256	3.2
121.02847	2.0
122.03627	6.7
123.04430	0.9
125.02322	1.2
133.01315	1.8
133.02846	1.5
135.04466	0.8
136.01556	0.9
137.02351	4.4
139.00291	1.3
149.02353	8.6
150.03127	44.5
151.03476	1.8
161.02336	3.9
161.04480	1.2
164.04723	1.8
165.05479	42.0
166.05830	1.6
175.02379	0.7
179.03442	0.7
180.04172	3.0
185.02411	0.7
187.00259	0.5
195.06560	15.5
196.06897	0.8
203.03476	1.0
215.03435	0.6
223.04472	0.7
227.03409	5.8
233.09856	0.6
243.02908	1.0
268.80164	0.6
270.01697	1.0
271.02463	18.0
272.02725	1.2
282.02029	0.6
284.03418	0.7
285.04022	4.6
299.01959	48.1
300.02435	4.5
313.03491	6.7
314.04303	48.5
315.04694	5.0
319.06729	2.0
327.04880	0.9
328.05826	1.4
329.06647	100.0
330.07019	8.2
337.03705	1.0
337.07761	19.9
338.07996	1.2
371.07861	1.5
395.94440	0.6
474.11499	0.7
505.09958	0.6
525.14020	36.7
526.14246	5.6
533.13171	1.5
556.25586	0.6
567.15027	1.4
582.82971	0.6
605.15515	0.6
667.14844	2.1
729.21161	0.8
818.42896	0.6
863.22345	17.6
864.22681	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	863.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	24.9
71.20119	1.5
71.20464	0.8
72.01579	0.9
72.28503	0.9
72.99184	3.2
73.02811	1.9
75.00754	1.5
83.01244	5.5
85.02816	9.7
87.00742	1.3
89.02328	2.6
93.03344	2.0
95.01255	3.5
97.09132	0.8
99.00745	3.1
101.02303	4.3
109.02885	1.3
113.02329	10.9
115.00263	3.5
121.02834	2.5
122.03600	7.2
123.04408	2.0
125.02328	6.0
133.01315	3.1
135.04379	1.6
137.02318	1.4
139.00247	1.8
149.02354	10.9
150.03122	48.5
151.00287	1.4
151.03685	2.2
161.02364	5.6
161.04451	2.1
164.04655	2.0
165.05482	45.7
166.05803	2.5
167.03407	1.1
175.02415	1.7
177.01840	1.2
179.03313	1.2
180.04166	2.8
195.06541	16.2
203.03418	1.2
217.04865	1.0
227.03424	5.6
243.03014	2.4
270.01593	1.5
271.02481	16.9
285.04031	4.9
286.04233	1.1
287.05646	1.8
297.04095	1.7
299.01953	55.3
300.02457	5.8
311.05518	1.4
313.03564	8.2
314.04303	60.1
315.04749	5.6
319.06580	1.7
327.04959	1.6
328.05820	2.6
329.06644	100.0
330.06985	9.3
337.07733	21.2
338.08084	1.6
341.06808	1.1
371.07742	1.6
477.11896	4.7
525.14008	62.1
526.14435	8.5
567.14917	1.6
605.14935	1.6
667.15491	1.6
729.19891	1.4
730.20203	1.1
863.22449	28.1
864.22852	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	861.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99160	0.3
61.98696	1.6
65.00180	0.3
67.95078	0.3
69.37526	2.5
71.01260	1.4
72.17892	0.4
73.02821	1.0
83.01271	0.6
85.02840	0.6
87.00777	0.7
88.98660	1.7
89.02300	0.7
97.02853	0.4
98.19689	0.4
101.02325	1.0
113.02349	0.7
117.03304	0.6
119.04915	1.1
121.02905	0.4
125.02310	1.0
129.01837	0.4
132.02060	32.1
133.02924	2.3
134.03622	11.6
134.04648	0.6
135.04080	0.4
137.02328	0.8
139.03995	0.4
145.02841	0.6
149.05989	1.9
160.01561	100.0
161.02173	6.0
163.03860	0.6
165.05336	0.4
171.10156	0.5
175.03914	96.2
176.04248	4.6
177.05412	0.5
178.02641	1.3
179.03377	0.6
193.04976	9.1
194.05269	0.5
203.27919	0.4
209.11794	0.6
247.06114	0.7
265.07193	0.5
267.27448	0.3
312.40857	0.3
319.08145	0.8
325.61108	0.4
361.09100	0.9
379.10242	0.7
395.85260	0.4
427.23459	0.4
467.20801	0.4
489.38489	0.3
555.14819	0.8
565.15881	0.4
583.16394	1.0
601.17999	1.0
625.18121	2.2
643.18939	2.5
667.18738	1.1
685.19989	1.4
759.21368	1.6
777.22986	0.8
801.22467	4.7
802.22986	1.0
819.23248	3.9
820.23108	0.7
861.24530	12.1
862.24597	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	861.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	0.4
62.48550	0.2
70.88358	0.2
71.01260	1.0
71.39054	0.3
73.02819	0.6
83.01268	0.4
85.02814	0.4
87.00766	0.3
93.45092	0.2
97.02825	0.4
101.02321	0.5
104.02569	0.4
113.02363	0.5
117.03358	0.8
125.02343	0.5
125.77864	0.2
132.02065	34.9
133.01532	0.3
133.02782	2.1
134.03632	11.8
135.04100	0.5
137.02299	0.6
149.06003	2.0
155.75835	0.2
160.01567	100.0
161.02150	6.2
175.03920	90.6
175.07010	0.5
176.04256	4.6
178.02570	1.3
179.03391	0.8
193.04985	10.6
194.05345	0.5
207.06647	0.3
235.06114	0.3
247.02635	0.2
247.06070	0.8
265.07172	0.7
319.08228	1.0
337.09436	0.3
361.09174	1.6
482.72067	0.3
555.15088	0.8
565.15283	0.4
583.16626	0.7
584.16925	0.3
601.17572	1.3
607.17267	0.3
625.17615	2.1
643.18933	2.1
667.18915	1.5
685.20081	2.1
686.18213	0.3
759.21606	1.6
777.22278	1.0
801.22559	5.2
802.22644	1.0
819.23425	4.9
820.23712	1.2
861.24493	13.9
862.25201	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	852.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
68.36045	0.2
69.94020	0.7
87.27123	0.2
92.65846	0.2
139.00700	0.2
283.35742	0.2
532.32715	0.2
854.65173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
68.51305	0.4
71.01257	4.2
73.21884	0.4
79.12199	0.4
83.01247	0.7
85.02830	1.8
86.46909	0.4
87.00735	0.5
89.02335	2.0
89.03850	0.5
95.01263	0.5
100.90929	0.4
101.02319	2.7
105.03354	1.3
113.02319	1.5
117.03365	4.0
119.03390	0.9
119.04942	1.0
123.04405	0.5
125.02372	2.2
132.02078	2.4
133.02850	45.1
134.03540	1.7
135.04416	16.0
137.02299	0.9
145.02849	4.5
146.03236	0.4
149.05963	0.6
160.01561	0.5
161.02353	100.0
162.02699	4.4
163.03914	0.8
165.01865	0.5
175.04050	0.5
177.05403	1.0
179.03397	8.1
195.57784	0.5
203.03372	0.7
221.04478	1.0
233.04771	0.5
287.05774	0.4
289.07196	0.6
293.54678	0.5
422.61520	0.4
447.09692	0.5
677.28162	0.7
679.31525	0.5
695.29315	1.3
711.50140	0.4
857.34448	52.4
858.34851	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	849.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.8
61.98696	2.8
71.01251	15.3
71.52935	1.6
72.99179	2.0
73.02823	2.8
73.39542	1.4
78.95776	1.8
81.03307	1.9
83.01260	1.7
85.02829	4.2
87.00735	2.9
89.02317	10.1
97.02823	1.9
97.06467	5.2
100.51031	1.3
101.02335	10.1
113.02360	2.5
115.52975	1.4
119.03392	1.7
125.02375	2.6
151.11200	12.1
169.12263	40.8
170.12584	1.9
185.11690	1.7
213.11270	6.3
216.83543	1.5
234.73602	1.6
235.08310	2.0
255.23259	47.6
256.23639	4.7
277.21814	2.9
332.07303	1.5
397.13409	3.0
611.25787	1.5
675.37549	2.0
849.48590	100.0
850.48956	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	849.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83749	0.7
65.00203	0.7
67.01768	0.9
68.99698	0.6
69.03310	0.8
70.82085	1.5
71.01225	0.5
77.13615	0.5
78.22250	0.7
81.03323	2.1
83.01250	6.4
85.02835	0.6
93.03336	4.5
95.01252	2.0
95.04886	3.1
97.02831	5.6
105.03342	0.7
107.04913	1.5
108.02037	1.1
109.02831	20.3
113.41235	0.5
117.03339	0.9
119.04920	1.0
120.02040	2.6
121.02835	4.3
122.03626	1.3
123.03527	1.1
123.04411	14.2
124.01566	0.8
124.04805	0.6
125.02334	100.0
126.02670	3.5
131.04909	1.0
133.02853	7.5
134.03612	0.9
135.00833	0.7
135.04393	2.7
136.01518	0.6
137.02345	26.0
138.02660	0.6
139.03894	3.8
143.04910	0.8
145.02837	1.1
146.03586	1.2
147.04425	1.1
149.02351	6.4
149.06042	0.6
150.03105	1.0
151.03897	10.8
157.06480	0.8
159.04393	3.7
160.05174	0.9
161.02353	22.7
161.05942	3.9
162.03020	2.5
163.00279	8.9
163.03947	4.2
164.01057	48.8
165.01833	13.2
166.02391	0.9
167.03375	1.0
171.04475	0.9
173.02357	2.3
173.06021	1.3
174.03088	1.4
175.03925	10.9
175.07562	1.2
176.01108	3.1
177.01852	11.4
177.05539	0.9
178.02403	0.7
179.03426	3.6
183.04382	0.6
185.06001	2.3
187.03947	7.8
188.04750	3.3
189.01848	1.9
189.05478	1.3
190.02635	1.9
191.03392	1.6
193.05092	0.9
199.03963	1.8
199.07579	1.3
200.04575	0.8
201.01892	1.0
201.05522	2.3
202.06227	1.3
202.99754	0.9
203.03398	2.1
203.07074	10.9
204.07330	0.8
205.01381	3.7
205.04997	7.1
209.06154	0.7
211.03906	2.0
212.04724	0.9
213.05484	0.9
214.02733	3.2
215.03433	2.3
217.01434	1.2
217.05016	3.4
219.02914	2.4
221.08209	1.9
225.05537	0.8
227.03500	1.8
227.07047	3.1
228.04219	1.7
229.04988	6.0
229.08736	0.7
230.05656	1.0
231.02959	1.8
241.05092	0.7
242.02029	0.8
243.02940	5.9
243.06471	1.6
245.04497	4.0
245.08153	11.0
246.08612	1.0
247.06000	1.1
253.05084	1.7
255.02982	5.6
255.06520	0.9
256.03723	3.8
257.04544	1.9
259.06039	0.7
261.04025	2.5
267.02841	0.9
267.06702	0.9
269.04590	2.6
270.05063	0.9
271.06116	24.8
272.06467	1.7
273.04169	1.3
273.07690	4.8
281.04581	1.7
282.01715	2.1
283.02512	1.1
283.06067	1.5
284.03278	0.8
285.04111	3.8
285.07153	0.9
287.05640	11.4
288.05991	1.4
289.07184	54.5
290.07446	4.1
295.06046	0.7
297.04251	1.0
297.07562	1.1
299.05551	1.5
300.02792	2.0
311.05569	1.0
321.07642	1.4
327.05017	5.9
328.05777	1.0
329.06644	1.4
339.08789	1.4
341.06824	0.9
345.07697	0.9
357.06186	1.5
363.08765	2.1
381.09964	1.2
389.06656	4.0
391.07889	0.8
407.07730	27.1
408.08020	3.7
409.09341	0.8
413.08704	2.6
425.08591	3.6
433.09247	11.1
434.09747	1.4
435.10895	5.9
436.07358	1.1
447.09503	4.1
448.09790	0.8
449.08762	0.9
452.07721	1.1
517.11487	1.0
525.12604	0.8
543.12842	1.7
545.10388	0.8
559.12427	17.9
560.12872	2.9
561.13965	9.3
562.14685	1.2
577.12775	0.7
679.14441	2.8
680.15491	0.9
697.15411	1.1
723.17657	1.4
849.20880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16664	0.4
65.00208	0.4
69.03329	0.9
69.47919	2.2
81.03342	1.2
83.01253	3.8
89.03827	0.8
93.03326	2.1
93.88435	0.4
95.01270	0.6
95.04894	1.7
97.02832	2.2
99.74902	0.4
105.03352	0.6
107.04911	1.4
108.02054	0.8
108.30369	0.3
109.02837	12.0
110.03181	0.5
117.03381	0.9
119.04891	0.4
120.02037	0.7
121.02851	2.9
122.03635	0.5
123.04406	8.5
124.04709	0.4
125.02335	100.0
126.02665	3.5
131.04948	0.6
133.02832	4.8
135.04398	2.3
137.02342	14.5
138.02884	0.5
139.03941	1.8
143.04883	0.5
145.02800	1.0
146.03644	0.5
147.04401	0.7
149.02351	3.2
150.03067	0.8
151.03909	7.7
157.06540	0.4
158.03691	0.5
159.04398	2.5
160.05309	0.6
161.02345	22.0
161.05981	1.8
162.03009	1.8
163.00238	2.7
163.03937	3.9
164.01060	11.9
165.01837	5.1
166.02295	0.5
167.03473	1.2
173.02443	0.4
173.05980	1.0
174.03134	0.9
175.03917	7.1
175.07559	0.9
176.01077	1.1
176.04259	0.5
177.01857	6.7
177.05513	1.1
178.02466	0.5
179.03462	2.2
183.04431	0.5
185.05936	0.9
187.03934	4.6
188.04706	1.5
189.01871	1.6
189.05470	0.8
190.02577	0.6
191.03387	0.5
193.01190	0.5
193.05063	0.4
197.06053	0.4
199.03978	1.1
199.07553	0.4
200.04538	0.4
201.01886	0.4
201.05498	1.9
202.06314	0.7
203.03510	1.8
203.07083	4.9
204.07346	0.4
205.01376	1.8
205.05013	4.1
206.01927	0.4
211.03984	1.1
211.74765	0.4
212.04753	0.5
213.05484	1.1
214.02754	0.6
215.03471	0.7
217.01349	0.5
217.04988	2.9
217.78087	0.3
219.02965	1.7
219.06494	0.8
221.08203	0.9
227.03500	1.6
227.07115	1.4
228.04263	1.1
229.05067	3.1
230.05725	0.5
231.02950	1.4
241.05003	0.9
243.02972	3.9
243.06622	1.1
244.03539	0.5
245.04543	6.8
245.08147	6.1
246.04926	0.4
253.05069	1.1
255.02989	5.5
256.03729	2.8
257.04529	1.1
259.06262	0.5
261.04001	0.9
269.04538	1.8
271.06168	6.1
272.06360	0.6
273.04099	1.8
273.07239	0.4
281.04660	1.9
283.02521	1.2
285.04007	2.0
287.05603	22.1
288.03064	0.5
288.06015	1.3
289.07178	27.0
290.07474	2.2
297.04184	0.8
297.07639	0.8
299.05502	3.4
301.07263	0.5
305.06705	1.0
315.08685	1.1
327.05048	0.6
329.06522	0.9
331.08356	0.8
339.08517	1.9
341.06781	1.6
343.04611	1.2
363.08841	0.6
379.08374	0.6
381.09921	1.6
383.07913	0.6
391.08328	0.5
397.09305	7.1
398.09558	0.7
405.06058	0.9
407.07693	21.6
408.08173	2.4
409.09305	0.5
413.08505	0.5
423.07184	1.0
425.08795	14.0
425.14587	0.7
426.09042	1.3
433.09012	3.1
436.07755	0.6
449.08997	0.4
451.10391	8.6
452.10733	1.1
463.08972	1.0
467.09830	0.7
493.11368	0.7
517.11444	1.4
541.11652	0.5
545.11365	0.7
553.11035	0.5
559.12463	8.4
560.12946	1.3
561.14056	0.6
571.12634	0.8
577.13470	11.6
578.13965	1.7
679.15564	1.1
697.15564	2.3
698.16400	0.6
723.17218	0.9
760.03473	0.4
849.20764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
61.98702	100.0
70.58735	0.2
70.73103	0.3
71.01250	0.4
75.00740	0.2
78.95776	0.3
80.96389	0.3
88.98692	0.9
91.90198	0.2
93.04446	0.2
104.40535	0.2
117.03307	0.4
119.04900	1.2
119.25509	0.2
120.34562	0.2
145.02876	0.3
158.24510	0.2
163.03926	0.6
180.43033	0.2
209.11823	0.4
211.13408	0.3
269.18286	0.2
294.69925	0.2
735.92749	0.2
786.41217	0.3
788.40643	0.4
849.39874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.7
60.27655	0.5
61.98704	2.8
65.00545	0.5
67.20844	0.5
69.03323	1.3
71.01254	12.8
72.99198	0.8
73.02824	2.2
75.00746	0.8
78.95777	0.8
81.03361	0.7
81.56286	0.5
83.01266	1.1
83.04893	1.1
85.02815	3.2
87.00741	3.5
88.98644	0.6
89.02312	9.3
95.01265	1.3
95.04890	1.7
97.02837	2.2
97.06464	13.2
101.02316	8.8
101.02927	0.9
113.02319	4.0
119.03385	1.7
123.08051	7.2
125.02327	1.8
125.09612	87.2
126.09945	4.1
126.78143	0.7
140.27380	0.5
143.10646	1.1
152.99503	0.7
161.04460	1.2
169.08618	2.3
179.05540	1.9
187.09679	67.5
188.09972	2.6
209.11867	1.2
211.09663	1.5
221.06598	4.0
235.08250	0.8
253.09300	0.5
260.04034	0.5
261.13312	0.6
277.21719	9.7
277.24530	1.0
278.22107	0.8
397.13440	1.9
415.14685	0.9
443.25418	0.6
457.98578	0.5
511.02084	0.5
567.23053	2.9
585.24078	6.1
586.24921	0.7
665.38446	1.0
845.45355	100.0
846.45624	25.0
877.31244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.8
59.97537	0.4
61.98705	2.0
65.02817	0.4
69.03333	1.7
71.01252	14.1
71.04876	0.5
72.16216	0.4
72.99185	1.8
73.02811	2.2
77.69270	0.4
78.95782	0.8
80.02546	0.7
81.03327	0.7
83.01271	1.6
83.04887	0.6
85.02814	2.9
87.00742	3.6
88.98686	0.5
89.02310	9.6
95.01245	0.8
95.04908	1.5
97.02840	1.9
97.06464	12.8
98.06838	0.5
99.00761	1.0
101.02320	8.7
111.00706	0.5
111.04420	0.6
113.02347	3.7
113.60196	0.5
118.16084	0.4
119.03386	2.7
123.08048	7.3
125.02340	3.0
125.09611	67.3
126.09955	2.8
143.03398	0.9
143.10661	0.7
161.04471	1.5
169.08623	1.5
179.05492	0.8
187.09679	35.2
188.10040	1.3
209.11821	0.7
221.06577	1.5
229.62941	0.5
235.08205	1.4
240.30576	0.4
255.23300	0.5
277.21719	28.6
278.22107	2.9
288.25858	0.5
397.13416	5.2
415.14594	1.3
567.22742	2.5
585.23810	2.7
665.39221	0.9
821.83759	0.5
827.42664	0.5
842.27155	0.5
845.45337	100.0
846.45642	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	29.1
60.99162	2.7
61.98710	8.9
67.84238	1.8
71.01257	29.2
72.99186	1.7
73.02815	2.6
81.11730	1.3
83.01267	4.1
83.04874	1.9
85.02829	7.0
87.00761	7.8
87.01214	1.4
88.98672	13.9
89.02305	19.9
93.03331	1.5
97.02846	2.7
98.20602	2.2
99.00769	1.7
101.02333	14.4
109.02901	1.7
111.00819	1.4
111.08036	2.4
113.02333	6.1
116.92760	2.9
119.03377	3.9
119.04900	2.9
125.02317	5.7
145.02831	2.0
161.04446	2.1
163.03946	2.5
168.27240	1.4
171.10170	6.4
179.05505	5.0
209.11746	2.7
211.13297	3.4
213.15036	1.4
221.06595	4.4
235.08156	2.8
241.17992	1.8
278.17612	1.5
278.20685	1.4
279.07129	1.8
293.21246	4.2
315.26886	2.5
325.25345	6.1
341.25012	1.9
343.26413	4.5
351.23508	1.8
359.25668	4.2
361.27545	3.7
369.24301	6.8
387.25397	13.1
388.26004	2.1
397.13336	8.9
402.45544	1.6
405.26416	28.9
406.26587	2.1
558.53925	1.7
785.39655	100.0
786.39984	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49979	0.8
61.98697	1.9
71.01266	1.2
75.79893	0.7
78.28641	0.9
78.95763	1.3
96.95872	1.6
99.89764	0.8
109.02859	0.8
120.15894	1.0
125.02312	0.9
133.02832	8.6
135.04408	0.9
144.01317	0.9
161.02350	1.6
163.03860	0.9
170.47916	1.0
175.02406	0.9
175.03914	2.3
177.01758	1.0
188.04750	1.0
190.02470	0.9
191.05453	0.8
209.11743	1.4
216.90976	0.8
229.08751	1.3
231.06473	1.0
256.78598	0.9
274.38303	1.0
277.17029	1.0
285.03735	1.3
297.04007	3.5
298.04834	4.3
299.66898	0.9
309.03964	6.7
310.04559	1.0
311.05627	3.2
312.06387	2.0
323.05640	8.1
324.05991	1.6
339.05130	2.1
353.10123	4.1
365.10220	13.0
366.10831	0.9
367.11804	6.1
377.10474	1.0
379.11896	1.1
389.50235	1.0
393.09085	1.2
393.25363	0.9
395.11316	100.0
396.11530	11.4
400.51025	0.9
407.11188	2.1
425.12451	21.0
426.12723	1.8
437.12320	1.4
448.55539	1.0
464.97821	1.0
515.15564	83.1
516.15942	12.5
666.81152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	26.9
60.99165	6.2
61.98716	11.9
64.33987	1.9
69.03328	2.3
70.58225	5.5
71.01248	24.9
72.99181	5.5
73.02819	3.3
75.00716	2.2
83.01298	2.7
85.02828	6.5
87.00726	8.9
88.98682	37.0
89.02327	19.7
94.90701	1.8
97.02819	3.7
101.02323	16.1
105.01881	1.7
109.06470	2.2
113.02343	6.9
119.03371	2.6
119.04923	4.2
125.02323	7.0
140.50204	1.9
143.03409	2.8
163.03922	4.2
167.87172	1.7
171.10199	23.0
172.47945	1.9
174.55803	1.8
179.05609	4.5
190.13324	1.9
209.11746	3.6
211.13309	4.4
221.06552	2.3
235.08173	1.9
235.16832	2.1
241.18019	2.7
252.69189	2.1
253.09262	1.8
275.16721	2.2
275.20190	4.6
293.21240	19.1
300.35382	1.9
304.09521	1.8
315.27042	2.2
325.25330	7.3
341.25000	2.3
343.26376	4.8
359.25958	4.1
369.24240	6.5
387.25485	12.4
397.13547	15.7
405.26349	23.2
408.59537	2.4
415.14362	2.8
480.93967	2.0
785.39624	100.0
786.40100	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20445	0.6
69.88957	2.7
74.68723	0.6
92.36905	0.6
93.03327	0.8
98.20456	1.1
105.03299	0.6
109.02834	2.2
119.04922	0.9
121.02805	1.3
123.04392	0.6
125.02325	1.3
125.77835	0.6
126.52847	0.6
133.02837	11.9
135.04396	1.1
147.04411	1.3
149.02321	1.2
151.03905	0.8
161.02322	1.4
163.00258	2.0
163.03906	3.1
164.01091	0.8
165.01813	2.2
175.03922	3.8
177.01840	0.9
191.03407	2.6
193.01355	1.7
199.03986	0.8
201.01906	0.7
213.05450	0.8
225.05669	0.7
227.03270	1.0
240.04222	0.9
253.04921	0.9
255.03018	1.0
255.06647	1.0
256.03598	0.9
269.04630	1.6
284.03296	10.1
285.04037	7.7
297.04028	14.3
298.04745	11.3
299.05560	18.7
300.06015	0.8
311.05478	3.5
324.02609	1.0
325.03351	1.2
327.05072	100.0
328.05429	9.6
339.05032	2.8
341.06622	1.0
357.06143	26.0
358.06430	2.9
369.06207	2.1
393.06122	1.7
411.06870	0.7
447.09296	100.0
448.09705	10.7
575.51556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.4
59.77283	0.4
61.98704	3.8
69.03342	0.6
69.78176	2.3
70.97879	0.4
71.01256	2.3
85.02829	1.2
87.00746	0.5
89.02304	1.4
93.03330	1.1
101.02305	1.3
104.02592	0.4
109.83772	0.5
113.02309	1.3
117.03349	28.2
118.03699	1.3
119.04905	7.8
120.05220	0.5
121.02869	0.7
125.02325	1.3
132.02068	31.0
133.02283	0.9
133.02780	1.4
134.03630	12.4
135.04327	1.6
137.02330	0.7
145.02855	85.9
146.03171	3.1
147.04411	0.9
149.05946	2.3
151.00282	0.5
160.01570	98.2
161.02255	8.6
162.02818	0.4
163.03912	4.9
165.01935	0.5
171.10199	0.8
173.06009	0.7
175.03922	100.0
176.04266	5.4
177.05470	1.0
178.02644	2.0
179.03400	1.6
180.86852	0.4
193.04984	10.4
195.06543	0.6
209.02863	0.8
209.11803	2.7
210.12131	1.0
211.13260	0.6
217.05060	2.4
227.12926	0.5
247.06198	0.6
265.07187	1.1
307.08051	0.6
355.10513	0.5
397.13770	0.7
415.89935	0.5
483.12897	2.9
484.13226	0.9
499.14709	2.1
517.15509	3.7
645.18097	6.0
646.18481	0.6
663.19299	25.1
664.19452	4.6
675.19647	0.8
693.20496	3.8
694.20917	1.1
839.24084	16.9
840.24835	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	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.2
61.98700	5.5
69.03323	0.9
71.01246	4.2
71.53622	0.9
73.02812	2.4
78.95753	1.0
83.04862	0.8
85.02802	1.5
87.00760	1.0
89.02316	3.2
94.92381	0.8
94.97964	1.2
96.95881	1.8
101.02336	4.4
109.06484	1.2
111.08032	11.7
112.93591	1.9
113.02294	2.6
115.00247	1.4
119.03359	1.3
121.06457	0.9
127.07549	1.5
138.64131	0.9
149.82117	0.7
151.11218	1.4
153.09122	0.9
153.12740	1.0
161.04477	2.8
169.12251	5.8
171.10165	1.5
183.13797	1.0
188.33191	0.8
197.11758	69.0
198.12105	4.8
199.13324	3.0
201.11215	1.0
209.11711	2.1
211.13315	8.6
227.12798	1.4
235.08180	3.0
247.20505	1.1
253.09242	24.3
254.09619	2.2
263.20007	3.8
265.18073	1.5
273.18399	2.1
277.21603	1.5
291.19653	23.8
292.19965	2.1
297.57547	0.8
309.20691	100.0
310.20944	9.4
482.05634	0.8
545.29633	2.2
601.40997	1.4
696.91650	0.9
754.37756	0.8
837.37537	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	839.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	6.7
60.09973	1.3
61.98698	18.7
63.41629	1.4
69.77674	1.4
71.01245	6.5
83.01272	2.2
85.02836	3.1
89.02309	2.1
96.95897	2.9
97.02847	1.6
97.13051	1.5
101.02305	3.6
112.30745	1.6
113.03459	2.2
115.00253	2.2
117.03337	28.3
119.04939	11.4
119.28471	1.5
121.02849	2.7
125.02341	5.2
131.04504	5.6
132.02060	31.5
133.02902	2.1
134.03619	13.0
135.04279	1.8
137.02332	2.6
143.04794	1.7
145.02850	78.8
146.03166	4.2
149.05960	3.0
159.70627	1.5
160.01567	94.1
161.02260	9.0
162.02824	1.4
163.03889	6.3
167.02051	2.0
175.03918	100.0
176.04247	5.9
178.02612	2.0
179.03351	2.1
193.04970	12.4
209.11755	11.0
210.12022	3.0
217.04988	2.6
223.05954	1.7
227.12779	2.3
233.04684	1.5
265.07037	1.7
334.54340	1.4
483.13013	3.8
517.15607	3.4
645.18311	5.3
663.19110	24.8
664.19684	3.9
693.20258	4.7
839.24133	14.8
840.24225	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	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.1
59.92831	0.7
61.98706	6.3
69.03316	0.8
69.35249	1.4
69.35651	5.3
69.65665	0.9
71.01251	5.7
73.02802	1.3
73.05615	0.8
78.95767	1.4
79.84523	0.7
82.25674	0.8
83.04884	1.0
85.02862	1.5
87.00742	1.1
89.02303	4.1
96.95893	2.6
101.02305	5.4
111.08028	15.5
113.02304	2.4
115.00245	1.0
133.31871	0.8
140.88388	0.8
151.11220	1.0
152.99571	1.0
153.12746	1.6
161.04434	2.4
169.12204	6.6
171.10150	1.9
179.10684	1.0
181.12251	1.9
183.13786	1.0
197.11760	88.5
198.12103	3.0
199.13434	4.7
209.11789	0.9
211.13336	13.1
223.13312	1.2
227.12788	1.2
235.08151	2.7
247.20503	1.4
253.09262	22.1
254.09750	0.9
263.20142	5.2
265.18109	2.3
273.18542	2.3
277.21588	1.5
278.22101	1.1
291.19650	26.3
292.19983	2.0
307.50208	0.9
309.20694	100.0
310.21002	7.9
314.56180	1.1
372.24484	0.9
433.20734	0.9
545.29419	2.5
601.41125	1.9
633.39886	0.9
837.47583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.4
58.99470	0.2
59.01250	8.7
60.01582	0.2
61.98703	0.4
69.03340	0.5
71.01250	8.9
72.01590	0.2
72.99177	0.9
73.02795	1.0
74.98976	0.3
79.95594	0.7
80.02533	1.5
80.96379	0.2
81.03330	1.8
83.01262	1.0
83.04900	5.5
84.01601	0.2
84.02043	1.3
84.05217	0.2
85.02827	1.9
87.00746	2.0
87.04374	0.2
89.02318	8.0
93.03325	0.4
95.01249	0.5
95.04913	1.0
96.95872	0.6
97.02840	1.3
97.06441	0.2
99.00751	0.4
101.02320	6.6
107.04972	0.3
109.06448	0.4
112.93575	0.2
113.02326	3.9
119.03384	1.6
119.04848	0.2
125.02346	2.8
125.05951	0.8
131.03381	0.2
133.04953	0.2
135.08073	0.6
137.09616	0.2
138.95186	1.3
141.01898	0.2
143.03410	1.1
145.04933	0.2
147.11778	0.2
149.04518	0.3
149.41110	0.2
161.04457	1.5
163.11206	4.0
165.12747	2.5
167.03271	0.2
171.10237	1.0
175.04019	0.2
179.05544	2.3
181.12250	0.5
191.10706	1.0
195.39276	0.2
199.13332	0.6
207.10118	0.2
209.11768	100.0
210.12112	6.2
211.13350	0.4
217.07127	0.3
221.06673	0.9
221.11618	0.2
223.13266	0.2
225.11206	0.2
227.12839	16.8
228.13155	1.0
235.08203	2.4
247.13443	0.7
251.12856	0.5
252.13083	0.2
253.09251	0.6
263.07730	0.3
265.14355	0.2
287.07712	0.6
299.01984	0.2
305.08731	0.9
319.10773	0.2
323.10077	0.4
379.12402	2.5
380.12595	0.2
397.13489	19.3
398.13712	1.9
415.14569	5.7
416.14960	0.5
589.25012	0.4
590.24786	0.2
607.25940	1.0
773.35498	0.2
799.37427	0.8
817.39185	0.4
835.40344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98393	0.2
68.59088	0.2
92.73640	0.1
97.34846	0.1
113.91568	0.1
199.30858	0.1
226.26292	0.1
331.19742	0.2
414.32077	0.2
506.60190	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	833.5183
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.62592	2.0
60.37152	1.9
75.88961	2.2
78.95775	40.3
91.32140	1.8
96.96818	8.5
114.23974	2.2
136.91942	1.8
152.99498	10.6
222.79012	1.9
223.00124	4.3
241.01132	22.0
255.23285	38.5
256.23535	4.7
259.02344	2.3
277.21658	6.6
279.23206	19.2
280.23541	2.9
391.22437	6.8
396.20087	2.6
426.33649	2.2
553.27863	3.9
833.51709	100.0
834.51953	28.7
835.50769	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	833.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.4
61.89185	0.3
65.00204	0.3
66.18961	0.3
69.39891	1.5
71.01248	0.5
72.35430	0.2
77.03819	0.4
79.01778	0.4
83.01263	0.3
85.02819	0.7
93.03328	0.3
95.71885	0.2
96.17610	0.2
97.02863	0.3
98.19798	0.4
102.19893	0.3
107.01275	0.5
107.11937	0.3
108.56048	0.2
109.02834	1.2
113.02272	0.5
119.04919	0.8
121.02820	0.9
123.00788	0.3
123.04403	0.3
125.02336	0.9
133.02840	9.2
134.03438	0.3
135.04414	1.1
137.02353	0.9
145.02832	0.4
147.04410	0.9
149.02336	1.1
151.00171	0.3
151.03925	0.5
161.02341	0.8
163.00308	1.3
163.03918	2.0
164.01044	0.9
165.01845	1.3
171.04417	0.3
173.02356	0.3
175.03905	2.3
177.01939	0.5
179.03348	0.3
191.03406	1.2
193.01416	1.3
198.03159	0.2
199.03960	1.1
199.07538	0.4
201.01907	0.5
205.01283	0.3
208.65747	0.2
211.04060	0.4
212.04652	0.3
213.05486	1.1
225.05482	0.8
226.02646	0.3
227.07130	0.4
229.04962	0.5
231.06694	0.4
240.04227	0.5
241.05043	0.8
243.02699	0.3
243.06485	0.5
249.06061	0.6
253.05023	0.8
254.05766	0.3
255.03024	0.6
255.06517	0.5
257.04361	0.4
264.23880	0.3
267.07257	1.7
269.04529	0.5
271.06067	1.3
281.04672	0.4
284.03271	6.9
285.04025	5.8
286.04523	0.5
289.07220	0.8
297.04031	12.3
298.04742	7.1
299.05579	13.7
300.05905	1.0
309.03961	0.8
311.05551	2.0
315.94162	0.3
325.03424	0.6
327.05087	89.4
328.05411	7.7
339.05075	2.8
341.06647	0.7
357.06140	23.9
358.06363	2.6
365.06396	0.4
369.06168	2.8
370.05893	0.4
385.11435	2.4
393.06134	1.2
399.07516	0.4
411.07309	0.6
447.09296	100.0
448.09650	10.9
448.16031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.5
61.98691	1.1
62.96268	0.8
70.75388	0.7
71.01260	1.0
78.95773	92.5
79.95606	1.1
80.96382	2.4
89.78104	0.3
92.92673	1.8
93.65853	0.3
94.97961	1.0
96.96835	21.1
106.10258	0.4
106.98000	0.3
107.24451	0.3
111.72150	0.3
116.97136	1.1
118.69843	0.3
122.97456	0.5
125.02279	0.5
134.98425	0.9
141.01563	0.8
141.08983	0.3
149.56375	0.3
152.99492	22.8
153.99759	0.4
164.98524	0.6
167.96365	0.3
171.00517	0.6
223.00072	9.2
224.00330	0.4
225.00723	0.8
225.06900	0.3
232.25340	0.3
241.01143	40.5
242.01491	1.4
255.23260	66.7
256.23608	5.9
256.93411	0.5
259.02222	2.6
259.20477	0.5
275.20166	0.6
277.21710	41.4
278.22046	3.6
297.03864	2.1
315.04861	1.2
355.28021	0.4
369.71213	0.3
391.22501	9.4
392.22830	1.2
409.23462	0.8
413.20975	1.4
420.94019	0.4
434.48416	0.3
455.31561	0.4
553.27832	8.8
554.27863	1.1
571.28790	1.0
575.26282	1.5
710.32965	0.3
831.50250	100.0
832.50562	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	833.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	1.7
69.03342	1.8
71.12521	1.3
71.12853	1.5
81.03299	3.7
83.01246	7.0
85.02815	1.8
85.68159	1.5
93.03322	4.8
95.01269	3.5
95.04899	2.2
97.02822	8.1
100.78612	1.2
102.95779	1.3
107.04929	1.2
108.02042	2.5
109.02835	21.0
119.04954	2.1
120.02025	4.4
121.02860	6.3
122.03598	1.5
123.04424	18.0
125.02338	67.4
126.02635	2.1
129.07648	1.5
133.02893	8.1
135.04390	2.6
137.02341	37.5
139.03902	3.7
143.04907	1.4
145.02815	1.4
146.03654	3.1
147.04425	2.0
149.02342	4.8
150.03119	2.0
151.03934	8.4
154.64911	1.1
159.04404	3.8
160.05135	1.6
161.02354	4.1
161.06000	7.3
162.03059	2.0
163.00305	5.6
163.03935	2.6
164.01064	86.8
165.01866	17.5
167.03421	2.6
175.03923	5.0
176.00992	2.8
177.01796	8.0
179.03398	4.5
185.06001	5.3
187.03934	6.8
188.04703	2.5
199.07506	2.4
202.06137	2.7
203.03481	1.7
203.07040	13.9
205.01381	3.0
205.04994	7.2
217.04961	1.8
217.84267	1.5
221.08185	1.7
227.03467	1.8
227.07047	3.5
229.05013	5.5
231.02928	1.3
243.02963	2.4
243.06424	1.5
245.08208	13.4
246.08705	1.2
247.06097	1.8
253.05019	2.4
255.02977	2.7
256.03671	2.1
271.06107	71.9
272.06412	5.6
273.07651	7.4
285.03989	4.1
289.07172	100.0
290.07410	8.3
300.02606	2.8
310.05154	1.4
311.05560	1.6
315.05161	1.9
328.05554	1.6
329.06390	3.5
363.08804	1.8
374.04150	1.6
381.09833	1.8
392.08554	1.4
393.28613	1.6
397.09149	4.1
407.07678	13.3
408.07910	2.0
417.09549	4.2
425.08832	2.2
435.10922	11.3
436.07849	5.3
461.07104	1.8
477.11761	1.8
525.11475	2.0
543.12939	33.6
544.13135	5.0
561.14197	15.2
562.14447	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	829.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.7
59.89402	0.8
61.98711	1.8
65.40934	0.8
69.03322	2.9
69.25277	7.7
71.01250	1.1
75.00760	0.8
81.89137	0.7
85.02823	1.8
87.00744	0.8
88.98677	2.3
89.84412	0.8
96.95911	1.6
97.02856	1.8
99.00752	1.3
121.02839	8.2
123.04449	0.9
125.02306	2.0
132.02043	1.4
133.02876	0.9
134.03677	1.8
135.04414	1.1
136.01598	1.3
137.02344	1.6
147.04407	1.1
147.27284	0.8
149.02342	35.3
150.03123	5.0
151.00285	3.7
151.03946	1.2
160.01556	2.5
161.02335	1.3
163.03900	1.4
164.04706	20.3
165.05467	4.4
166.02638	5.8
175.00317	2.7
175.03976	2.0
176.01025	0.9
179.07065	2.8
180.04213	0.8
181.04982	7.8
185.00812	3.2
190.02625	7.8
193.04974	1.2
195.06541	1.9
198.03079	1.2
202.02672	1.2
203.01743	0.9
205.04999	7.3
206.72696	0.8
208.03670	2.1
209.04523	2.1
223.06049	15.3
226.02698	3.6
227.03453	1.3
242.02216	1.7
243.02950	5.9
255.02975	1.6
270.01736	7.3
271.02444	8.8
284.03333	1.5
285.04047	21.9
286.04333	1.4
299.01978	16.7
300.02606	2.9
300.21942	0.8
312.02917	1.3
313.03561	27.4
314.04309	19.7
315.04965	4.4
327.05057	4.0
328.05817	8.3
329.06647	19.4
330.07007	2.0
409.07416	1.1
437.14569	3.8
467.15222	1.2
491.11816	1.1
575.10455	1.3
590.12384	1.4
591.13831	1.7
605.15143	100.0
606.15448	16.1
623.15942	3.9
624.16754	1.1
829.21893	7.0
830.22626	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	829.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.4
63.02269	1.4
65.00194	1.5
68.99684	0.1
69.92310	0.8
71.01254	2.5
72.99172	1.4
73.02780	0.2
75.77589	0.2
81.03365	0.2
83.01260	1.4
84.45965	0.2
85.02833	1.0
87.00719	0.3
90.93393	0.2
93.03345	0.3
95.01255	0.7
99.00753	0.5
105.03344	0.6
106.06499	0.3
107.01273	2.3
108.02105	0.2
109.02864	1.4
110.16462	0.1
112.65645	0.2
113.02342	1.3
115.00254	0.7
121.02847	1.0
125.02358	0.3
132.02052	0.4
133.02849	9.6
134.03160	0.2
135.04407	0.5
149.02359	3.3
150.03107	0.2
150.05524	0.3
151.00278	4.3
151.03886	0.3
153.01801	0.2
160.15184	0.2
163.03946	0.5
164.04671	1.1
165.01851	0.2
169.01517	0.2
171.04395	0.6
175.00368	0.8
175.03943	3.3
176.01031	0.4
176.04300	0.2
177.01836	0.6
179.07066	0.2
185.06055	0.6
189.05505	0.3
190.02676	2.1
191.03311	0.6
193.01352	0.2
197.06012	0.4
198.03197	0.3
199.03951	2.5
201.01967	0.8
205.05008	1.7
211.03976	0.4
212.04712	0.3
213.05518	0.6
215.03381	0.6
217.05032	1.4
223.04022	0.3
223.05972	1.2
229.04973	0.4
239.03557	0.2
240.04221	0.3
241.05135	1.0
241.07271	0.2
243.02884	0.5
255.02972	0.3
256.03870	0.3
256.33490	0.2
257.04523	0.5
265.07144	0.6
267.02921	0.5
283.02625	0.2
284.03259	2.2
285.04031	100.0
286.04379	8.5
295.08258	0.2
297.04050	0.7
298.04846	0.3
299.05624	0.7
300.05823	0.2
309.03912	0.4
313.03552	0.3
319.06586	0.4
327.05078	4.0
328.05496	0.6
337.07623	0.7
339.05118	0.5
356.09949	0.3
357.06195	0.5
367.10495	0.4
369.06265	0.3
381.05981	0.3
399.07047	0.4
400.07584	0.2
409.56903	0.2
443.05984	0.6
489.10550	0.3
543.13470	2.5
544.14581	0.3
561.12317	0.2
623.12732	1.7
624.12976	0.4
625.24127	0.2
637.14215	0.5
669.14471	0.2
695.15594	0.8
829.18378	4.3
830.18610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.6
60.12455	0.3
60.95261	0.4
61.98684	1.0
69.03331	2.3
69.82317	1.9
70.35244	0.3
71.01248	7.5
72.99195	0.4
73.02821	2.0
76.27277	0.4
78.95779	0.5
79.22894	0.3
83.01252	1.3
83.04897	0.5
84.02052	0.5
85.02822	8.9
85.06440	0.5
87.00742	2.7
89.02311	3.6
91.03888	0.5
95.01254	0.7
95.04910	0.4
95.14776	0.3
96.95883	0.6
97.02815	1.3
97.06458	1.4
99.00790	0.8
101.02329	5.7
107.27844	0.3
111.04517	0.3
113.02332	3.8
115.03875	0.3
119.03364	1.5
125.02290	0.5
125.09572	0.5
127.11158	0.9
130.03897	0.3
133.04944	0.9
135.07970	0.4
137.09618	1.9
143.03407	0.6
145.04959	1.9
148.35188	0.3
155.10680	0.5
157.04974	0.6
160.78401	0.4
161.04466	3.2
171.10175	19.5
172.10529	0.9
177.12776	0.5
179.05516	1.1
183.13831	4.1
188.90887	0.4
193.12314	0.5
195.13846	0.4
197.11786	0.6
201.11235	1.2
209.11824	0.6
211.13358	5.9
212.13588	0.5
221.11819	0.7
229.14429	3.3
233.22650	0.7
235.08191	18.6
236.08478	0.8
239.12875	0.7
251.16469	0.6
253.09265	25.2
254.09601	0.9
259.20807	0.6
269.17575	0.4
277.21719	100.0
278.22076	9.7
291.19669	4.4
292.19998	0.4
293.21295	0.8
295.22839	1.1
309.20697	12.4
310.21118	1.0
311.22284	0.8
327.21759	70.0
328.22095	6.5
422.75879	0.4
513.30530	0.5
545.29810	1.7
546.29620	0.5
563.30554	2.0
587.34448	0.4
587.43341	1.4
588.43225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.1
61.98701	1.3
63.27364	0.4
69.03309	0.4
71.01244	3.0
73.02831	0.9
75.99965	0.4
76.10947	0.4
83.01267	0.8
83.04903	0.9
85.02826	1.0
87.00764	1.4
89.02318	1.7
89.03891	0.5
93.03318	0.5
96.95892	1.0
97.02832	0.9
97.21394	0.4
99.00744	0.6
101.02322	1.9
101.35078	0.4
104.96262	0.4
105.03321	0.5
113.02373	0.7
115.00261	0.5
117.03356	1.2
119.04925	0.9
121.02891	0.6
125.02361	1.7
129.01834	0.4
131.18147	0.4
132.02057	28.9
133.02902	2.0
134.03616	12.1
135.04422	0.6
137.02351	0.7
147.04390	0.5
149.05984	1.9
160.01555	89.3
161.02191	4.9
163.03928	0.7
171.10141	1.1
175.03908	100.0
176.04271	4.9
178.02614	1.7
179.03400	1.0
183.13788	0.9
193.04968	12.1
194.05458	0.5
197.11765	0.4
209.11755	10.5
211.13316	8.3
211.15175	0.2
216.22287	0.5
227.12808	2.7
249.14857	0.6
265.07050	1.2
289.07086	0.6
319.08081	0.9
323.09644	0.5
337.09021	0.6
361.09015	0.9
379.10211	0.5
397.13510	3.4
415.14493	1.3
451.81400	0.5
513.13922	0.6
541.14972	0.8
559.16382	1.1
565.15546	0.7
583.16388	3.3
601.17621	3.7
602.17853	0.5
625.17584	1.7
626.33936	0.4
643.18799	3.3
702.02753	0.5
735.22266	0.6
759.21429	5.1
760.21741	1.0
777.22296	2.5
778.21863	0.5
780.83350	0.4
819.23407	8.8
820.24036	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	823.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71386	0.5
59.01250	14.8
61.98700	1.7
69.03314	2.8
71.01251	13.3
71.04874	0.6
72.99182	1.0
73.02825	2.4
81.03339	0.6
83.01250	2.0
83.04902	1.4
84.02066	0.6
84.74622	0.5
85.02822	13.5
87.00757	1.5
89.02307	10.6
91.03880	0.6
95.01278	1.3
95.04897	1.6
96.95878	1.0
97.02828	2.2
97.06463	8.1
98.20560	1.2
99.00796	0.7
101.02328	9.6
101.77323	0.5
113.02309	4.4
119.03387	2.5
123.08025	3.5
125.02329	1.3
125.09608	29.4
126.09969	0.7
127.11186	1.5
137.09621	3.8
143.03429	1.2
151.42296	0.5
155.10645	1.1
161.04448	3.6
164.08615	0.4
165.12711	0.8
169.08601	0.9
171.10173	36.1
172.10466	0.8
177.12770	0.7
179.05525	1.8
183.13797	2.1
185.11673	0.7
187.09669	12.8
188.09915	0.7
193.12286	0.8
197.11687	0.9
201.11270	1.6
209.11760	1.7
211.13351	10.9
221.11731	1.6
227.12830	0.7
229.14412	9.5
229.16560	1.1
235.08200	7.4
239.12880	2.0
247.20564	1.0
253.09251	28.1
254.09607	0.8
255.23254	15.7
256.23660	0.7
277.21707	74.7
278.22037	5.2
291.19714	6.8
293.21274	0.8
309.20700	23.1
309.24301	1.1
310.20999	1.7
311.22229	0.8
327.21747	100.0
328.22058	5.9
397.13477	1.1
410.73843	0.6
437.53522	0.6
470.34268	0.6
514.80249	0.7
545.29999	2.6
563.30560	5.2
564.30774	0.9
567.22760	1.0
587.42834	3.2
588.42908	0.6
823.46924	41.8
824.47321	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	819.2356
Annotation	Smiglaside C
Peak:m/z	Relative Intensity
59.01249	4.3
61.98703	0.3
65.00228	0.2
69.03330	0.2
69.70367	0.7
71.01251	1.5
73.02805	0.9
75.00735	0.2
81.03331	0.4
83.01252	0.3
83.04895	0.2
85.02837	0.4
86.91057	0.2
87.00734	0.4
88.45133	0.2
89.02325	0.6
89.03846	0.3
93.03285	0.2
95.01237	0.2
96.40269	0.2
96.95911	0.4
97.02843	0.5
99.00777	0.3
101.02311	1.3
104.02576	0.5
113.02338	0.8
117.03365	0.8
119.03395	0.2
119.04923	0.3
121.02847	0.3
125.02329	0.8
132.02065	29.5
133.02951	1.7
134.03630	15.5
135.04361	0.9
137.02348	0.6
147.04402	0.4
149.05969	2.7
150.03146	0.2
159.04443	0.2
160.01567	97.5
161.02220	5.7
162.03038	0.4
163.03864	0.2
174.03192	0.2
175.03918	100.0
176.04256	3.9
177.05412	0.2
178.02629	2.0
179.03421	1.0
188.04739	0.3
192.04367	0.2
193.05000	13.1
194.05359	0.7
203.06937	0.3
206.05850	0.2
207.06598	0.2
209.11768	2.8
210.12155	0.2
211.13307	1.5
227.12830	0.4
235.05986	0.3
247.06169	0.8
249.69228	0.2
251.05817	0.2
265.07224	0.6
319.08340	1.0
337.09241	1.2
339.78171	0.2
379.10654	0.2
397.13583	0.9
399.04044	0.2
415.14667	0.3
499.14224	0.3
513.14056	2.0
514.14532	0.2
523.14282	0.2
541.15759	0.9
559.16589	0.8
565.15527	0.5
583.16827	1.9
590.66870	0.2
601.17725	2.8
602.18115	0.4
625.17883	1.2
643.18909	2.3
644.18542	0.2
717.20441	1.2
735.21631	0.5
759.21381	3.4
760.21466	0.6
777.22437	5.4
778.23102	0.6
801.40002	0.2
819.23547	9.6
820.23700	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	819.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.0
60.99193	0.3
61.98701	2.3
69.03335	0.4
70.29037	0.9
71.01255	3.1
73.02831	1.1
75.00761	0.4
75.59277	0.3
80.91579	0.6
80.96355	0.4
81.03318	0.3
83.01235	0.6
83.04895	0.4
85.02828	1.3
87.00773	1.0
88.98650	1.7
89.02340	1.1
96.00815	0.4
96.95901	0.8
97.02811	0.4
99.00787	0.3
101.02334	2.3
104.02583	0.5
110.16131	0.3
113.02342	1.1
113.03472	0.4
114.01926	0.4
115.00269	0.5
117.03359	0.9
117.24916	0.3
119.03374	0.6
119.04926	0.8
121.02808	0.7
125.02314	1.4
132.02063	28.2
133.02763	1.1
134.03624	12.8
135.04379	0.7
137.02289	0.8
143.03471	0.4
145.02922	0.3
149.05980	2.1
160.01563	89.6
161.02016	5.4
161.04471	0.5
163.03922	0.4
163.11188	0.4
165.12682	0.4
171.10168	0.3
175.03912	100.0
176.04268	5.0
178.02605	2.1
179.03246	0.5
179.05443	0.4
183.13803	0.8
190.58211	0.3
193.04974	11.8
197.11708	0.4
207.10052	0.4
209.11746	8.3
210.12198	0.5
211.13332	8.3
225.11386	0.5
227.12833	2.2
235.06009	0.6
235.08144	0.5
247.06157	0.4
253.09059	0.5
265.07126	0.9
289.07074	0.5
301.07047	0.4
319.08014	1.0
337.09189	0.7
349.06915	0.4
361.08829	0.5
397.13425	2.7
415.14563	0.4
513.13739	1.2
523.13776	0.5
541.15900	0.7
559.16339	0.8
583.16412	2.3
601.17584	3.7
625.17511	0.7
643.18854	3.5
644.19250	0.4
701.32562	0.5
717.20197	0.9
735.21014	0.8
759.21320	3.7
760.20868	0.6
777.22510	3.8
778.22052	0.8
819.23608	7.7
819.39001	1.0
820.23199	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	805.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35537	0.3
59.01247	3.8
61.98705	5.1
61.99016	0.6
66.49822	0.3
71.01255	2.5
71.04882	0.3
71.53059	0.4
72.99171	0.5
73.02819	0.4
78.95822	0.3
80.96397	1.0
82.21754	0.3
83.01246	0.4
85.02810	0.6
87.00735	0.6
89.02325	1.8
91.45255	0.3
101.02322	2.1
111.07991	0.4
113.02325	1.3
113.09608	0.3
119.03336	0.4
121.10081	0.6
137.02419	0.3
137.13022	0.3
152.99454	0.4
154.76260	0.4
161.04430	1.2
171.10175	3.0
179.05524	0.7
179.14333	0.8
195.13832	8.1
196.14250	0.6
205.12289	0.5
209.48529	0.3
211.13374	0.8
223.11365	0.5
223.13359	5.5
228.13675	0.9
231.21083	0.6
235.08185	1.3
249.11049	0.9
251.16579	0.6
253.09268	17.6
254.09647	0.7
256.13049	1.1
265.21652	0.6
275.20142	8.0
276.20441	0.8
277.21732	2.7
291.19604	1.0
293.21219	100.0
294.21570	9.5
309.20618	2.1
492.22311	0.5
529.30280	0.6
569.42181	1.3
805.42267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.1
61.98701	61.6
67.33875	0.7
71.01258	3.2
71.53065	0.8
71.88735	0.6
72.99127	0.7
80.96393	2.8
87.00735	0.7
89.02351	3.0
96.99211	0.9
97.02866	1.2
101.02345	1.8
108.42999	0.6
113.02325	1.5
125.02359	1.6
141.01599	56.3
171.10188	0.7
197.11812	2.0
235.08066	1.2
243.04825	0.9
253.09369	1.0
265.63385	0.8
277.21674	6.9
278.22107	1.3
359.22098	4.8
397.13516	12.8
415.14722	3.8
419.11652	3.4
437.12753	4.7
675.36353	0.9
697.34607	2.0
817.37494	1.0
817.51270	1.3
821.07104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98703	44.5
61.98959	0.9
71.01263	4.2
71.52916	1.3
71.53274	1.3
78.95792	1.4
80.96397	1.6
82.21818	1.0
85.02821	1.5
89.02328	3.7
90.37152	1.2
94.97986	1.0
97.02808	1.8
101.02335	2.4
109.06448	1.3
116.92678	1.0
125.02308	1.8
141.01601	58.5
160.62801	1.1
197.11809	1.5
207.10310	1.7
209.11719	2.7
211.13362	1.3
222.10927	1.2
235.08205	1.9
277.21655	6.5
311.22369	1.7
327.28806	1.1
359.22021	5.8
397.13434	13.3
415.14285	3.1
419.11725	2.0
437.12576	2.6
697.34198	1.9
817.51166	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01251	6.7
59.56876	0.4
61.98706	1.8
66.32935	0.4
69.03340	0.6
69.81651	0.7
69.82044	0.7
71.01249	5.1
71.04928	0.4
73.02808	1.3
78.95770	0.3
83.01270	0.6
83.04894	0.9
85.02818	1.2
87.00737	1.0
89.02316	3.1
95.01258	0.5
97.06491	0.6
101.02314	5.1
102.81015	0.3
109.06482	0.4
111.08044	4.6
113.02332	2.2
113.52922	0.3
119.03392	1.4
125.02311	0.5
127.07561	0.5
133.04945	0.6
145.04918	0.5
154.44794	0.4
161.04501	2.0
163.68454	0.4
169.12277	2.2
171.10226	2.0
179.05443	0.4
181.12263	0.6
185.11816	0.4
195.13890	0.5
197.11766	20.5
198.12062	1.3
199.13409	1.8
207.13931	0.6
209.15422	3.1
211.13362	2.7
223.17029	1.0
225.14877	3.4
227.12837	0.6
229.19659	0.5
233.15453	0.8
233.22571	0.5
235.06062	0.7
235.08215	7.0
237.97447	0.4
251.16447	2.3
253.09268	14.2
255.23355	0.6
263.20163	1.5
265.17886	0.8
273.18588	2.1
277.21722	100.0
278.22092	9.3
291.16312	0.7
291.19653	14.2
292.20010	1.1
309.20709	31.5
310.20947	2.8
415.19916	0.4
527.28754	0.6
530.50293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	2.5
62.68880	0.4
63.02259	1.2
65.00195	3.3
67.03784	0.4
93.03318	2.0
109.02834	1.4
109.06458	1.4
109.52712	0.4
116.92750	3.1
121.02842	9.7
129.06996	0.5
131.08539	1.1
133.02898	2.1
133.06497	9.7
134.03639	1.5
135.04408	5.9
137.02345	1.8
139.03882	1.0
147.08047	0.7
149.02374	1.1
149.06093	0.6
151.07558	3.5
161.02368	5.2
163.00229	0.6
173.05975	0.5
175.07561	3.6
176.01065	3.1
177.01888	0.7
178.02635	0.9
179.03421	4.3
189.01875	0.5
191.07047	1.8
197.11696	0.7
211.13329	1.1
219.06577	27.9
220.06868	1.6
237.07600	1.3
240.04225	0.5
247.06116	7.9
248.06450	0.6
257.04584	1.1
261.07541	0.8
285.03989	1.5
297.03833	0.9
297.11182	0.6
313.10587	0.5
314.04434	0.6
325.03860	0.5
341.10175	0.7
369.09775	100.0
370.10104	11.1
435.27475	28.3
435.36343	0.6
436.27921	3.6
449.53516	0.5
472.53247	0.5
545.76959	0.5
696.86877	0.6
703.27094	0.5
769.40625	1.0
805.37970	0.7
819.77234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93988	1.1
57.03315	1.2
58.00440	1.4
59.00951	1.5
59.01248	22.8
61.98706	8.8
71.01251	18.7
71.08734	2.5
72.99187	1.0
73.02796	1.1
83.01228	1.3
85.02811	4.9
87.00729	1.5
89.02321	10.4
95.01253	1.4
96.95899	2.7
99.00746	1.3
101.02328	10.4
106.06494	4.3
107.03656	1.7
113.02322	6.6
119.03381	4.6
120.08070	9.4
121.02795	1.1
122.05999	15.9
125.02371	1.2
129.01860	1.5
132.04449	1.6
133.02829	1.7
134.03659	1.8
134.05008	1.7
134.06004	24.4
135.04396	4.6
136.07597	1.2
137.02301	1.3
152.07054	6.2
160.01553	3.3
161.02376	5.4
161.04468	1.4
171.10159	2.0
175.03947	1.5
179.03452	2.6
190.04965	3.5
197.11772	3.3
209.11787	10.0
223.08719	3.4
235.08530	1.4
237.10260	3.6
238.11072	2.2
239.11879	4.6
248.09306	1.1
249.06563	1.9
249.10336	3.1
250.07349	1.2
251.08246	2.5
251.11823	5.6
252.12703	1.6
253.13974	1.1
263.08258	4.5
263.11780	2.1
264.09003	9.5
265.09753	6.7
265.13480	1.0
266.10220	1.5
276.08942	1.4
277.09753	6.3
278.10474	2.5
279.11359	22.8
280.12015	4.5
281.12744	2.4
291.11533	6.8
292.12000	4.7
293.12894	3.5
305.09338	2.0
314.12476	2.3
323.10327	3.1
324.11011	4.5
325.11835	1.7
328.05472	1.2
337.11942	1.2
338.82639	1.2
342.16058	1.9
370.15787	1.8
384.17181	2.6
386.18759	2.4
389.23480	1.3
397.13388	1.4
399.19345	1.3
401.21515	1.5
402.17807	1.4
412.16391	1.3
414.18359	1.1
426.17923	2.0
444.19214	2.8
452.80789	1.1
462.20258	1.8
470.17264	1.0
472.18533	2.8
473.19656	1.6
490.19452	6.4
606.24500	3.1
610.24457	1.3
623.25323	1.2
650.23480	10.2
651.24072	9.5
652.24878	1.9
682.26215	14.8
683.26300	2.2
745.29999	1.9
758.04584	1.2
773.30359	100.0
774.30560	19.8
805.32971	41.9
806.33368	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	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98388	0.2
69.28230	0.2
69.28642	0.6
71.01229	0.1
78.95756	0.2
80.96365	0.2
90.66171	0.1
91.89110	0.1
311.66574	0.1
322.94058	0.1
656.28516	0.1
804.39038	0.2
834.38617	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01252	27.3
61.98689	3.2
71.01247	18.1
71.15002	1.0
72.99174	2.4
79.95597	1.3
83.01255	2.0
85.02830	5.1
87.00719	1.0
88.82475	0.9
89.02316	12.0
93.03322	1.3
95.01234	1.1
96.95896	2.8
101.02335	6.1
109.02801	1.1
113.02328	4.7
117.02562	1.6
117.03349	25.2
118.03696	1.2
119.03391	3.5
119.04915	47.9
120.05244	2.1
121.02828	3.1
123.04401	1.8
125.02377	1.6
125.08869	0.9
128.03589	0.8
132.05650	1.9
134.03658	1.8
135.04414	0.9
137.02383	1.6
137.35477	0.8
139.03937	1.0
140.86342	0.8
145.02855	76.7
146.03162	3.2
147.04370	1.2
149.02335	1.7
151.00372	0.9
161.02344	0.9
162.03085	1.5
163.03922	28.7
164.04312	1.4
165.01857	1.0
165.05472	0.9
175.03876	1.2
177.05429	5.5
201.05475	2.3
216.92143	0.9
225.05304	0.9
238.86237	0.8
284.03101	0.9
299.05576	1.2
311.09125	1.5
313.07050	1.2
323.05579	1.2
324.06363	1.3
337.07199	2.4
338.07932	1.1
339.08673	6.6
351.08362	2.2
352.09409	2.1
353.10547	1.5
354.10962	4.4
367.11908	1.8
369.13440	2.2
383.07584	1.8
398.10004	5.7
413.12326	3.4
467.09897	1.2
490.60974	0.9
530.15790	1.4
545.18164	100.0
546.18469	13.7
805.20148	74.1
806.20490	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	803.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
65.00195	0.5
69.62428	2.1
75.06130	0.4
77.03822	0.4
81.03304	0.5
85.02812	0.8
87.18629	0.3
98.20580	0.5
98.89972	0.4
107.01249	0.6
109.02835	1.6
119.04893	0.6
121.02833	1.3
123.04445	0.4
124.09012	0.3
125.02338	1.4
133.02831	9.8
134.03516	0.3
135.04396	1.2
137.02266	0.6
145.02859	0.5
147.04482	0.5
148.01569	0.5
149.02351	0.7
151.00266	0.4
151.03888	0.4
161.02350	1.3
163.00258	1.1
163.03896	2.7
165.01820	2.1
175.03894	2.0
176.50093	0.4
177.01886	1.1
185.62524	0.4
187.03928	0.4
191.01872	0.6
191.03430	1.9
193.01331	1.0
198.02960	0.4
199.04012	1.1
201.01863	0.9
212.04726	0.5
213.05527	1.1
217.04855	0.4
225.05551	0.7
228.21928	0.4
231.06625	0.4
240.04309	0.8
241.05000	0.6
243.02989	0.7
253.05037	1.1
254.05716	0.5
255.03004	0.7
255.06570	0.5
257.04523	0.6
269.04501	1.1
281.04443	0.6
284.03259	7.5
285.04025	6.2
297.04047	14.0
298.04773	7.3
299.05557	16.1
300.05960	0.8
309.03952	0.6
311.05502	2.4
319.13403	0.4
324.02731	0.6
325.03583	0.8
327.05072	100.0
328.05444	7.4
339.05014	2.4
340.05563	0.6
341.06689	0.8
357.06149	25.2
358.06363	2.2
369.06122	2.8
393.06149	0.8
411.07199	0.6
447.09283	83.5
448.09668	10.1
597.04834	0.5
779.84753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	4.0
57.16339	1.1
58.00461	3.5
59.01250	62.6
61.98705	18.2
62.66677	1.2
65.03809	2.2
69.03310	4.9
71.01251	62.6
71.04881	1.6
71.52893	1.8
72.99163	5.2
73.02818	7.5
75.00735	2.5
79.30349	1.3
81.03328	4.6
83.01254	7.4
83.04893	9.2
84.12561	1.3
85.02806	12.5
85.06448	3.0
87.00741	13.7
89.02316	41.9
93.03322	2.2
95.01250	3.9
95.04883	1.8
96.64980	1.1
96.95886	3.4
97.02797	6.6
97.06451	5.1
99.00729	3.8
101.01701	2.1
101.02323	32.6
107.04915	1.2
109.02753	1.8
109.06462	4.0
111.04345	1.9
111.08039	8.6
113.02323	15.6
113.25637	1.6
119.03408	7.6
119.04893	3.9
121.02836	1.6
125.02341	13.5
125.09633	12.3
128.03398	1.6
131.03400	1.5
137.02344	1.9
137.09622	3.2
141.01776	1.6
143.03381	4.4
145.06126	2.5
146.04427	2.6
155.10634	1.4
161.04448	4.7
163.11128	1.4
167.03377	1.8
170.23106	1.4
171.10168	63.9
171.11653	3.2
172.10501	1.9
177.01781	1.4
179.05524	11.9
179.48447	1.3
183.13782	1.8
185.11743	3.0
187.14790	2.9
189.16280	1.4
205.15868	5.8
207.13765	5.3
209.11777	12.4
211.13344	12.9
215.14357	6.1
219.10185	2.2
221.06642	7.0
221.15395	5.6
231.13864	5.7
233.15392	39.6
233.17752	1.9
234.15793	1.6
235.08138	5.9
235.13417	3.6
249.14929	36.6
251.16393	1.6
257.17532	2.1
263.07825	1.5
283.19003	2.3
305.08755	1.5
323.09851	1.8
323.23895	2.7
331.26346	3.1
341.24820	8.1
357.24567	1.8
359.26035	4.4
367.22873	3.4
375.25180	3.7
379.12457	6.2
385.23822	18.3
386.24054	2.6
393.26407	2.6
397.13513	29.2
397.83237	1.3
403.24881	45.6
404.25293	5.3
415.14523	5.5
421.25970	27.0
422.26245	2.6
463.26541	1.7
467.73758	1.5
544.76532	1.6
551.23450	1.8
557.57660	1.6
569.24567	1.8
629.28546	3.7
639.33545	1.7
647.29181	2.8
773.39899	4.1
783.38031	70.7
784.38507	15.4
801.39136	100.0
802.39691	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	801.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.0
61.98700	100.0
62.10778	2.1
78.95765	3.3
84.68088	2.2
93.95831	2.4
98.20570	5.0
100.72803	3.0
101.02319	3.5
102.05291	2.8
116.68167	2.1
125.09622	2.2
163.11148	3.2
201.11218	13.5
209.11748	40.0
210.12061	2.5
227.12787	4.3
235.08372	3.0
253.09264	5.7
264.26776	2.6
277.18869	4.5
277.21683	42.7
278.22055	5.4
289.18069	5.1
341.10831	2.3
357.62430	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	801.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.2
58.00457	2.0
59.01250	60.4
61.98703	42.1
69.03330	4.0
71.01255	53.9
71.20196	2.8
72.99179	4.6
73.02809	6.8
78.95775	2.7
79.95592	2.7
80.96386	3.1
81.03313	3.3
83.01260	4.8
83.04895	9.5
85.02819	14.1
85.06453	2.2
87.00750	11.1
89.02312	33.6
90.23063	1.9
93.03313	2.6
95.01267	4.8
96.95891	26.9
97.02817	3.7
97.06464	6.1
99.00767	4.1
101.02325	30.0
102.91268	2.4
109.02802	2.2
109.06481	3.4
111.08073	4.1
113.02352	16.2
114.01871	2.0
119.03374	6.5
119.04914	5.9
123.00718	2.5
125.02298	12.2
125.09612	13.2
131.03362	2.5
137.02281	2.2
137.09630	2.9
143.03398	5.0
145.02832	6.5
161.04448	9.1
163.03889	2.7
163.11186	2.3
171.10165	50.8
179.05556	15.7
187.14894	2.2
202.37584	2.0
205.15997	5.5
207.10358	2.2
209.11839	21.1
211.13295	24.2
215.14346	3.5
221.06659	5.3
221.15479	3.8
222.84048	2.1
231.13875	6.4
233.15416	34.6
234.15698	4.8
235.08171	4.5
249.14914	31.0
250.15436	2.8
253.09128	2.5
341.24811	7.2
375.25534	3.8
379.12387	6.5
385.23819	15.8
386.24036	3.1
397.13486	33.5
398.13797	2.4
403.24875	42.4
404.25046	3.8
415.14661	5.8
421.25845	23.0
422.26306	5.1
629.27783	3.2
647.29602	2.9
661.86627	2.5
773.39081	3.4
783.38037	74.0
784.38464	19.7
801.39105	100.0
802.38989	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	799.3761
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03309	2.2
59.01250	35.0
61.98703	51.4
65.03844	4.2
69.03334	3.9
71.01256	30.5
72.60239	1.8
72.99184	4.7
73.02813	5.6
74.46871	1.6
81.03304	2.9
83.01276	3.8
83.04907	3.0
85.02835	7.3
87.00766	3.8
89.02327	15.1
96.95889	2.5
97.02821	4.5
97.06452	2.3
101.02326	19.5
105.06965	2.0
113.02340	8.8
115.05431	4.0
119.03415	3.3
119.04910	5.6
121.02782	2.0
123.08012	2.6
125.02357	6.0
125.09599	13.5
139.03929	1.8
143.03317	1.6
153.09145	2.3
154.02567	1.6
157.43182	1.8
161.04453	4.2
163.03937	3.9
163.11211	1.8
178.05875	1.5
179.05508	2.5
185.11725	3.8
187.09694	1.9
187.14775	8.6
201.12999	1.7
209.11754	17.2
211.13364	2.2
213.12769	6.9
221.06548	6.6
231.13869	20.7
235.08360	2.4
249.14745	3.2
339.23312	2.5
357.24240	3.3
363.95886	2.0
383.22119	14.1
397.13455	7.2
401.23346	17.7
402.23883	3.1
419.24329	4.7
546.69537	2.2
659.46545	2.1
781.36511	100.0
782.36798	23.0
799.37628	19.0
800.37842	5.6
807.91821	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	800.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.1
61.98702	100.0
62.98407	0.1
70.39545	0.1
70.39872	0.2
71.01263	0.1
91.07023	0.1
121.51081	0.1
145.51924	0.1
155.16051	0.1
201.96837	0.1
209.11748	0.1
211.13449	0.2
331.00180	0.1
502.95728	0.1
563.58185	0.1
783.38867	0.1
801.36810	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01234	4.6
61.98702	50.3
63.96102	2.1
66.88046	1.4
69.03345	1.9
69.74541	6.9
71.01252	14.0
73.02814	2.3
78.95770	1.7
78.98466	6.0
79.95611	14.7
80.96391	93.0
85.02830	5.0
87.00731	2.1
93.03326	2.2
94.97963	22.8
96.95871	4.2
97.02824	2.9
99.00751	2.3
101.02309	4.3
106.97964	4.5
107.05881	1.6
108.97236	1.4
122.97478	3.4
125.02317	5.2
134.97499	7.4
136.99008	2.2
137.02367	2.0
148.99007	8.2
152.98518	6.6
164.98544	16.2
169.07243	1.5
171.10144	1.4
206.99594	5.1
209.11757	14.5
210.12036	2.3
211.13257	4.6
225.00696	32.3
254.35789	1.3
285.04156	2.5
354.69186	1.5
397.13101	1.8
422.07913	1.6
541.19659	3.5
670.84485	1.8
681.27020	1.5
783.38049	1.8
801.35803	100.0
802.36066	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	790.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51807	0.1
59.01237	0.1
61.98701	100.0
71.01244	0.1
71.52012	0.1
79.95613	0.1
85.02837	0.1
87.00757	0.1
95.35447	0.1
96.95909	0.3
99.00741	0.1
101.02330	0.1
104.52374	0.1
116.92714	0.2
117.03361	0.3
119.04913	1.3
120.05270	0.1
124.58201	0.1
125.02382	0.1
133.81845	0.1
134.75862	0.1
145.02841	0.5
163.03914	1.3
164.04282	0.1
171.10185	0.1
182.78969	0.1
197.11673	0.2
204.08821	0.1
209.11784	0.3
211.13348	0.4
235.02950	0.1
241.14340	0.1
246.08553	0.1
253.09369	0.1
271.06033	0.1
285.04083	0.3
288.31567	0.1
300.02866	0.1
315.05029	0.1
435.66937	0.1
545.17834	0.6
569.16663	0.1
608.08844	0.1
709.23175	0.1
727.23865	0.8
728.24231	0.2
789.42242	0.2
790.42432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84584	0.2
59.01248	0.7
61.74326	0.2
61.98702	0.8
71.01254	0.2
72.87431	0.2
73.02814	2.9
75.00735	0.5
92.92786	0.2
99.00752	0.8
99.92456	9.3
100.92453	0.5
113.67732	0.2
114.93284	0.5
116.92742	100.0
116.97112	2.2
117.01818	5.9
117.92752	5.0
125.02361	0.3
141.01598	0.3
157.07957	0.2
163.42029	0.2
277.21552	0.2
280.02859	0.2
280.77609	0.2
327.02924	0.2
335.17612	0.2
405.15674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
61.98712	0.8
65.62199	0.1
70.32066	0.1
71.01249	0.4
71.08089	0.2
73.02818	10.0
74.02361	0.2
75.00743	2.3
75.01139	0.2
81.00188	0.1
87.00770	0.3
89.02306	0.2
99.00754	2.7
99.92455	10.5
100.92479	0.5
114.93295	0.4
115.00242	0.2
115.99796	0.2
116.03431	0.4
116.92742	100.0
117.01816	19.5
117.05462	1.0
117.92753	5.3
118.02168	0.3
149.64157	0.1
277.21762	0.4
345.19751	0.2
397.13571	0.5
415.14285	0.2
455.04919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.6
60.47502	0.2
61.98702	100.0
71.01269	0.6
71.23665	0.3
72.20282	0.2
75.84677	0.2
85.02818	0.2
89.02335	0.2
96.95887	1.7
101.02317	0.3
113.02316	0.2
116.34067	0.2
116.92764	0.6
117.03377	0.5
119.04929	1.9
120.05286	0.2
136.07594	0.5
140.64792	0.2
145.02867	1.5
154.79836	0.2
163.03908	1.4
166.02570	0.2
174.77823	0.2
175.03918	0.3
185.11649	0.2
197.11742	1.0
198.12161	0.2
199.13225	0.2
201.11330	0.2
209.11797	0.8
210.12123	0.4
211.13411	1.0
212.13715	0.3
233.95639	0.2
235.08220	0.2
279.92325	0.2
341.23718	0.3
343.24008	0.3
397.13269	0.3
516.66522	0.2
588.63428	0.2
593.28363	0.2
596.26105	0.2
610.28351	0.3
616.64148	0.2
727.24072	2.2
777.00464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98701	100.0
71.01257	1.1
71.52582	0.4
72.99245	0.3
96.95910	0.8
98.10896	0.3
104.00657	0.3
111.00836	0.4
116.92742	0.7
117.03362	0.9
119.04913	7.8
119.05727	0.4
121.02841	0.3
145.02853	3.5
155.67091	0.3
162.03113	0.6
162.53029	0.3
163.03935	6.7
163.05200	0.6
171.10258	0.6
197.11758	0.4
209.11754	0.3
211.13373	0.5
252.06483	0.3
253.09375	0.4
279.31393	0.3
571.65155	0.3
581.20544	0.5
727.24072	3.3
728.24353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62672	0.7
59.01260	5.4
61.27308	0.6
61.98698	7.2
61.98949	0.5
64.75758	0.5
66.13712	0.5
66.53056	0.5
67.24289	0.5
68.91260	0.5
68.99720	0.6
69.03304	0.7
71.01252	2.2
71.53414	1.0
73.02826	1.0
75.00767	1.1
78.95789	0.7
79.95609	1.3
80.96400	1.6
83.01260	0.9
83.04910	0.9
85.02846	1.3
87.00758	0.9
93.03334	1.5
96.95900	2.5
101.02338	2.3
104.02584	0.7
112.93621	6.1
113.02322	1.6
113.03458	1.2
114.01894	0.9
114.66872	0.7
117.03349	28.0
118.03698	1.1
119.04913	15.5
121.02852	0.9
125.02361	1.2
131.04539	3.6
132.02065	32.8
133.02805	2.9
134.03630	8.1
135.04424	1.4
137.02367	0.9
143.04869	0.9
145.02853	82.5
146.03194	4.1
149.05975	1.3
158.03549	0.7
159.04474	0.6
160.01569	100.0
161.02304	9.7
161.05969	0.8
163.03929	12.2
171.10159	3.1
173.05984	1.4
175.03920	94.5
176.04248	5.6
177.05481	1.0
178.02609	1.5
191.07066	0.8
193.04944	6.2
197.11867	1.4
209.11783	6.4
211.13330	0.9
217.04985	1.3
218.71724	0.6
225.11319	1.4
227.12790	0.7
229.14374	1.0
235.08226	0.9
253.09250	1.7
289.07126	1.0
307.08231	7.1
327.21750	1.6
343.21219	2.9
401.22598	0.6
483.12744	2.5
483.40079	0.7
553.15527	2.1
571.16339	1.9
595.16058	1.1
613.17554	2.6
643.18268	1.9
687.18945	1.3
729.20459	6.3
730.20557	0.8
747.21429	6.0
748.22076	1.1
789.21942	28.6
789.35907	1.4
790.22009	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	790.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98701	100.0
62.72050	0.2
71.01250	0.2
71.52687	0.1
71.53474	0.2
73.71694	0.1
87.00818	0.1
88.98700	0.2
89.02401	0.2
96.95898	1.2
116.92758	0.3
117.03378	0.2
119.04909	2.0
120.05281	0.2
121.02845	0.3
127.31035	0.1
136.32280	0.2
145.02878	0.7
151.00287	0.2
163.03912	2.0
171.10262	0.3
197.11746	0.2
201.11269	0.2
209.11821	0.6
211.13371	0.5
285.04013	2.1
300.02759	0.9
315.05173	0.9
333.48944	0.2
383.81342	0.2
397.13571	0.2
531.51215	0.2
545.18268	0.4
665.05762	0.2
727.24286	0.5
789.43530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16320	0.1
59.01251	0.4
61.98704	100.0
63.85088	0.1
63.92890	0.1
68.78201	0.1
69.60958	0.1
71.01257	0.3
71.29439	0.2
78.95797	0.2
82.77234	0.2
83.78727	0.1
89.02328	0.2
96.95905	0.6
99.00714	0.1
101.02340	0.1
112.89069	0.2
116.92783	0.5
117.03350	0.7
119.04926	2.7
120.05316	0.2
145.02846	1.4
146.03239	0.2
150.03131	0.2
151.00302	0.1
163.03929	2.2
164.04350	0.3
166.02650	0.2
171.10228	0.2
175.04044	0.2
197.11694	0.7
207.06548	0.2
209.11832	0.2
211.13350	0.8
211.15144	0.1
212.13773	0.2
227.12906	0.2
263.20218	0.2
308.16803	0.2
310.63022	0.2
397.13443	0.2
400.81436	0.2
545.18250	0.3
727.24060	2.5
728.24030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71176	0.1
59.01247	0.3
61.98702	100.0
71.01257	0.4
79.95600	0.4
80.96392	0.5
82.41739	0.1
82.63434	0.1
89.02312	0.2
93.03352	0.6
93.68799	0.1
96.95903	0.8
101.02354	0.2
102.28885	0.1
104.83356	0.2
110.92542	0.2
112.93619	1.2
113.02327	0.2
121.02813	0.2
125.02350	0.4
134.03683	0.2
137.02322	1.1
137.20541	0.1
138.02731	0.2
161.02336	0.2
175.04001	0.2
193.05110	0.1
208.13425	0.2
209.11778	0.8
230.57002	0.1
231.78325	0.1
234.75290	0.1
284.03055	0.1
285.04047	0.5
286.04581	0.2
363.82449	0.2
605.92163	0.2
706.83594	0.2
786.33435	0.2
787.28418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
61.98700	100.0
62.98397	0.1
67.70082	0.1
71.01254	0.3
78.98479	0.1
79.95592	0.1
80.96388	0.9
83.04903	0.1
84.95438	0.1
85.02869	0.1
87.00769	0.1
89.02296	0.1
94.97974	0.3
98.19739	0.2
99.00764	0.1
101.02341	0.2
115.24111	0.1
151.45842	0.1
163.11217	0.1
164.98514	0.2
181.12241	0.1
199.13339	0.2
207.10190	0.1
208.10587	0.1
209.11775	3.7
210.12093	1.3
225.00778	0.3
225.11244	0.5
226.11664	0.3
227.12830	0.5
228.13217	0.1
235.08327	0.2
253.09329	0.3
254.09676	0.1
277.21698	3.0
278.22043	2.1
279.22379	0.4
318.80600	0.1
335.47391	0.1
463.21494	0.1
724.42834	0.2
784.42053	0.6
785.37756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.2
57.03313	2.6
58.00455	1.7
59.00951	1.6
59.01248	32.7
61.98700	13.5
69.03320	2.5
71.01252	27.2
71.01661	0.9
71.39584	1.3
72.99172	2.2
73.02819	4.3
75.00738	1.4
78.95770	1.1
81.03336	1.5
83.01253	2.4
83.04874	2.1
85.02831	6.2
87.00756	6.5
89.02312	22.2
92.96130	0.8
95.01247	2.3
95.01825	0.8
95.04910	1.8
96.95879	4.5
96.96784	0.9
97.02821	3.1
97.06478	1.4
99.00763	1.8
101.01694	1.5
101.02319	16.6
109.06470	2.2
111.04401	0.9
111.08033	1.6
113.02328	9.5
116.96289	0.7
119.03399	4.8
119.04929	0.9
121.02831	0.9
125.02317	6.2
135.08029	1.7
137.09613	1.5
143.03395	1.9
161.04422	2.2
171.10242	0.9
177.12694	1.1
179.05515	8.0
199.13370	0.8
203.14198	1.4
209.11772	3.3
211.13200	1.8
213.14856	1.8
221.06696	4.0
225.11111	0.8
231.17448	1.3
235.08228	3.0
237.14949	0.9
239.16406	1.8
241.18074	1.7
247.13412	1.1
263.07626	1.8
265.18085	1.6
267.19736	1.4
275.16611	1.8
289.18005	1.4
293.21198	1.2
313.25491	0.9
315.26843	2.1
317.28400	0.9
325.25327	5.9
326.25681	1.3
333.27966	1.5
341.24744	4.0
343.26248	4.6
351.23279	2.7
359.26147	5.6
361.27344	3.5
369.24332	6.6
370.24637	1.3
377.26901	2.2
387.25406	19.2
388.25781	2.1
397.13470	11.3
405.26422	37.0
406.26837	4.4
447.27548	0.9
479.29883	1.0
641.35352	1.1
712.47589	1.0
757.40253	1.3
767.38440	1.3
785.39587	100.0
786.39941	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57400	0.8
56.63776	0.8
59.01252	22.1
61.98693	3.7
69.03313	1.8
70.49294	2.9
71.01257	4.9
78.95779	0.9
89.02336	3.8
100.68623	0.8
101.02349	2.1
113.02325	1.8
126.25771	0.8
161.04466	1.8
167.10664	4.0
170.89018	0.8
174.70892	0.8
176.99101	0.8
179.10733	1.7
179.14333	3.2
195.13835	9.5
201.68115	0.9
205.12279	10.6
223.13347	100.0
224.13646	5.1
235.08153	1.1
253.09244	6.7
277.21722	60.5
278.22101	5.3
441.21198	1.6
459.22397	12.9
460.22559	1.2
779.39484	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	777.2247
Annotation	2',6'-Diacetyl-3,6-diferuloylsucrose
Peak:m/z	Relative Intensity
56.31551	0.2
59.01250	2.5
61.98708	0.8
69.03351	0.3
69.22845	0.8
69.23264	1.4
71.01261	1.5
73.02821	0.6
83.01266	0.7
85.02824	0.4
87.00732	0.5
89.02374	0.4
98.19764	0.4
101.02334	1.0
101.23693	0.2
101.45429	0.2
111.00698	0.3
113.02345	0.8
117.03345	0.6
119.04926	0.7
121.02888	0.5
125.02338	0.5
132.02065	23.6
133.02766	0.8
134.03627	13.6
135.04195	0.5
137.02324	0.8
139.03909	0.3
147.04445	0.5
149.05957	2.2
160.01566	79.7
161.01926	3.9
163.03937	0.8
175.03918	100.0
176.04248	5.3
178.02696	1.7
179.03383	0.7
188.04796	0.5
191.07097	0.4
193.04984	13.0
194.05309	0.7
203.07095	0.3
209.11813	0.9
217.05118	0.3
235.06061	0.5
247.06108	0.9
265.07257	1.4
319.08017	0.6
337.09305	1.6
469.23135	0.3
481.13461	0.3
513.13806	1.4
518.52838	0.2
523.14032	0.9
541.15546	3.7
542.15973	0.8
544.70520	0.3
559.16754	3.4
560.17334	0.6
583.16522	1.9
601.17712	6.6
602.17853	1.0
717.20477	2.5
718.20087	0.6
735.22217	1.4
777.22278	3.7
778.22174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
61.98707	1.1
62.82505	0.3
69.03316	0.4
71.01250	1.9
72.99207	0.4
73.02826	0.7
80.56875	0.3
83.01266	0.8
85.02831	1.0
87.00742	0.5
89.02328	0.5
96.95851	0.8
97.02837	0.5
98.20565	0.8
101.02330	1.3
113.02348	1.2
117.03344	1.0
119.04922	0.8
121.02846	0.9
123.04425	0.4
125.02325	1.4
132.02060	25.0
133.02919	1.9
134.03625	15.2
135.04369	1.3
137.02351	1.3
143.03430	0.4
145.02867	0.5
147.04469	0.6
149.02386	0.3
149.06004	2.8
160.01564	91.8
161.02190	5.2
163.03871	0.6
171.10164	0.3
175.03918	100.0
176.04253	4.6
177.01819	0.6
177.05580	0.3
178.02634	2.5
179.03357	1.0
187.03981	0.4
193.04987	14.6
194.05177	0.6
205.04980	0.4
209.11752	1.9
217.05077	0.4
221.08223	0.3
235.06071	0.8
247.06084	0.9
265.07004	1.5
285.03830	0.5
319.08218	1.1
337.09116	1.2
499.14316	1.1
513.14117	1.5
517.15082	0.4
523.14502	1.0
541.15753	2.6
559.16534	4.2
560.15643	0.3
583.16632	1.9
584.16357	0.4
601.17725	3.8
602.18103	0.6
675.19397	1.9
693.20258	0.8
717.20331	6.1
718.20490	0.9
719.67847	0.4
735.21368	6.2
736.22430	0.7
776.39130	0.4
777.22357	9.7
777.36646	0.7
778.22650	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	775.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20153	0.2
59.01237	0.3
61.98712	0.4
71.01253	0.3
77.03910	0.2
78.95777	5.7
79.95603	2.7
83.02366	0.4
85.02805	0.6
96.95890	100.0
96.96792	8.9
97.95841	0.3
98.02354	2.8
98.03419	0.2
98.20540	0.8
101.02336	0.2
119.04879	0.4
121.02856	0.2
125.02293	0.3
126.18597	0.2
133.02774	0.2
137.02357	0.2
151.03859	0.2
161.02345	0.4
161.84309	0.2
163.03896	0.3
191.01874	0.3
213.05458	0.3
217.09747	0.2
225.16058	0.3
227.07130	0.3
247.67233	0.2
286.41940	0.2
437.53262	0.2
488.20911	0.2
543.75079	0.2
677.82343	0.2
690.03668	0.2
716.50598	1.8
735.43298	0.2
775.47809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
58.54970	0.5
59.01245	4.5
61.93241	0.5
61.98698	4.4
69.03321	1.1
71.01247	4.6
71.19624	0.6
71.19971	0.8
73.02809	1.2
75.00751	0.7
78.44061	0.5
78.95735	0.7
80.02538	0.7
81.03329	0.9
83.01209	0.8
83.04897	4.7
84.02049	1.1
85.02819	5.2
87.00758	1.2
89.02309	3.4
95.04905	1.3
96.95880	8.2
96.96854	1.7
97.02827	0.9
97.06459	2.1
99.00723	0.6
101.02322	4.2
109.06451	0.7
113.02334	1.4
116.92710	1.2
119.03364	0.6
119.04919	1.9
125.02320	0.9
125.09593	1.1
127.11140	0.6
133.02846	0.6
134.03590	0.6
137.09634	0.9
145.04962	0.8
161.02422	0.5
161.04449	2.2
162.03317	0.5
163.03911	1.0
163.11261	3.3
165.12761	1.7
171.10167	14.3
172.10558	1.2
175.03961	0.5
177.12675	0.6
179.05525	0.8
183.13811	1.2
185.11723	0.9
191.10678	1.0
193.12334	0.7
197.11775	0.8
201.11284	1.1
209.11754	100.0
210.12129	5.8
211.13304	8.8
221.11795	0.9
227.12842	11.7
228.13208	0.5
229.14352	7.0
235.08165	7.7
239.12851	1.6
247.20621	0.7
253.09242	18.7
254.09592	0.7
285.04019	1.1
291.19598	3.0
301.19604	0.5
309.20639	7.6
310.21188	0.6
327.21729	57.4
328.21991	4.1
445.20789	1.4
537.34320	0.7
545.29767	0.9
563.30762	2.1
599.95337	0.5
787.72638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78354	3.8
59.01239	12.0
61.70926	5.0
61.98698	56.8
71.01262	5.6
71.52805	4.0
83.04901	5.3
85.02829	7.8
86.48232	5.1
89.22469	3.9
96.95882	13.0
101.02350	4.6
113.02296	6.3
119.04916	33.4
121.02822	5.0
125.02372	5.5
130.26823	3.8
133.02866	5.1
133.98082	4.3
134.03575	9.9
135.04391	5.5
154.77150	4.2
163.03947	27.7
169.79372	4.3
171.10240	7.0
179.03510	5.6
188.85193	5.3
192.04138	6.7
193.04927	17.2
209.11739	100.0
210.12126	7.5
217.85762	4.3
227.12828	30.6
253.09212	9.9
254.87877	4.5
327.21762	14.7
423.96362	4.7
773.36847	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	0.2
59.44153	0.2
61.98692	0.9
71.01263	0.7
71.52711	0.2
78.95773	10.4
79.95614	2.8
84.96473	0.2
89.02333	0.4
91.47137	0.2
94.97959	0.4
96.00764	0.2
96.95887	100.0
96.96806	14.4
97.02827	0.2
97.95824	0.3
98.02351	0.8
134.88266	0.2
171.10199	0.3
183.57785	0.2
186.49040	0.2
201.11295	0.3
209.11819	0.3
235.08224	0.2
242.24820	0.2
275.20261	0.2
277.21652	0.6
293.21271	0.6
397.13367	0.6
407.17642	0.4
435.08231	0.5
453.09390	0.7
713.30566	0.6
714.30530	0.4
739.43549	0.2
773.43213	0.3
775.66559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12970	0.3
59.01232	0.4
61.98701	1.2
71.01260	1.0
73.02805	0.3
75.00755	0.3
78.95309	0.5
78.95773	8.4
79.95615	3.2
89.02274	0.4
94.97964	0.3
96.95886	100.0
96.96789	9.3
97.95845	0.6
109.11738	0.2
113.69471	0.2
118.96529	0.3
169.12224	0.4
250.77110	0.3
277.21759	0.9
281.93460	0.3
293.20920	0.3
321.12509	0.3
351.56387	0.3
391.23450	0.3
397.13461	0.4
399.71127	0.3
407.17529	0.4
415.14761	0.4
435.08099	0.5
436.89008	0.3
442.24286	0.3
453.09100	1.0
713.30255	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	773.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42238	0.4
62.68365	0.4
77.03825	0.4
77.19255	0.4
78.47274	0.3
83.01269	0.6
93.03378	0.5
97.02830	0.5
98.20589	0.8
101.63555	0.4
105.03311	0.4
107.01231	0.4
109.02829	1.6
119.04903	0.7
121.02821	1.6
121.66124	0.4
125.02338	1.8
133.01845	0.6
133.02844	11.5
134.03545	1.0
135.04396	1.7
137.02315	0.6
145.02863	0.6
147.04410	1.1
149.02341	1.4
151.00253	0.6
151.03912	0.9
157.89774	0.4
161.02345	1.3
163.00259	1.6
163.03923	3.3
165.01871	1.8
173.02394	0.7
175.03932	3.2
177.01862	1.3
190.85794	0.4
191.03461	1.8
193.01363	1.5
193.05009	0.9
197.34875	0.4
199.03951	1.2
201.01862	1.1
211.04012	0.9
211.07562	0.5
212.04634	0.6
213.05502	0.8
215.03380	0.4
225.05467	0.7
226.06108	0.4
227.03423	0.5
239.03325	0.4
240.04198	0.6
241.05121	0.9
242.39128	0.4
243.03009	0.4
253.04985	1.1
255.03014	0.8
255.06566	0.5
256.03632	0.4
269.04590	0.6
270.05402	0.5
281.04465	0.5
284.03250	9.2
285.03970	7.0
286.04477	0.5
297.00638	0.8
297.04041	14.9
298.04761	8.7
299.05576	18.5
300.05881	1.3
309.04010	0.9
311.05701	2.7
324.02875	0.6
325.03629	1.0
327.05078	100.0
328.05423	10.0
337.03580	0.4
339.05151	3.8
341.06339	0.7
357.06131	27.2
358.06522	2.1
369.05936	2.5
393.06076	0.7
411.07129	0.4
447.09293	76.1
448.09613	9.6
584.80774	0.4
633.88141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03327	2.6
59.01247	15.3
61.98701	25.2
67.06816	1.5
69.03339	2.1
71.01252	12.7
71.52271	2.1
72.99168	1.7
73.02821	2.2
74.60888	1.4
75.00733	1.6
78.95789	2.5
80.04922	1.9
83.01261	1.9
83.04882	1.6
85.02840	4.7
87.00760	5.1
88.98655	1.7
89.02324	5.5
93.03336	87.0
94.03684	2.7
95.04918	1.6
96.95882	2.7
97.02847	1.7
97.06470	5.9
99.00779	2.7
100.31865	1.4
101.02326	7.6
101.41903	1.5
113.02332	6.0
116.92764	3.3
119.03436	1.3
119.04897	8.0
120.08164	1.3
121.02847	4.8
123.08052	4.1
125.09615	20.3
130.06526	1.7
145.02885	2.1
145.04974	1.8
151.03947	1.5
161.04405	2.2
163.03934	5.0
169.12257	4.6
171.10185	5.9
175.11172	4.4
197.11768	4.1
199.13400	2.4
201.11273	4.4
207.10312	2.5
209.11774	6.8
210.12170	2.3
211.13387	4.3
213.11272	1.6
225.11278	5.3
225.14914	1.7
226.11641	3.0
227.12837	2.0
228.17583	6.4
230.15388	1.7
235.08293	2.2
236.14342	7.7
254.15459	38.5
255.15692	3.0
272.16562	38.0
309.20609	3.0
310.29834	1.4
348.19482	1.8
380.25909	5.7
398.27237	2.5
406.23853	8.2
407.23865	1.9
424.24960	37.4
425.25153	4.8
442.20468	2.8
442.25928	23.4
443.25980	3.2
500.28329	1.8
518.29352	17.0
519.29053	1.7
536.29980	6.0
593.33264	1.6
660.33911	58.3
661.34235	9.5
754.38074	100.0
755.38336	19.4
771.39972	1.5
772.40167	17.5
773.42468	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	772.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
59.01247	16.2
61.98701	35.5
65.03809	1.9
68.76308	1.3
71.01247	15.8
71.07735	2.5
72.99167	1.8
73.02821	3.0
77.09830	1.2
78.16706	1.2
80.04919	1.4
83.01261	1.9
83.04886	1.9
85.02819	6.5
87.00760	7.1
87.04427	1.4
89.02326	6.9
93.03331	93.8
95.04881	3.3
96.95898	3.3
97.06449	7.5
101.02308	8.8
109.06472	2.1
113.02318	6.2
115.53471	1.5
116.92724	4.0
117.03345	3.1
119.04890	12.1
121.02823	3.4
123.08060	4.7
125.09612	24.5
131.03551	1.4
145.02864	1.8
145.05005	2.9
163.03848	3.3
163.11198	1.7
169.12260	4.0
171.10188	9.0
172.10443	1.5
175.11191	4.4
193.05186	1.7
197.11780	3.1
201.11212	2.2
207.10158	2.3
209.11771	4.6
211.13283	2.3
225.11247	4.8
227.12810	2.4
228.13507	1.4
228.17487	5.9
230.15417	3.2
235.08156	3.2
236.14400	10.0
238.79001	1.6
253.09361	2.7
254.12769	2.8
254.15486	51.4
255.15825	4.2
272.16571	31.9
273.16791	2.3
309.20578	3.4
325.20410	1.5
341.23694	1.7
362.24561	1.8
380.26083	7.5
406.23779	9.8
406.38031	1.6
424.24899	40.8
425.25235	4.7
442.26001	24.2
443.26138	2.5
480.13205	1.6
518.28979	16.8
519.29291	3.4
536.30157	8.4
660.33856	64.7
661.34235	13.9
754.38037	100.0
755.38403	21.7
772.40918	16.7
773.42761	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	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37588	0.7
58.80838	0.7
65.00218	0.9
69.76347	1.3
69.76765	2.6
81.48434	0.7
83.01258	1.1
83.34535	0.7
92.99265	0.7
98.20515	1.7
107.01274	1.2
109.02845	1.1
121.02786	1.4
137.22189	0.8
151.00287	8.6
169.01366	0.9
171.04393	0.9
171.14447	0.7
175.00276	1.4
178.99747	2.2
199.03912	3.6
215.03523	1.7
225.01871	0.8
226.02560	1.0
227.03419	2.2
243.02910	5.0
255.02986	5.5
261.11313	0.8
271.02466	60.4
272.02899	4.1
280.76410	0.8
299.01965	100.0
300.02655	34.3
301.03500	42.2
302.03870	3.0
343.04562	1.4
348.71280	0.7
396.56577	0.7
409.23752	0.8
462.08017	13.4
463.08612	7.4
609.04773	1.7
609.14630	38.1
610.14972	5.4
771.19910	65.7
772.20129	11.7
787.26648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.6
59.01245	8.2
61.98702	18.3
63.83712	0.8
69.03331	4.6
70.72704	1.2
70.73038	1.3
71.01254	6.9
71.04887	1.8
72.99191	0.8
73.02798	2.1
82.14512	0.8
83.04890	0.8
83.24075	0.9
85.02827	2.2
87.00756	1.3
89.02316	2.7
89.87095	0.7
95.01245	1.7
96.95849	0.8
97.02820	1.5
97.06456	1.9
99.00745	1.6
101.02328	4.9
109.06468	1.4
111.08038	5.1
113.02372	1.6
119.03446	0.9
122.62596	0.7
123.08047	1.7
125.09604	2.8
145.02760	0.8
151.11169	4.1
153.12762	2.2
161.04425	2.2
161.09653	4.2
163.03882	0.8
163.11111	1.0
169.12260	3.9
171.10211	5.2
179.10712	7.6
181.12334	1.8
183.13849	1.2
185.11629	1.0
195.13876	1.0
197.11778	89.5
198.12091	5.1
199.13284	2.3
201.11247	1.6
201.33113	0.7
207.10167	3.2
209.11749	4.8
211.13354	4.4
220.06728	0.9
223.09706	1.4
225.11353	5.5
227.12708	1.5
233.00920	0.7
235.08150	1.0
241.10716	2.8
242.10863	0.8
243.12259	0.9
245.18918	0.8
253.09230	4.2
263.20193	1.0
289.18045	1.7
291.19690	3.8
307.19098	1.9
309.20749	5.3
383.07428	1.2
440.18985	0.9
459.18509	0.8
477.19885	2.2
505.93256	1.0
546.53204	0.8
689.41779	0.8
751.39648	1.6
769.40137	100.0
770.40509	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22121	0.2
59.01239	0.9
60.99176	16.6
71.01257	0.5
71.53745	0.2
72.99190	1.5
75.00751	0.4
78.32476	0.2
81.03300	0.5
81.22598	0.2
82.65903	0.2
83.04902	1.4
85.02807	0.4
86.62564	0.2
87.00764	1.9
87.01243	0.3
88.00275	5.2
88.01077	0.3
88.98676	100.0
89.02313	10.3
89.99026	0.7
90.01834	0.6
120.40034	0.2
125.02311	0.5
125.07085	0.3
133.02853	0.2
135.04424	0.2
137.02293	0.3
138.55690	0.2
167.03374	0.3
194.37943	0.2
201.11223	0.4
209.11755	0.9
210.12137	0.3
224.17633	0.4
225.15997	0.4
285.04147	0.3
439.69266	0.2
451.33124	0.3
673.46539	0.5
675.48096	1.7
677.49774	1.7
678.50220	0.6
689.46448	0.5
691.47620	1.0
707.48608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98412	0.2
70.54329	0.2
70.54666	0.1
80.96421	0.1
82.71893	0.1
101.92989	0.1
102.37612	0.1
125.02342	0.1
129.32611	0.1
161.02406	0.1
236.27803	0.1
335.12308	0.1
393.10165	0.1
547.84326	0.1
570.20459	0.1
738.02472	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
59.01252	10.4
61.98703	24.0
69.03323	4.1
69.81082	4.8
71.01245	5.7
71.04869	1.7
73.02847	1.0
75.00711	1.1
75.01089	1.0
81.05964	1.1
83.01263	1.2
83.04910	1.4
85.02831	3.0
87.00767	1.6
89.02319	1.7
96.95862	2.1
97.02805	1.3
97.06469	1.7
98.19882	1.5
101.02329	5.6
102.73814	1.0
111.08011	4.6
113.02302	2.4
114.24943	1.1
119.04876	2.3
123.08034	2.1
125.09604	2.8
127.67677	1.1
151.11145	3.2
153.09081	1.1
153.12746	1.9
161.04411	1.7
161.09564	3.0
163.03902	4.7
169.12273	2.9
171.10133	4.2
177.01987	1.1
179.10684	9.5
183.13843	1.6
197.11763	94.7
198.12189	5.5
207.10306	2.4
209.11813	6.0
211.13338	4.6
223.09727	1.7
225.11272	4.4
227.12793	1.3
235.08221	2.3
241.10742	3.0
249.14656	1.1
253.09166	5.3
288.07578	1.2
289.18222	1.4
291.19641	2.5
307.19055	2.2
309.20679	2.6
410.82013	1.3
460.48727	1.1
477.19778	3.1
567.55170	1.2
683.93103	1.1
751.39740	1.5
764.56732	1.2
769.40112	100.0
770.40430	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	765.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	18.6
61.24677	1.2
61.98713	1.8
69.03317	3.0
71.01263	3.8
76.99619	1.2
78.95760	3.1
80.96392	1.3
87.10140	1.2
89.02319	2.5
101.02301	1.7
103.47030	1.3
108.00065	1.1
112.36810	1.2
121.90114	1.3
140.01056	1.2
153.09131	2.8
161.04466	1.7
165.12746	4.7
181.12259	6.0
191.10721	10.9
209.11772	100.0
210.12105	7.7
212.89987	1.2
235.08171	2.0
253.09265	7.4
255.23273	3.5
277.21716	64.9
278.22095	4.9
293.21484	2.0
329.23441	3.0
330.23865	1.5
445.20731	14.6
446.21133	2.4
517.44678	1.4
765.39630	2.2
765.51129	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	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
60.15789	0.3
60.99176	17.2
61.98705	0.7
66.63742	0.3
71.53421	0.5
77.78789	0.3
79.37673	0.3
80.27601	0.3
87.00765	1.8
88.00279	3.3
88.98676	100.0
89.02312	17.4
89.99038	0.7
107.82188	0.3
109.97380	0.4
122.76404	0.3
160.74393	0.3
172.44724	0.3
279.23257	0.9
304.36047	0.4
314.93869	0.4
397.13452	1.1
463.55777	0.4
592.62744	0.4
688.88824	0.4
707.38654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.4
60.99175	17.9
61.98701	0.8
71.01257	0.5
72.99163	0.2
82.29281	0.2
82.65894	0.2
85.02836	0.3
87.00745	1.7
88.00280	3.1
88.01093	0.4
88.98676	100.0
89.02312	13.9
89.81297	0.2
89.99014	1.0
98.20606	0.4
101.02314	0.3
101.50179	0.2
115.47578	0.2
121.12698	0.2
128.36617	0.2
145.87006	0.2
165.45222	0.2
207.10149	0.3
243.44382	0.3
246.83810	0.2
277.21753	1.0
341.15033	0.3
397.13428	1.2
415.14627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.6
57.03317	4.2
59.01251	41.2
60.99170	10.5
61.98702	56.9
69.19100	25.4
71.01247	35.2
72.99178	7.7
73.02839	6.6
75.00751	8.9
81.03304	4.1
83.01273	9.3
85.02832	6.4
87.00759	14.1
88.00260	4.4
88.98677	64.3
89.02313	30.2
95.01273	3.9
95.04893	4.9
97.02831	10.1
97.06486	5.3
99.00755	3.2
101.02323	32.1
112.03216	2.5
113.02335	13.3
116.90323	2.7
119.03408	9.8
119.04897	16.9
121.02881	3.5
123.04392	3.6
125.02345	12.1
125.09607	6.9
137.09616	4.9
143.03419	5.5
145.02827	3.4
154.64574	2.7
157.18059	3.6
161.04491	6.6
163.03912	12.2
163.11200	10.5
164.08426	3.3
171.10168	3.4
179.05551	9.8
185.11771	9.7
191.10754	3.5
191.14294	5.9
207.10181	7.8
209.11765	35.8
211.13316	10.4
225.11185	3.8
227.12865	4.4
235.08205	8.0
245.19119	16.4
253.09328	4.3
263.20047	4.3
271.17233	4.4
289.18115	69.1
290.18402	4.0
307.19141	100.0
308.19519	6.9
344.10440	2.8
397.13452	55.1
398.13574	4.0
415.14462	46.7
416.14471	4.4
607.26117	5.7
705.33447	8.9
707.93439	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
60.99177	18.7
61.98694	0.6
61.99526	0.2
66.44627	0.2
71.01263	0.6
77.38599	0.2
87.00755	3.8
87.79691	0.2
88.00282	4.4
88.01112	0.6
88.98679	100.0
89.02316	29.7
89.39254	0.2
89.99022	1.2
90.02654	0.4
93.52356	0.2
98.20587	0.3
101.02334	0.4
125.02381	0.2
135.21220	0.2
235.08258	0.4
277.21625	1.3
309.16446	0.2
397.13434	1.8
415.14468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55430	1.0
55.56629	1.1
56.90300	1.0
59.01241	4.6
61.98700	4.2
69.03008	1.6
69.03331	18.4
69.63300	4.8
69.63708	2.0
71.01244	4.2
72.95344	1.1
72.99172	1.1
73.02834	1.5
75.00774	1.5
83.01285	1.1
85.02814	2.3
93.03324	1.6
95.01263	4.2
96.20031	1.0
96.95863	1.7
97.02825	57.1
98.03156	1.4
99.00743	2.3
101.02321	2.4
105.64612	1.1
108.02058	1.5
110.39877	1.0
117.03365	1.3
121.02849	19.4
123.00769	4.8
123.04379	3.3
133.02853	2.2
134.03601	3.9
135.04414	4.6
137.02292	1.5
141.01834	14.7
145.02875	2.0
147.04378	4.0
149.02354	43.6
149.05919	1.9
150.02736	1.9
151.03802	1.3
152.01045	1.7
159.02875	2.8
161.02316	4.1
161.57207	1.1
162.06789	1.1
163.03906	3.9
164.04703	29.4
165.05119	1.5
171.61024	1.1
175.03937	1.4
177.05515	1.8
179.06950	3.0
183.49336	1.0
185.00835	13.7
191.07097	1.4
192.07867	2.1
193.01352	7.0
193.04988	2.7
194.05841	1.7
203.01862	2.9
205.04953	1.4
208.03683	13.1
223.06061	75.7
224.06371	5.9
225.05437	1.7
225.09227	1.3
227.07059	1.2
237.05565	1.3
237.07622	1.7
239.07086	3.7
240.04228	1.1
241.05029	1.9
241.08722	1.7
253.08702	1.6
254.05846	2.5
255.06624	7.0
255.09399	0.9
256.06992	1.5
257.04419	1.4
261.11282	2.8
267.06613	16.2
268.07343	5.5
269.08157	26.0
270.08582	2.0
279.06461	1.3
280.07455	5.5
281.08109	9.8
282.08942	3.4
283.09702	14.0
284.10379	4.9
285.03986	1.8
294.08844	1.5
295.06595	1.4
295.09680	7.7
296.10410	4.9
297.11304	3.6
298.11774	1.4
299.09311	1.5
299.12573	1.6
303.08539	1.4
311.09238	21.3
312.09695	4.1
324.09756	2.1
325.07303	1.5
325.10651	2.3
328.09503	10.7
340.09479	32.5
341.09973	5.8
342.11035	8.2
343.11844	100.0
344.12225	11.5
355.11862	70.7
356.12161	6.9
373.12927	22.5
374.13211	2.4
374.43219	1.5
409.07806	5.4
420.53302	1.3
423.14511	19.2
424.14929	2.5
425.15875	1.3
435.14453	12.4
436.14902	2.3
453.15530	2.6
497.14801	1.6
517.30286	1.4
559.14532	12.4
559.31012	2.7
765.20941	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	765.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29270	1.9
57.03328	10.5
59.01250	3.2
61.98691	2.2
65.00194	5.1
71.01247	6.4
71.53450	1.8
71.53896	2.5
72.99171	2.0
83.01249	11.5
84.02051	2.4
85.02824	81.8
87.00732	2.3
89.00186	2.7
93.03326	3.7
95.01262	6.2
96.95838	1.9
97.02835	5.1
105.20992	1.6
106.00488	3.6
107.04940	2.5
109.02847	3.4
109.99974	6.5
111.00773	23.6
113.02328	2.3
117.03351	5.2
119.04922	22.3
120.99535	6.2
121.02843	24.7
123.00766	14.8
123.04405	4.0
125.02316	6.2
126.35816	1.7
127.00278	3.7
128.01062	2.7
129.01837	57.8
133.02823	6.9
134.03642	1.8
135.04379	3.9
137.02356	6.8
137.99481	6.8
138.03127	6.0
139.00243	9.9
142.36322	2.0
145.02849	23.8
147.02888	5.5
147.04329	2.9
149.02376	2.3
151.03877	3.0
153.01848	14.0
153.05467	14.4
154.02542	2.7
154.99716	4.6
159.04391	2.1
161.02327	5.7
163.03889	13.3
166.99794	11.9
169.01297	3.5
173.00830	12.1
173.05920	2.1
175.03845	2.1
177.01878	4.3
179.03415	3.1
182.02119	24.6
182.99379	2.3
185.05981	2.7
186.06979	1.9
187.07603	6.8
191.01897	6.6
193.01208	2.0
195.02968	1.9
196.03687	5.1
197.00845	5.6
197.04480	100.0
198.01634	7.1
198.04820	6.8
201.05612	2.7
203.07068	11.2
226.06314	20.1
231.06595	6.2
237.07823	2.1
241.08662	23.0
257.04556	3.7
265.07257	4.6
298.26154	1.8
309.06137	2.9
327.07315	2.8
371.06091	7.7
389.07242	5.0
706.20581	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	764.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.2
61.88791	0.2
61.98703	100.0
70.01744	0.4
71.01236	0.3
72.99173	0.3
75.00751	2.0
80.09540	0.2
84.86532	0.2
87.53798	0.2
88.98682	0.4
91.18575	0.2
100.31958	0.2
118.85846	0.3
119.04882	0.2
163.03934	0.2
171.10184	0.2
195.99341	0.2
197.11792	0.2
209.11798	0.5
211.13362	1.0
227.06770	0.2
765.39008	0.3
768.28363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69677	0.2
59.01248	0.4
61.98711	1.5
70.19531	0.2
70.19862	0.8
71.01260	0.3
83.01238	0.3
87.00755	0.4
93.03337	1.1
98.19912	0.3
117.03345	9.0
117.63615	0.2
118.03650	0.3
119.04913	100.0
120.05241	3.7
120.27779	0.2
121.02843	2.8
122.03152	0.4
123.04412	0.4
125.02392	0.5
133.02869	0.3
133.06451	0.4
135.55176	0.2
137.02335	0.9
145.02852	27.5
146.03185	1.3
149.02319	0.4
151.00272	0.8
151.03903	0.3
161.02299	0.3
161.05954	0.4
162.03110	1.3
163.03912	66.1
164.04239	3.1
165.01863	1.8
166.02591	1.3
171.10240	0.4
177.01817	1.8
177.05495	0.7
178.02544	0.4
179.03340	0.4
180.04181	1.3
181.04987	1.8
192.04265	1.1
193.04982	0.7
194.05768	0.2
195.02881	0.4
195.06592	1.4
205.04973	0.7
207.04655	0.2
207.06580	1.0
209.11760	0.6
210.05298	0.6
225.07617	1.4
246.63571	0.2
285.03979	0.7
312.09653	0.3
327.12335	0.5
341.10162	0.5
371.11417	2.3
372.11664	0.3
388.11411	0.3
389.12381	5.3
390.12524	0.7
419.32385	0.2
431.07852	0.3
487.71442	0.3
597.19727	9.4
598.20013	1.9
615.20856	3.4
616.20917	0.5
761.24487	11.0
762.24982	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	6.4
61.98695	15.4
70.01527	20.3
71.01249	12.0
72.99178	5.0
83.04922	7.5
85.02814	8.1
87.00773	5.0
89.02324	7.3
96.95886	12.9
98.20413	6.7
101.02293	5.7
113.02340	6.0
119.04913	5.5
125.02335	14.3
135.04404	6.9
137.02322	7.4
147.25795	4.2
148.21989	4.7
151.03891	4.9
163.04083	4.5
167.03368	6.0
175.03931	8.9
184.79173	4.5
200.44980	4.8
201.11246	20.1
209.11781	100.0
210.12070	5.5
216.79260	5.5
227.12848	26.8
235.08211	8.4
253.09238	9.2
285.04065	5.0
289.07159	6.0
440.87347	5.0
445.20728	17.4
461.36462	5.1
606.78711	5.1
621.13354	7.9
656.86432	4.8
750.41010	5.1
759.17621	9.9
759.35376	24.2
760.34534	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	759.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95060	0.7
59.01244	2.0
61.98707	3.9
66.82099	0.7
71.01234	0.9
71.52843	0.7
74.09636	0.7
93.03355	3.5
95.01922	0.6
117.03351	48.3
118.03608	1.7
119.04917	100.0
120.05221	3.5
121.02844	30.6
123.00771	1.5
123.04394	7.8
125.02341	1.0
132.05693	2.9
133.02856	6.4
133.06514	4.1
134.03609	5.0
135.04454	1.8
137.02361	2.0
138.03123	1.0
139.00247	1.2
145.02853	62.2
145.06526	1.1
146.03229	2.4
147.04404	0.8
149.02321	2.6
149.34692	0.7
150.03214	1.0
151.00279	5.8
151.03894	1.2
153.01743	0.9
153.05525	0.9
158.16089	0.8
160.05170	0.9
161.05986	11.0
162.01108	0.8
162.03136	38.0
163.03920	99.4
164.04286	4.1
165.01875	1.9
166.02620	12.9
175.03947	1.2
177.01872	4.9
177.05437	1.5
178.02501	1.4
179.03358	2.3
180.04263	2.0
181.04982	18.9
182.05319	1.0
192.04181	2.4
193.01439	1.0
193.04947	3.1
195.03096	1.1
195.06615	2.8
201.69667	0.7
205.05029	10.4
207.06589	2.5
208.03720	1.3
209.11797	2.2
211.07607	0.9
211.13385	1.6
223.06075	3.6
225.07620	1.8
270.09033	1.6
281.04749	0.8
294.09039	1.5
308.59201	0.9
310.08502	1.0
325.10782	2.2
341.10281	2.1
369.09778	20.6
370.10043	2.6
388.11633	5.1
389.12369	2.8
431.13370	7.0
449.14432	3.9
467.15350	0.9
583.18060	0.8
595.18188	25.2
596.18439	4.6
613.19244	14.4
614.19440	2.2
759.22864	15.0
759.35022	1.4
760.23108	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
59.01249	33.1
60.58306	0.6
61.98705	2.6
69.03332	0.6
69.41738	3.3
69.42156	1.6
69.63449	0.6
71.01256	5.8
71.04900	1.1
73.02790	1.8
73.92460	0.7
78.94353	0.6
78.95770	0.8
85.02829	1.9
87.00758	1.8
89.02319	3.0
97.02828	1.2
97.06487	1.5
99.00755	4.3
101.02339	4.0
102.76324	0.7
109.87644	0.7
113.02319	2.9
123.08066	0.9
125.09621	4.2
127.11183	2.8
137.09534	0.7
145.04906	1.2
155.10680	1.4
161.04478	1.9
163.11203	3.7
165.09067	1.2
171.10173	2.8
181.12273	7.1
183.10173	1.5
197.11798	0.7
199.09712	0.7
199.13327	8.0
201.11252	44.6
202.11577	1.7
207.10194	7.9
217.14343	1.7
225.11256	20.3
226.11668	1.4
233.22829	0.7
235.08199	6.2
243.12389	5.6
253.09248	6.1
257.45895	0.7
277.21713	85.7
278.22058	6.9
443.19388	0.7
447.52353	0.7
461.20862	0.8
513.30865	1.0
721.41553	6.7
722.41693	0.8
739.42529	8.4
740.43005	1.2
757.43719	100.0
758.44104	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.6
61.98690	5.7
69.40270	1.7
69.40668	6.6
71.01252	100.0
73.02804	2.3
73.57067	1.1
78.95773	4.7
83.04880	1.5
85.02823	2.7
87.00753	2.0
89.02316	3.3
93.94462	1.4
101.02322	4.5
106.03125	1.1
109.06481	4.1
113.02323	2.1
125.09628	2.2
127.11150	2.3
145.05016	1.6
152.99466	3.1
161.04431	2.7
163.11165	2.2
171.10173	72.1
172.10513	3.7
197.11774	1.5
199.09682	7.7
199.13367	1.9
201.11269	13.5
207.10204	10.0
215.12781	3.2
225.11256	9.5
235.08238	4.9
240.88455	1.2
243.12271	1.3
253.09283	8.3
254.09700	1.5
259.34698	1.1
273.65527	1.2
276.92245	1.0
277.21707	95.5
278.22101	11.1
279.22363	1.9
302.96573	1.2
318.99292	1.1
461.20340	2.7
482.84717	1.5
519.87610	1.2
551.34302	1.4
721.41541	2.8
739.43140	2.5
757.43542	13.8
758.44739	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.2
58.02246	0.5
59.01250	29.8
61.98706	2.5
69.03327	0.5
69.81931	2.6
71.01256	5.2
72.98238	0.5
73.02808	1.9
73.87159	0.5
74.31154	0.6
78.95772	2.5
80.38390	0.4
83.01247	0.8
83.04892	0.9
85.02824	1.2
87.00774	0.6
89.02312	3.9
97.02834	1.6
97.06427	0.7
99.00761	4.8
101.02321	4.3
113.02316	1.6
116.71007	0.6
119.03374	1.4
123.08038	0.8
125.09619	5.4
127.11189	5.7
139.11186	0.8
152.99489	1.5
155.10667	2.3
156.11276	0.5
161.04463	1.7
163.11200	2.8
165.09142	1.8
171.10182	4.0
177.95003	0.5
179.05519	1.0
181.12230	6.7
183.10225	1.5
199.09630	1.6
199.13322	10.4
200.13663	0.6
201.11252	83.5
202.11618	4.4
207.10197	9.9
209.11459	0.8
215.12839	1.1
217.14417	2.8
225.11273	27.7
225.58952	0.5
226.11688	1.7
235.08182	1.1
241.24716	0.5
243.12331	8.3
244.12585	0.7
253.09225	8.3
254.09720	0.7
277.21716	44.3
278.22083	3.1
310.80099	0.6
437.20215	1.7
461.20200	7.8
462.20618	0.9
479.21625	1.3
497.22174	1.4
569.89569	0.7
609.38416	0.6
712.51147	0.6
721.42096	5.2
722.42053	1.0
739.42712	8.6
740.43158	2.1
757.43781	100.0
758.44080	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	757.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71909	9.0
61.98692	30.1
65.39635	10.3
71.01210	12.1
71.52448	13.1
78.95788	12.0
118.77746	10.3
199.13316	24.9
209.11815	33.6
225.11264	30.1
240.64326	10.4
255.23212	15.7
277.21738	100.0
278.22073	10.5
572.83386	14.1
682.67230	11.0
757.39789	33.9
758.39606	22.4
770.50879	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	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01241	1.7
54.49489	1.4
59.01235	4.9
61.98702	27.3
71.01234	3.6
78.95760	2.1
85.02815	4.5
85.40387	1.3
89.28557	1.5
96.95866	3.6
98.19733	2.8
113.02312	1.5
114.16995	1.5
119.04874	2.1
125.02334	2.7
137.02257	1.8
146.35049	1.5
149.02269	1.6
149.05974	6.1
150.05632	2.9
150.06766	44.9
152.63028	1.7
153.25334	1.9
163.03909	2.1
163.07549	13.9
164.08286	6.7
171.10280	1.9
176.08383	2.2
177.01825	1.6
178.09760	1.9
179.03278	2.0
179.10699	11.0
209.11830	2.7
329.23172	4.4
448.31808	11.6
463.34296	10.7
464.34009	1.9
490.32574	2.7
491.33514	2.2
508.34134	3.5
509.34811	22.1
510.35373	4.2
519.11682	2.1
630.48486	1.9
713.41156	100.0
714.41571	23.7
757.33185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.8
61.98689	4.9
68.51940	1.4
70.47182	1.5
71.01263	6.7
71.53494	1.7
72.99166	2.3
75.00766	2.0
82.00999	1.4
85.02801	2.7
87.00759	15.1
89.02303	4.0
101.02300	3.1
101.75148	1.4
113.02335	2.2
152.99484	2.9
153.12804	1.3
156.44777	1.4
161.04424	2.5
169.12355	1.8
171.10165	13.3
179.02100	1.6
197.11749	13.7
199.09662	1.9
209.11768	2.1
213.11252	2.0
215.12834	100.0
216.13200	4.1
235.08170	4.1
253.09293	10.8
277.21704	62.9
278.22101	4.8
312.22092	1.4
370.81073	1.5
451.21948	6.6
643.28918	1.7
667.13788	1.7
737.41260	5.0
755.42194	28.8
756.43042	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	755.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.4
61.98698	6.4
70.02573	2.1
71.01236	3.5
73.64491	1.0
78.95769	1.9
87.00739	6.6
88.00279	1.5
89.02320	1.8
96.10401	1.0
98.19868	1.4
101.02341	2.8
101.72284	1.1
113.02325	1.5
121.42786	1.0
127.11150	1.3
179.57318	1.0
181.12283	2.8
188.22153	1.0
197.11748	1.0
199.13326	100.0
200.13734	5.8
215.86185	1.0
235.08121	5.2
253.09253	13.3
255.23227	2.3
259.15543	5.3
277.21710	89.9
278.07785	1.1
278.22055	8.5
333.12216	1.1
398.06937	1.1
435.22321	3.0
459.34851	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80944	0.7
59.01250	8.9
61.98686	1.5
70.96399	0.7
71.01247	2.8
78.95752	1.4
85.02839	0.9
87.00768	1.1
89.02298	1.7
98.19772	2.4
101.02316	2.3
113.02345	1.2
151.11191	2.3
153.35170	0.8
161.04485	1.1
169.12251	59.8
170.12584	3.3
171.10187	13.6
229.51013	0.9
235.08174	2.6
253.09250	5.8
263.15332	0.9
277.21713	100.0
278.22089	8.4
405.21613	1.8
419.09610	0.8
452.06393	0.8
488.79962	0.8
504.76044	0.8
513.30792	4.3
691.41382	1.2
709.41461	13.4
710.42047	2.4
727.42609	11.3
728.43018	2.4
755.41669	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03330	0.4
58.00479	0.5
59.01249	4.0
61.98701	3.1
69.03309	0.6
70.43864	0.6
71.01254	3.6
73.02821	0.6
79.95615	0.3
80.02554	0.8
80.96388	0.3
81.03323	1.1
83.01250	0.3
83.04905	3.9
84.02046	0.4
85.02823	1.0
86.06644	0.3
87.00763	0.8
89.02329	2.3
95.01283	0.3
95.04884	0.6
96.95911	0.3
97.02836	0.5
97.06467	0.5
101.02328	3.5
109.06467	0.6
111.08040	5.1
113.02338	2.0
115.89181	0.3
119.03395	0.6
125.02302	0.3
125.05984	0.5
125.09576	0.6
131.43376	0.3
133.04993	0.3
135.08064	1.0
139.95908	0.3
143.03395	0.6
151.11131	0.4
153.12714	0.3
161.04454	1.4
163.11188	4.1
165.12746	2.2
169.12242	2.0
171.10175	2.1
179.05492	0.5
179.10655	0.3
181.12242	1.3
183.13902	0.3
185.11743	0.3
186.82124	0.3
191.10713	0.8
197.11768	24.8
198.12071	1.4
199.13301	1.9
201.11237	0.6
203.98134	0.2
207.10239	0.6
209.11768	100.0
210.12122	5.8
211.13338	5.5
212.13667	0.4
225.11263	0.8
227.12830	11.0
228.13228	0.6
235.08188	3.8
247.20645	0.4
251.16457	0.7
253.09264	13.1
254.09743	0.4
263.20163	1.0
265.18149	0.7
273.18558	0.6
275.20041	0.3
291.19659	10.1
292.19952	0.6
293.21310	1.2
309.20706	32.9
310.21051	2.9
325.20203	0.5
388.62936	0.3
445.20935	0.8
535.39093	0.3
545.29907	0.4
679.06799	0.3
711.40723	0.3
737.41840	0.4
755.42499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
59.01248	2.5
61.98701	34.0
62.91580	1.4
66.39798	1.4
68.23527	1.4
68.97947	1.6
71.01247	4.9
72.95203	1.4
80.96393	6.3
83.01231	1.5
85.02821	1.9
90.81945	1.5
94.97906	1.4
96.95895	8.4
97.02866	1.9
101.02329	1.9
105.94670	1.8
113.02312	1.6
119.04898	1.5
125.02374	1.6
149.06009	7.1
150.06767	42.6
151.07219	2.1
162.06918	1.6
163.03870	2.1
163.07550	10.7
164.08351	6.3
171.10155	2.7
176.08467	2.1
178.09950	4.2
179.10709	13.2
209.11742	24.6
227.12938	2.8
229.31639	2.4
231.09985	3.4
249.10991	2.2
266.13913	1.5
325.23984	2.3
327.21713	6.4
446.30215	11.0
461.32617	10.1
472.13522	1.6
488.31299	2.1
489.32581	2.5
506.32312	3.3
507.33096	19.0
508.33362	2.5
603.92041	1.8
711.39569	100.0
712.40082	18.3
755.32056	5.2
756.31628	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	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10412	0.8
59.01243	9.6
61.98696	1.2
69.31525	0.9
70.86446	1.0
71.01266	1.8
76.64119	0.9
78.03234	1.0
78.95777	1.5
89.02317	2.2
90.03931	0.8
101.02329	3.3
109.22855	0.9
113.02325	1.5
122.39967	0.8
125.63770	0.9
127.67769	0.8
151.11194	2.6
161.04466	1.6
169.12253	100.0
170.12599	4.4
171.10167	23.2
213.11317	1.9
235.08200	5.0
253.09198	6.0
277.21701	66.8
278.22006	4.9
405.21240	7.9
406.21631	1.3
407.19684	1.0
431.19250	1.9
449.20392	2.3
509.48343	1.1
513.30249	1.4
709.41711	12.9
710.41998	2.1
727.42651	12.8
728.42828	2.2
755.41290	4.7
756.42499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2041
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
53.65715	0.4
55.55581	0.5
63.18694	0.5
65.00192	0.9
65.91647	0.4
70.04798	0.4
70.86755	1.0
71.01202	0.5
83.01241	0.7
93.03380	0.5
96.95918	1.1
107.01279	2.4
108.02062	1.7
109.02857	0.7
121.02806	0.6
121.86911	0.4
125.02316	1.0
135.00743	0.5
148.01547	1.9
151.00276	4.4
152.01080	0.4
163.00269	0.9
164.01077	0.5
169.01335	0.6
177.01843	0.8
178.99776	3.6
187.05614	0.4
198.03290	0.5
199.03909	1.3
211.03897	0.5
215.03409	1.2
226.02591	1.5
227.03464	4.0
228.03860	0.5
229.01437	0.4
243.02972	13.5
244.03384	1.2
254.02179	2.3
255.02966	31.4
256.03317	2.2
257.98907	0.4
261.48206	0.4
271.02466	62.0
272.02921	6.9
299.01984	3.4
300.02734	100.0
301.03268	12.6
301.08627	0.5
302.03918	0.7
342.61319	0.4
489.10339	0.7
550.04761	0.5
755.20361	63.4
756.20740	12.8
756.34210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03312	2.2
59.01247	9.4
60.47006	0.5
61.98706	1.3
65.00188	0.7
69.03312	2.8
71.01248	9.6
71.53426	0.7
72.99172	0.7
73.02811	2.0
75.00751	2.2
75.61940	0.6
78.06767	0.5
82.06161	0.5
83.01259	1.6
85.02815	9.5
87.00764	1.2
88.12130	0.6
89.02331	2.7
91.01755	1.5
91.05422	0.8
93.03348	2.2
96.95901	0.6
97.02825	1.5
97.67474	0.5
99.00758	1.4
101.02314	7.0
109.02838	0.8
113.02361	2.6
117.03294	0.6
119.01308	4.2
119.03381	1.2
119.04906	1.2
121.02849	9.6
123.08079	1.1
124.01586	1.2
125.02342	2.1
129.01811	1.0
132.02040	0.8
134.03635	1.0
134.71291	0.6
135.04425	3.3
137.02330	1.5
139.03842	0.7
143.03398	1.7
145.02881	0.8
147.00795	4.0
147.03328	0.5
147.04379	3.5
149.02338	53.6
150.02812	2.3
151.03909	1.4
152.01064	1.1
153.01872	0.6
161.02341	1.5
161.04448	1.4
163.03868	1.6
163.11203	1.5
164.04694	45.5
165.01831	2.0
165.05119	2.1
175.00281	31.9
176.00780	1.9
177.01833	1.6
179.03302	0.7
179.07033	5.0
185.00844	2.1
189.12744	1.8
190.02631	85.4
191.03175	4.6
193.01270	0.8
195.06540	0.6
197.04453	0.9
205.04991	100.0
206.05296	5.5
207.13835	1.5
208.03687	2.8
209.04550	1.1
223.06058	65.3
224.06380	3.4
256.24982	0.7
265.07233	0.8
285.03986	1.1
296.58478	0.6
375.06937	0.7
386.59274	0.6
475.06622	0.7
495.91489	0.7
549.25525	1.1
575.24805	1.2
593.12170	0.7
593.26044	3.8
754.61102	0.6
755.31268	66.7
756.31665	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	754.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93734	0.2
57.03308	0.2
59.01242	0.5
61.98702	100.0
62.98420	0.3
66.23862	0.2
71.01252	0.5
71.53008	0.3
71.55913	0.2
79.95621	0.7
80.96384	2.1
85.02831	0.2
94.97958	0.4
96.95902	0.8
100.06588	0.2
112.79413	0.2
119.04953	0.4
125.02337	0.4
140.79205	0.2
161.04529	0.2
163.03976	0.4
171.10226	0.2
197.11720	0.3
198.27824	0.2
209.11798	1.5
214.87831	0.2
224.42398	0.2
225.00777	0.8
226.11723	0.2
253.09355	0.3
289.18488	0.2
291.19751	0.3
300.81891	0.2
405.37399	0.2
754.33813	2.5
755.33911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88946	0.2
59.01234	0.5
59.27249	0.2
61.98702	100.0
63.99126	0.3
71.01283	0.5
71.53018	0.3
80.96390	1.7
94.97964	0.4
96.95904	1.2
101.02370	0.2
119.04906	0.6
121.02837	0.4
163.03845	0.3
171.10246	0.2
202.88260	0.2
209.11781	1.4
224.12471	0.3
225.00677	0.4
227.13002	0.3
237.11293	0.2
251.03641	0.3
357.09805	0.4
393.56720	0.3
754.22009	0.3
754.33356	1.3
755.33887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98701	100.0
62.98399	0.2
71.01254	0.2
71.52911	0.1
72.98275	0.1
73.02836	0.1
79.95607	0.2
80.96376	0.5
88.36037	0.1
94.97960	0.2
96.95920	0.1
101.02323	0.1
112.81231	0.1
136.01620	0.1
146.21370	0.1
163.97990	0.1
171.10147	0.2
207.10310	0.1
209.11748	1.3
211.13335	0.1
219.72606	0.1
222.14951	0.2
225.00879	0.1
225.11369	0.2
227.12759	0.1
253.09271	0.2
327.21948	0.1
330.82074	0.1
358.09366	0.1
754.34668	0.7
755.34106	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	753.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.5
61.98703	9.0
69.03336	0.6
70.66852	0.3
71.01236	0.5
71.53667	0.3
72.99176	3.6
74.02351	0.4
75.00746	100.0
76.00258	0.3
76.01096	1.2
81.03341	1.1
81.16256	0.3
83.04896	3.5
85.02802	0.3
93.03362	0.6
97.02840	0.3
125.02361	0.4
125.07122	0.4
126.05560	0.4
135.04451	0.4
137.02327	0.7
149.02330	0.4
175.03983	0.4
185.00819	0.4
203.10895	0.3
224.17696	0.6
225.16014	1.7
336.45465	0.3
450.34250	0.9
451.33423	0.5
559.39746	0.5
675.47882	2.3
677.49768	5.8
678.49872	1.4
693.49164	20.9
694.49512	4.1
753.51318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
59.01248	13.5
61.98431	1.1
61.98706	15.6
65.74531	0.9
69.03328	5.3
71.01250	14.0
71.04880	3.0
71.19673	1.7
72.99168	1.1
73.02806	2.2
75.00745	22.8
76.01066	2.1
77.01142	2.1
81.03319	2.3
83.01242	2.6
83.04881	5.5
84.02054	1.0
84.96581	1.1
85.02804	2.2
87.00751	2.0
89.02318	5.1
95.01289	1.4
95.04904	1.1
96.95918	1.4
97.02819	1.8
97.06456	2.9
101.02324	8.2
109.06449	3.6
111.08022	1.2
112.24982	1.0
113.02307	4.2
113.05918	0.9
121.10072	1.8
123.04414	1.1
123.08039	2.4
125.09571	4.0
125.47644	1.1
136.64810	1.1
137.09575	1.6
149.09531	1.3
151.11177	4.2
153.12698	2.1
161.04428	3.2
161.09630	3.8
163.03870	1.0
163.11208	5.6
164.11543	1.1
165.12747	3.2
171.10181	8.3
179.10703	7.7
181.12233	3.8
183.13872	1.8
185.11751	2.2
191.10614	1.8
191.14355	2.1
195.10246	1.4
195.13837	3.4
197.11763	84.7
198.12164	4.9
199.13358	1.4
207.10226	7.3
209.11761	91.0
210.12077	6.9
211.13306	6.3
223.09691	1.2
223.13280	3.1
225.09230	1.5
225.11252	15.8
227.12854	15.4
235.08160	3.9
241.10809	3.0
245.19044	4.4
247.20753	1.1
253.09282	14.4
263.20160	4.2
271.16922	1.4
275.20166	3.1
289.18082	18.9
290.18326	1.5
291.19644	8.3
291.22522	1.2
293.21201	10.7
307.19162	20.0
308.19437	2.2
309.20779	3.3
384.97675	1.1
388.88434	1.0
445.20618	2.0
461.20340	2.9
477.20099	2.5
543.27844	1.3
735.39874	2.7
753.40601	100.0
754.41010	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01257	3.1
61.98689	0.6
62.42474	0.4
67.20773	0.4
69.03319	0.7
71.01254	5.7
71.53056	0.5
72.99178	0.6
73.02812	0.6
83.01259	1.5
85.02822	3.7
87.00750	1.4
87.03822	0.4
89.02307	1.1
91.01746	0.5
95.01278	0.6
97.02812	0.6
99.00761	1.5
101.02324	6.2
109.02840	1.4
111.00761	1.1
113.02319	6.2
114.43602	0.4
115.00285	0.7
121.02765	0.5
123.04442	1.0
125.02349	1.4
129.01851	1.1
131.03391	1.9
133.02898	0.5
134.03691	0.7
137.02336	1.1
143.03423	2.0
145.02873	1.7
146.03607	1.5
147.04425	0.4
148.01518	0.4
149.06068	0.5
151.03831	0.6
158.03685	1.0
159.04430	1.6
160.01547	0.6
161.02338	1.1
161.04474	2.8
161.05774	0.5
163.03870	0.5
173.04442	0.9
175.03990	0.6
177.01877	0.8
179.03400	0.7
180.21091	0.4
185.05971	0.8
187.02495	0.5
190.65186	0.4
193.05002	1.0
195.04480	1.1
197.06084	0.5
203.05537	2.3
211.03857	0.4
212.04698	0.7
213.05531	8.2
220.93509	0.5
223.03931	1.0
223.05972	0.4
224.04642	1.1
240.04355	0.5
241.05023	42.5
242.05383	2.7
245.06621	1.4
249.78206	0.5
256.07397	31.2
257.07776	2.4
266.05847	1.4
267.06671	0.8
269.08176	0.8
271.09747	100.0
272.07172	0.6
272.10092	8.6
277.05280	0.6
280.07233	0.6
281.08176	2.1
282.08813	1.1
283.09839	0.7
284.10538	0.6
287.09167	0.7
289.07047	0.7
293.08069	0.7
295.06155	2.2
297.11346	0.7
302.49982	0.5
310.08481	2.2
323.09833	6.7
324.10083	0.8
325.10809	3.6
326.11215	0.8
351.08652	1.2
369.09747	9.7
370.09927	1.0
387.10895	2.7
421.10144	2.0
513.15796	0.5
531.15155	0.8
534.26123	0.4
649.20758	0.5
693.20319	9.5
694.20685	1.2
753.27716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	9.2
61.98702	100.0
63.33354	1.1
68.35351	1.0
71.01263	6.3
75.00751	6.5
75.27527	0.9
80.96384	1.5
81.79321	1.2
85.02838	2.6
86.53968	1.1
87.00740	1.5
89.02321	4.9
93.03422	1.0
98.20567	2.1
101.02328	5.3
113.02328	2.3
119.03390	2.1
119.04931	2.0
119.96719	1.0
125.02335	1.7
125.26900	1.0
127.38899	1.1
143.03441	1.1
163.04002	1.2
185.75667	1.2
209.11772	4.7
211.13361	4.4
235.16968	6.1
253.09273	1.4
275.20105	9.7
276.20569	1.2
289.25174	1.2
293.21243	21.1
294.21652	2.0
397.13464	18.8
398.13361	1.1
415.14581	8.9
751.34570	1.4
752.35773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.2
59.01236	1.7
61.76036	0.8
65.00184	0.8
69.34467	6.5
69.88240	1.0
77.08524	0.9
85.02844	1.2
86.97267	1.0
99.04393	7.7
100.66550	0.9
101.02331	1.6
104.71339	0.9
109.02843	2.6
119.04883	1.1
121.02844	1.7
125.02332	2.9
133.02855	10.5
135.04308	1.1
137.02312	1.0
149.02341	1.5
161.02359	2.0
161.04440	5.6
163.00233	1.2
163.03914	2.5
165.01898	1.5
175.03891	3.5
177.01872	1.1
191.03429	1.3
193.01312	2.0
209.02682	0.8
241.05202	1.2
253.04982	1.3
255.02585	1.2
269.04492	2.3
284.03281	8.4
285.04056	10.7
297.04028	17.6
298.04800	24.4
299.05591	17.3
300.05838	1.3
309.03961	2.7
311.05627	3.1
324.02811	1.0
325.03564	3.0
327.05090	100.0
328.05344	9.3
339.04968	4.6
341.06635	2.3
357.06155	47.8
358.06396	4.7
365.06470	1.5
369.06210	5.7
377.19669	1.2
393.06143	6.1
411.07278	4.3
429.08249	4.8
447.09399	12.3
448.09439	1.4
489.10388	37.0
490.10602	4.0
519.11444	21.8
520.11749	2.9
529.13574	2.3
531.11322	3.7
555.11243	1.9
573.12317	4.7
591.13531	9.0
609.14435	9.2
610.14832	2.8
651.15533	4.6
691.18286	1.3
753.18860	9.9
754.18909	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	751.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57196	1.1
57.03312	1.8
58.00467	1.7
59.01249	9.2
61.98700	49.9
69.86639	1.1
70.02850	22.7
71.01257	11.5
71.53062	1.5
75.00745	2.4
78.95812	1.2
79.60300	1.1
80.04926	2.6
80.96388	3.5
83.01270	2.3
83.04897	1.2
85.02837	4.7
87.00735	3.3
89.02345	3.2
95.01219	1.5
96.00790	6.3
96.95879	1.9
97.06448	2.9
101.02324	6.8
113.02319	5.5
114.01848	41.8
115.02164	1.4
123.08025	2.1
125.02337	2.5
125.09595	11.3
145.05020	2.4
161.04437	1.4
190.12230	1.8
198.57925	1.1
202.15904	2.1
206.11734	1.2
209.11737	15.8
210.12247	1.7
212.14325	2.2
213.11545	2.3
224.12920	1.8
225.00681	1.6
228.13858	1.5
230.15454	46.6
231.15825	3.2
247.27678	1.1
248.16571	1.9
253.14555	1.3
279.17206	3.7
338.24826	6.8
356.25900	10.9
357.26135	1.2
364.22845	4.8
382.23856	38.0
383.24167	4.0
400.24860	21.6
401.25552	2.4
410.26544	1.5
418.26019	28.7
419.26239	4.9
471.28677	4.3
503.32251	4.3
509.65128	1.3
636.33746	30.0
637.34131	7.1
708.09009	1.3
733.36041	2.9
751.36572	100.0
752.36749	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98695	0.9
69.54705	0.7
69.55116	1.1
71.01250	1.3
72.99184	2.7
73.43554	0.3
75.00745	100.0
76.01092	1.1
78.95768	0.7
87.00762	0.4
89.02323	1.1
93.08091	0.3
97.02828	0.5
101.02316	1.6
113.02306	0.7
119.03372	0.7
125.02330	0.7
143.80257	0.3
145.72710	0.3
161.04468	0.3
167.03479	0.3
170.48512	0.3
171.10205	0.9
194.93687	0.4
197.11797	1.3
202.81242	0.3
211.13344	0.6
223.13319	2.7
224.13814	0.3
225.11302	0.5
235.08153	0.7
251.16521	0.4
253.09294	0.7
255.30302	0.3
277.21750	3.6
278.22113	0.4
287.07730	0.3
291.19666	1.7
305.08945	0.4
309.20862	0.6
397.13431	7.2
398.13843	0.6
415.14551	2.4
416.14716	0.5
431.02942	0.4
751.38855	2.3
752.39929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98705	0.3
69.03259	0.1
69.21477	0.1
69.61034	0.4
69.61435	0.3
71.01250	1.3
72.99175	2.8
73.02823	0.1
75.00744	100.0
76.01083	0.8
83.01247	0.2
83.43204	0.1
85.02832	0.2
85.75835	0.1
87.00742	0.2
89.02315	0.9
95.01260	0.1
97.02820	0.2
101.02325	1.0
104.36279	0.1
113.02319	0.5
119.03400	0.3
125.02353	0.5
128.66330	0.1
143.03423	0.2
161.04451	0.3
163.12927	0.1
179.05467	0.2
209.11906	0.1
229.43164	0.1
235.08247	0.5
250.39934	0.1
253.09201	0.1
258.38266	0.1
277.21704	3.2
278.22153	0.3
305.08948	0.2
362.38016	0.2
397.13486	5.5
398.13882	0.5
415.14484	1.7
416.15048	0.1
419.08008	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82486	0.6
57.03324	0.9
58.00482	0.7
59.01249	10.0
61.43603	0.5
61.98700	100.0
71.01250	9.3
72.99184	1.2
73.02820	1.4
74.17329	0.5
75.00753	0.7
75.35896	0.4
78.95780	0.6
81.03349	0.5
83.01264	1.3
85.02824	1.2
87.00778	1.9
89.02310	6.5
95.01269	0.7
96.95888	0.8
97.02847	1.4
98.20566	1.0
99.00761	0.7
101.02314	6.5
113.02309	3.1
113.09608	1.8
116.06246	0.7
116.92798	0.6
119.03427	1.9
119.04922	2.3
121.02843	2.0
125.02307	3.3
137.02303	0.5
137.35945	0.4
143.03400	0.9
145.02850	1.0
161.04437	1.4
163.03891	1.3
164.81465	0.6
171.10175	1.6
179.05502	1.1
179.10651	0.6
183.13867	1.5
185.11609	0.8
195.13895	0.6
209.11758	2.4
211.13466	2.8
212.13687	0.7
223.13339	1.0
235.08229	2.8
253.09244	0.8
253.73923	0.5
275.20212	2.3
276.20535	0.9
293.21210	29.0
294.21622	2.0
305.09009	0.7
313.02905	0.6
397.13474	25.0
398.14050	2.1
415.14557	11.7
416.15103	1.2
461.20978	0.6
767.21033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12523	0.4
59.01235	0.5
61.98700	100.0
62.07262	0.4
70.06361	0.4
71.01270	0.4
71.52514	0.4
75.00737	0.5
87.00759	0.3
88.98692	2.5
91.96310	0.4
119.04918	1.7
134.03749	0.4
145.02849	0.6
153.28003	0.4
162.03052	0.3
163.03955	0.8
209.11774	0.7
249.31285	0.4
250.96150	0.4
288.46338	0.4
495.02844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
57.22726	1.1
59.01252	6.9
61.98703	37.5
63.64823	0.9
70.02510	1.6
70.02856	17.5
70.19699	4.3
71.01256	11.3
72.99130	1.1
73.02814	3.0
75.00742	6.2
79.27597	1.0
80.96389	3.0
83.01246	1.1
85.02821	4.3
87.00747	2.7
89.02319	2.7
96.00816	6.2
97.02814	1.2
97.06450	2.1
101.02324	5.1
107.35027	1.1
110.33475	1.0
113.02327	2.9
114.01063	2.1
114.01855	33.9
116.92683	1.4
119.04935	2.3
123.08015	2.3
125.02387	1.5
125.09590	8.8
161.02383	1.5
167.03337	1.1
198.12236	1.2
202.15939	2.3
209.11729	5.2
210.12038	1.3
211.13275	2.7
212.14302	2.4
213.11490	1.9
224.12915	1.3
225.11093	1.0
230.15460	38.6
231.15825	3.9
248.16350	2.0
253.09389	1.6
256.13193	1.8
273.17038	3.5
276.42862	1.1
338.24887	8.3
356.25879	8.5
357.26190	1.8
364.22815	4.8
382.23810	32.2
383.24127	4.4
397.13730	1.4
400.24896	14.0
401.25439	3.3
418.25958	23.7
419.26306	3.7
463.61435	1.0
471.28525	1.7
636.33868	26.5
637.34155	2.7
645.71667	1.2
655.34424	1.3
733.35675	3.2
751.36584	100.0
752.37152	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01182	0.7
59.01246	4.1
61.98696	1.9
69.82357	2.0
71.01248	3.1
72.99165	0.8
73.02817	1.3
85.02805	1.4
87.00764	1.7
89.02330	1.0
93.03319	1.8
96.95905	1.0
101.02319	1.5
113.02319	1.9
115.79982	0.6
117.03350	21.0
118.03714	0.7
119.04921	9.3
120.99513	0.7
121.02863	1.1
123.04449	0.7
125.02324	1.6
132.02068	22.5
134.03645	3.2
135.04424	1.0
137.02367	1.1
143.04868	0.9
145.02853	83.4
146.03200	4.4
149.05980	1.1
151.00259	0.7
157.59216	0.6
160.01569	82.6
161.02151	4.9
162.03098	0.7
163.03922	8.0
171.04390	0.8
173.06000	2.6
175.03923	100.0
176.04280	4.8
178.02638	0.9
179.03363	1.0
179.47794	0.6
189.05449	0.8
193.05014	2.9
205.04961	0.8
216.91118	0.7
217.04993	3.8
220.27084	0.6
231.50287	0.7
285.03961	0.9
307.08237	10.5
308.08572	1.2
309.06882	0.6
426.31393	0.7
511.14859	0.8
529.16260	0.9
553.15582	1.1
571.16730	14.4
572.17065	1.8
601.17554	2.7
651.55603	0.7
687.19257	1.9
747.21472	15.6
747.34790	1.4
748.22650	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	747.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87103	1.1
59.01251	3.6
61.90044	1.0
61.98716	3.6
66.87842	1.1
69.51939	2.4
69.52343	6.1
71.01258	2.5
72.99178	1.3
84.50154	1.1
88.98692	1.4
93.03338	3.4
96.95882	2.0
108.02077	2.2
117.02705	0.7
117.03354	35.6
119.04917	89.6
120.05270	3.4
121.02862	7.8
121.03629	1.4
122.03624	10.6
123.04407	3.2
125.02305	1.9
125.09624	1.4
133.02846	2.7
134.03679	2.0
135.04414	2.7
136.01582	5.6
137.02338	1.9
145.02859	90.6
145.06511	1.6
146.03673	9.8
149.01187	1.8
149.02330	13.6
150.03131	53.6
151.00325	2.7
151.03941	8.4
161.02383	2.0
161.05991	3.2
162.03131	2.7
163.03923	100.0
164.04654	9.8
165.01862	2.2
165.05479	39.9
166.02647	6.9
166.05812	2.0
171.10210	2.9
175.03946	1.3
177.01816	1.9
177.05489	2.2
177.67392	1.1
178.02637	1.8
179.07062	6.7
180.04208	3.9
181.04970	12.7
189.05460	1.3
193.05035	2.3
195.06572	14.9
201.11304	9.0
209.11729	2.2
211.13257	1.3
230.17657	1.3
253.09338	3.0
327.21774	5.1
369.13580	1.4
371.11411	2.8
387.83765	1.2
519.16638	3.1
521.17590	1.8
532.17584	1.8
533.18030	5.9
534.18433	1.7
549.17035	1.2
550.18530	7.3
551.19147	20.5
552.19531	4.3
567.18640	8.3
568.18835	1.7
605.20789	1.6
699.24567	4.4
729.25403	7.5
730.25647	2.9
747.26703	11.2
748.26398	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	747.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.5
61.98680	1.3
70.86827	1.3
71.01246	2.9
73.02829	0.9
73.63892	0.6
84.86163	0.7
85.02824	1.7
87.00752	1.2
93.03292	0.8
101.02316	1.5
109.02871	1.3
113.02337	2.3
117.03346	25.5
117.73438	0.7
118.03645	1.3
119.04916	12.6
120.99513	1.2
121.02847	1.5
123.00690	0.8
125.02380	1.0
132.02061	25.5
133.02809	2.7
134.03619	6.3
135.04443	1.0
137.02351	0.9
145.02855	84.3
145.48611	0.7
146.03172	2.5
149.05975	1.0
153.01884	1.0
158.45940	0.9
160.01569	100.0
161.02263	9.0
161.05951	1.0
163.03917	9.2
167.03476	0.8
173.05922	1.4
175.03922	88.6
176.04221	3.7
178.02550	0.8
193.04950	4.4
204.43753	0.8
209.11754	1.5
217.04999	2.6
235.17084	0.8
286.40985	0.7
289.06900	1.0
307.08295	6.1
455.22873	1.6
483.12970	1.6
511.14392	1.3
529.15942	2.0
553.15601	2.8
571.17053	3.8
572.17279	0.9
601.17926	2.0
645.18506	1.3
687.19330	10.6
688.19116	1.7
705.20135	7.6
706.20160	1.3
747.21533	31.2
747.33685	1.8
748.21655	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	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
61.98701	100.0
71.27530	0.5
80.96397	0.8
95.40094	0.5
97.06479	1.2
98.19730	0.8
101.02332	0.8
116.94508	0.5
120.14668	0.7
122.39323	0.5
123.08091	1.0
125.09618	8.1
171.10191	0.6
187.09673	6.9
277.21719	1.3
412.30270	0.6
423.19003	1.2
525.09631	0.5
643.23547	0.5
683.40070	17.3
684.40564	4.3
747.36475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.9
61.98703	17.5
64.69768	2.1
70.07286	9.2
70.08331	2.3
71.01259	7.8
73.02839	2.6
74.98955	10.3
85.02800	3.8
89.02310	3.7
91.01664	2.2
93.03347	3.3
96.95917	12.4
96.96413	2.1
98.16872	2.3
100.80246	2.2
101.02318	3.2
108.02083	3.7
109.02831	3.3
109.31074	2.6
118.97982	57.6
119.04902	4.0
119.83745	2.0
121.02856	5.8
125.02358	4.0
133.02756	3.9
134.03693	2.1
135.04425	4.5
136.29079	2.2
137.02328	3.1
144.89017	2.2
145.02783	2.0
149.02322	3.3
151.00241	4.3
153.01842	2.3
157.06297	2.3
160.01505	4.1
161.02383	6.4
162.03177	4.6
167.03557	2.8
175.03860	2.9
177.05449	2.7
179.03352	4.6
193.05038	2.5
203.42719	2.0
226.02563	2.7
255.03113	2.7
270.01617	9.4
271.02328	2.6
284.03201	2.4
285.04044	55.9
286.04422	8.0
299.01871	6.5
299.05273	2.5
300.75433	2.7
313.03543	39.2
313.06915	3.7
314.04160	10.4
327.05078	9.3
328.05856	100.0
329.06589	20.2
330.06982	2.3
353.00134	2.2
364.29706	2.3
461.07172	7.7
507.12979	2.5
509.53018	2.3
585.09296	5.3
592.11011	2.8
736.10284	2.6
747.12512	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.5
61.98706	6.5
69.03329	1.3
70.65723	1.1
70.66055	1.3
71.01253	3.1
79.95621	1.1
87.00753	0.8
88.55146	0.9
89.02305	1.9
95.04908	0.8
97.17547	0.8
101.02341	2.7
101.95821	1.0
119.03343	1.2
125.02357	1.0
127.35172	0.8
155.81657	1.0
161.04514	1.5
161.13429	0.9
167.10709	2.7
172.19057	0.9
174.50751	0.8
179.14326	2.7
179.22977	0.8
183.13817	5.9
193.12181	0.9
195.13832	8.7
205.12328	6.3
211.13336	100.0
212.13696	5.8
223.13350	73.5
224.13673	6.4
235.08218	3.2
253.09261	6.5
399.24890	1.1
429.21594	1.3
441.21579	1.5
441.59937	0.9
447.22189	8.6
459.22372	11.7
460.22784	1.7
625.11841	0.9
635.34436	4.2
653.35828	6.0
654.35956	0.9
719.40588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26385	0.5
60.70714	0.5
61.98703	100.0
65.16795	0.5
71.01247	0.6
71.20271	0.9
78.95745	0.6
97.06509	0.8
104.13559	0.5
104.44562	0.5
107.65071	0.5
110.95865	0.6
123.08056	0.7
125.09608	7.9
146.18597	0.5
161.04532	0.5
168.41243	0.6
187.09741	3.0
255.23581	0.8
277.21704	3.8
278.22034	0.9
341.22858	0.6
683.40118	18.5
683.51740	1.1
684.40326	4.5
693.36932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
59.01516	0.2
60.99174	0.6
61.98699	100.0
70.09889	0.6
71.01252	1.0
73.02824	0.2
73.57532	0.2
75.65148	0.2
83.04897	0.7
87.00761	0.5
88.00291	0.6
88.98675	3.7
89.02319	1.1
98.20442	0.2
101.02323	0.6
111.67134	0.2
113.02307	0.4
125.09630	0.4
127.11160	0.4
128.11607	0.2
155.10745	0.2
161.04414	0.2
163.11188	0.5
164.59514	0.2
171.10165	1.0
201.11246	6.7
202.11575	2.3
209.11757	14.8
210.12096	6.0
211.12492	0.3
227.12874	1.7
228.13211	0.8
235.08267	0.6
253.09282	2.3
254.09677	0.8
277.21695	8.5
278.22052	6.3
278.24988	0.4
279.22449	0.3
293.21188	0.3
324.42624	0.2
743.42432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78669	0.3
59.01245	0.8
60.99175	17.4
61.98693	1.9
63.26143	0.3
70.80094	0.3
71.01250	0.4
71.08788	0.4
85.67850	0.3
87.00761	1.6
88.00268	2.9
88.11556	0.4
88.98676	100.0
89.02314	15.7
89.99020	1.0
98.78325	0.3
101.02330	0.4
125.74095	0.3
171.10240	0.6
187.09694	0.4
192.85550	0.4
194.56462	0.4
255.23204	0.5
276.38150	0.3
277.21698	1.0
397.13528	1.5
415.14392	0.5
743.42407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.1
55.60979	0.7
57.03323	5.0
57.38363	0.5
59.01247	0.6
61.98704	1.0
65.00185	0.6
67.01746	1.3
68.99676	0.6
71.01257	1.9
83.01257	10.8
85.02826	41.2
86.03166	0.9
89.00210	2.4
89.24635	0.5
89.47530	0.6
91.01750	1.5
93.03375	0.6
95.01258	2.3
97.02842	1.6
99.00776	0.9
101.02338	0.9
106.00484	1.8
108.02059	2.9
109.02853	1.5
111.00768	21.1
117.03367	0.9
119.04922	1.7
121.02849	21.5
122.03166	0.9
123.00764	12.7
123.04421	2.7
125.02334	2.1
127.00253	2.3
129.01836	23.8
130.02168	0.8
132.02069	3.0
133.02870	1.0
134.03638	17.6
135.04411	1.3
136.01598	0.7
136.54639	0.6
136.98691	0.8
137.02341	6.2
138.03127	5.9
139.00273	2.0
139.03926	1.1
145.02869	0.7
146.03574	0.8
147.02896	0.9
147.04410	0.8
149.02437	0.6
149.05998	4.2
151.00278	0.7
151.03941	0.9
153.01837	1.2
153.05486	19.1
154.05878	1.3
154.99767	3.9
155.66977	0.5
155.99889	0.6
160.01578	18.6
161.02377	5.9
161.46036	0.5
162.03128	2.2
163.03909	1.3
165.01729	0.6
166.99770	11.1
172.05219	1.6
172.07417	0.7
173.00882	3.0
173.05988	1.1
174.03209	0.6
175.03935	21.9
176.04251	1.3
177.01846	0.7
177.05438	0.9
178.02609	3.1
179.03372	0.8
181.01286	0.6
182.02132	38.9
183.02483	1.9
187.03943	0.9
188.04692	0.8
189.05478	1.9
191.01962	1.1
193.05013	18.1
193.06778	1.0
194.02158	1.3
194.05409	0.6
197.04498	100.0
198.04840	5.5
199.04001	0.8
200.04727	2.7
201.05457	0.6
202.06238	3.0
205.05128	0.6
215.07141	2.3
217.05032	0.9
217.08682	3.7
218.05800	7.5
219.06380	1.1
222.05261	0.7
228.04260	1.0
233.08165	24.4
234.08479	1.4
237.07640	2.5
243.06628	2.4
261.07666	11.2
265.07184	8.6
267.25772	0.6
285.04105	0.6
287.05533	1.4
305.06610	3.3
309.06216	3.2
327.07309	1.0
371.06171	1.2
389.07288	0.6
535.19061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.2
61.98700	1.7
70.26692	1.2
70.27047	0.8
70.76473	0.4
78.95775	31.1
84.83755	0.4
91.48946	0.4
93.93875	0.4
96.96845	2.2
113.28104	0.4
117.89650	0.4
136.29138	0.5
139.11156	0.5
141.01596	10.9
143.03001	0.4
150.97949	0.7
152.99489	38.4
153.99908	0.7
171.00540	3.4
171.39128	0.5
188.98494	1.5
223.01959	1.6
227.03210	3.8
232.97470	9.3
233.97856	0.7
245.04210	0.9
253.21703	27.5
254.22086	2.5
255.23407	0.5
277.21713	73.9
278.22052	6.5
305.02258	1.4
314.97913	2.5
365.06918	0.4
396.98160	1.7
413.20892	2.5
463.24860	0.6
487.24747	1.3
505.25726	100.0
506.26050	13.3
741.47083	21.8
742.47681	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	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82177	0.6
59.01252	5.8
61.98702	2.0
69.60020	0.5
70.82469	1.2
71.01258	5.6
71.23915	0.5
72.99154	0.6
73.02808	1.0
78.95774	1.7
80.02547	0.9
81.03343	0.9
83.04881	3.6
84.02064	0.6
85.02828	1.6
87.00796	0.9
89.02319	2.3
97.06468	0.8
101.02324	3.7
113.02323	2.2
119.03395	1.2
125.02306	0.6
125.09613	2.3
127.11185	2.3
133.05060	0.7
143.03407	1.0
147.30142	0.6
152.99442	0.9
155.10704	1.2
161.04456	1.7
163.11198	3.9
165.12732	2.2
171.10112	1.2
179.83385	0.6
181.12363	0.6
191.10680	0.8
199.09721	0.8
201.11252	42.3
202.11615	3.1
207.10220	0.9
209.11765	88.6
210.12094	5.9
219.56186	0.6
225.11255	1.2
226.11603	1.2
227.12801	11.4
227.14861	0.9
228.13374	0.8
235.08176	7.8
253.09256	14.2
254.09796	0.9
277.21704	100.0
278.22009	11.4
375.31946	0.6
404.81143	0.6
419.18890	0.8
437.20224	1.6
445.20718	1.6
457.11124	0.6
505.25922	0.8
513.30579	1.3
741.43109	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	741.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.0
59.01253	13.4
60.43077	1.5
61.98705	17.6
70.90017	1.6
71.01257	4.2
71.52831	1.7
72.76808	1.4
89.02324	4.1
96.95849	1.9
97.06457	7.4
101.02303	5.7
110.79135	1.5
111.08020	4.7
113.02351	4.2
119.04889	5.9
121.02863	1.9
125.02304	1.7
151.11189	13.5
161.04366	1.5
163.03877	6.4
169.10802	3.6
169.12251	68.4
170.12628	2.3
171.10204	3.7
185.11745	6.4
197.11758	20.4
209.11761	6.1
210.12035	3.7
211.13347	6.1
213.11259	10.0
235.08054	1.9
253.09294	5.5
277.21695	2.0
291.19736	4.7
293.21225	4.3
295.22632	1.8
309.20889	8.7
310.20694	1.8
407.80228	1.8
449.20221	3.9
650.59521	1.6
723.38440	1.7
741.40594	100.0
742.41003	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	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.1
61.98699	17.6
71.01250	4.1
75.48378	2.4
78.95763	5.2
80.96384	6.6
83.04895	5.2
85.02821	4.9
87.00771	3.6
94.73470	2.8
101.02287	4.7
119.04885	5.0
152.99477	5.9
161.02263	3.8
167.03305	3.0
189.78577	2.6
209.11768	100.0
210.12122	5.3
227.12846	22.5
235.08141	3.5
253.09151	5.2
260.77756	2.7
277.21738	8.2
445.20560	11.2
463.22592	2.9
499.01126	2.7
505.25684	7.9
643.00000	2.8
679.16656	3.2
741.34442	34.4
742.34692	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48389	1.0
57.03315	2.2
59.01248	10.0
61.98689	4.8
69.03298	1.3
71.01247	4.8
71.52910	1.2
72.99110	1.1
73.02803	2.4
78.95762	3.1
83.01300	1.0
83.04875	1.9
85.02831	1.1
89.02296	3.0
95.04922	2.3
97.06460	8.0
101.02320	5.3
103.71323	1.0
106.17236	1.1
111.08006	4.6
113.02317	2.9
117.03350	3.7
119.03410	1.0
119.04906	8.2
121.02854	1.1
145.02837	6.4
147.42023	1.2
150.37535	1.0
151.11174	17.2
152.99451	1.8
160.05183	1.4
163.03889	5.9
166.39842	1.0
169.12256	73.2
169.53964	1.1
170.12561	3.6
171.10112	1.8
179.03477	1.2
185.11775	2.2
195.10149	2.3
197.11766	23.4
198.11905	1.3
209.11803	5.5
211.13338	4.1
213.11252	9.1
227.12721	1.6
253.09261	4.0
263.20148	1.4
277.21701	5.0
291.19681	4.1
295.22668	2.1
309.20657	6.8
431.19070	2.7
441.68594	1.2
443.44894	1.3
449.20245	4.6
505.25449	4.2
595.16016	1.2
613.85797	1.3
664.81586	1.2
705.34326	1.3
741.40576	100.0
742.40735	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	741.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82175	0.4
59.01244	1.8
61.98708	4.2
70.27294	0.4
74.93661	0.5
78.95767	1.3
88.98682	0.5
93.03320	1.7
101.40888	0.4
117.03334	8.8
119.04913	100.0
120.05228	4.0
121.02849	1.1
132.05751	0.5
145.02850	20.8
146.03204	0.9
152.99434	0.8
163.03915	82.6
164.04280	3.2
174.55515	0.6
175.03940	0.7
177.05482	2.0
197.11789	1.5
201.05392	1.0
209.11702	1.0
211.13327	0.6
228.46320	0.5
253.21767	0.7
253.57523	0.5
274.94077	0.5
277.21716	2.8
299.55399	0.5
309.20761	0.5
325.20410	0.6
337.06985	0.8
339.08664	2.1
354.11075	1.5
368.61447	0.5
392.00732	0.5
398.10089	0.9
408.44229	0.5
413.12857	0.7
431.52734	0.5
461.87500	0.5
485.12875	0.6
505.25912	3.0
533.18188	1.3
545.18152	37.5
546.18646	7.6
679.21790	0.6
709.22815	5.7
710.23615	0.8
741.25555	7.5
741.47150	0.9
742.25604	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	741.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86768	0.5
51.93874	0.6
59.01242	1.4
61.98705	3.5
71.01228	0.5
71.52648	0.6
72.99190	0.6
78.95777	0.8
87.00742	0.8
93.03355	0.8
96.95851	0.7
115.23672	0.6
117.03346	1.6
119.04912	37.3
120.05255	1.2
123.00768	7.7
124.43812	0.6
134.07045	0.7
137.02397	0.9
138.03123	12.8
144.10619	0.6
145.02861	7.6
152.99519	1.4
153.05473	14.8
161.02332	1.7
163.03902	24.4
164.04269	0.8
171.10141	0.9
175.03912	1.4
187.03877	1.6
189.01865	2.7
195.10214	1.1
197.11784	0.6
201.01807	1.2
202.02635	1.5
203.03496	5.4
204.04198	0.6
204.39067	0.6
209.11873	1.1
211.13419	1.1
216.04166	0.8
217.01344	6.4
217.04799	1.0
218.05736	1.4
219.06535	0.7
230.02132	1.4
232.03751	1.7
233.08073	0.9
245.04579	1.1
247.06166	3.2
253.04982	0.8
253.09213	0.7
253.21634	1.8
269.04776	0.9
277.21716	2.4
281.04553	1.8
292.03738	2.1
293.04251	1.2
306.05334	0.8
307.02579	0.9
307.05978	0.8
308.03403	0.9
309.04263	3.2
320.03192	1.7
321.04108	1.7
323.05518	1.5
324.06149	1.1
325.03574	0.8
327.08774	2.2
327.21729	1.1
334.04718	0.8
335.05563	1.9
336.02820	1.4
336.06299	2.3
337.03445	2.8
339.05112	1.0
339.08804	1.4
340.05728	1.9
351.05017	3.2
352.05771	4.1
353.02869	2.2
353.06656	1.0
355.08243	3.1
366.07376	1.0
367.08170	5.5
368.05130	1.4
369.09811	1.1
381.09805	1.5
383.07715	6.1
384.07990	0.8
397.09235	1.9
398.10086	2.8
401.12485	1.8
410.19986	0.6
413.12399	100.0
414.12695	10.7
431.13358	4.7
505.25864	5.7
562.74109	0.7
577.17194	2.8
741.47565	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	741.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.4
61.98704	14.0
63.99115	1.2
69.09372	0.5
71.01252	1.5
75.00748	2.5
77.03822	2.7
78.95782	0.7
80.02538	0.6
83.04894	1.5
85.02833	0.7
86.46741	0.4
87.00757	0.5
89.02315	0.7
101.02332	0.6
108.35285	0.4
113.02390	0.4
120.92176	0.4
121.02839	100.0
122.03156	3.4
137.02336	1.1
141.01581	0.7
145.07358	0.5
152.99490	0.4
158.36598	0.4
163.11191	0.7
165.01834	72.7
166.02138	2.6
171.10165	1.5
180.05759	0.5
181.06508	2.4
183.13870	1.0
185.11777	0.9
191.03433	1.7
195.13831	0.6
196.14197	0.4
197.11815	1.2
198.12076	0.4
209.11766	17.2
210.12080	7.7
211.13379	3.8
212.13560	2.3
213.11292	0.5
225.05463	1.6
227.12807	2.5
228.13229	0.7
235.08205	0.8
253.09187	2.3
254.09674	1.0
271.14487	0.5
275.20108	1.7
276.20447	1.8
277.21848	1.0
291.19754	0.7
292.19846	0.7
293.21259	7.2
294.21536	6.7
309.20682	1.0
313.07150	1.8
357.06161	9.7
358.06396	0.7
505.25443	1.3
549.10168	1.1
741.14514	5.3
742.14844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.7
59.01234	8.4
61.98695	3.7
70.86317	1.7
70.86679	2.5
71.01247	9.3
71.04884	2.8
71.28378	1.0
73.02821	2.4
76.44906	1.2
77.12260	0.9
78.59416	1.0
78.95762	5.3
85.02818	2.9
87.00729	1.2
89.02311	2.7
97.02830	3.9
97.06435	5.1
99.00750	27.8
101.02318	3.7
109.06480	2.5
113.02334	3.2
119.03329	1.3
123.08030	1.8
125.09606	9.3
135.08096	1.2
145.05009	1.8
152.99442	1.5
161.04555	2.0
163.11194	7.5
171.10187	27.5
181.12273	11.4
182.12518	1.2
197.11763	4.5
198.12239	1.4
199.13332	6.8
201.11229	3.4
207.10190	26.8
225.11278	47.4
226.11665	2.6
235.08214	2.5
243.12347	14.7
253.09279	4.7
277.21716	65.7
278.22089	6.9
295.22668	1.7
443.19330	1.8
453.51816	1.2
461.20145	5.9
479.21179	3.2
582.80115	1.2
736.24286	1.2
739.42615	100.0
740.42761	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	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22406	0.1
59.01248	0.4
61.98701	100.0
62.98408	0.2
71.01269	0.4
85.02789	0.1
87.00744	0.1
89.02311	0.2
93.80420	0.1
101.02322	0.2
125.48618	0.1
129.30602	0.1
143.11740	0.1
150.18666	0.1
197.11755	0.2
211.13304	0.7
212.13725	0.2
279.23401	0.3
280.23703	0.3
281.24008	0.2
309.20807	0.2
310.20978	0.1
322.98218	0.1
340.90530	0.1
397.13422	0.2
398.13675	0.2
399.14078	0.4
417.15305	0.2
452.24762	0.1
495.57065	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.3
61.98703	100.0
62.98407	0.1
62.99129	0.1
66.26607	0.1
69.32820	0.6
75.81568	0.1
78.53150	0.1
81.03327	0.1
83.04922	0.3
84.05269	0.1
85.02842	0.1
92.63768	0.1
96.66183	0.1
120.52892	0.1
133.08154	0.1
138.80727	0.1
226.16515	0.1
278.25644	0.1
463.66861	0.1
678.50476	0.3
679.50293	0.9
680.50610	2.0
681.51465	0.1
740.49329	1.3
741.50226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39929	0.5
55.01756	1.2
57.03321	12.9
59.01244	4.9
61.98695	0.5
63.27994	0.5
68.99672	0.7
69.61671	2.6
71.01260	3.7
72.99178	0.9
75.00745	0.6
83.01257	3.0
84.02057	3.0
85.02822	100.0
86.03170	1.9
87.00747	1.5
89.02314	0.6
96.95915	0.7
98.20492	1.1
99.26863	0.7
101.02322	1.1
103.00259	0.9
111.00767	4.9
115.00202	0.7
121.02847	0.8
125.02338	0.6
129.01834	11.7
133.02859	1.8
135.04417	4.7
147.02892	13.3
149.02361	4.3
151.03932	0.7
161.02362	4.4
164.04688	2.3
173.00835	2.8
177.01820	0.7
179.03432	2.8
180.03789	0.6
183.66664	0.7
191.01901	48.1
192.02310	1.2
203.07077	0.8
205.05037	0.8
209.02988	12.8
223.06024	3.0
285.04031	2.5
309.06082	0.8
371.06137	1.9
397.07742	3.2
415.08807	60.2
416.09189	5.8
477.29166	0.6
577.12396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39721	0.1
57.01944	0.1
59.01250	0.3
61.98700	100.0
62.55581	0.1
62.98407	0.3
65.52780	0.1
70.65900	0.1
71.01254	0.1
71.44654	0.1
89.02336	0.1
113.02332	0.1
147.90256	0.1
161.04495	0.1
209.11801	0.4
211.13347	0.2
278.22153	0.2
280.92310	0.1
293.21280	0.2
334.00006	0.1
398.14075	0.1
399.13937	0.2
400.14386	0.1
417.15472	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93098	0.1
59.01247	0.2
61.98701	100.0
62.98402	0.2
69.50583	0.7
71.01247	0.2
81.65363	0.1
96.65965	0.2
97.45604	0.1
98.20512	0.3
253.48950	0.1
263.30060	0.1
277.21512	0.1
278.21902	0.1
309.14975	0.1
398.14032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04810	0.9
55.01743	0.9
57.03322	2.3
59.01250	13.2
61.98701	60.3
69.03280	1.0
69.19370	8.4
71.00896	1.4
71.01255	16.6
72.99183	2.3
73.02814	3.5
78.95748	1.1
80.96387	1.6
83.01260	1.9
85.02825	5.1
87.00732	6.0
89.02304	3.8
95.01280	1.7
95.04911	1.4
97.02818	1.4
97.06466	4.8
99.00786	1.5
101.02335	9.2
106.79003	0.8
108.04411	1.0
110.28726	0.8
113.02329	5.9
119.03455	1.0
119.04947	1.5
122.05987	3.8
123.08047	2.9
125.02311	2.4
125.08739	1.7
125.09613	26.7
137.02359	1.0
145.04973	1.9
151.03897	1.5
161.04439	2.2
163.04018	1.1
169.08641	0.9
170.33873	0.9
171.10167	1.4
183.58502	0.9
209.11780	3.5
216.17543	2.0
221.60332	0.9
229.14563	1.6
230.15453	2.5
235.08255	2.0
244.17026	19.6
245.17380	2.0
270.18631	13.5
271.18988	1.7
288.16455	1.0
288.19748	1.6
291.19727	1.7
296.16550	1.7
314.17444	5.5
352.26263	2.1
370.27496	6.6
371.27567	1.7
378.24356	2.0
396.24783	5.1
396.29297	2.8
404.38339	1.1
414.26239	6.2
422.26999	4.8
432.27536	7.8
433.27921	1.5
440.28140	8.6
458.29160	15.0
459.29251	2.1
476.30286	3.9
482.30612	0.9
675.55157	1.0
676.36548	4.6
694.34393	45.8
695.34692	8.2
720.36200	2.6
721.35144	1.0
738.37085	100.0
739.37323	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	738.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
55.33117	0.8
57.03312	3.2
59.01247	17.0
60.99165	1.2
61.98702	61.0
62.38311	0.8
64.60302	0.8
65.22958	0.8
65.77412	0.9
69.03300	1.1
71.01253	17.1
71.32504	1.3
72.99162	2.4
73.02814	3.6
80.96362	1.7
80.99633	0.8
83.01252	2.3
83.84840	1.1
85.02840	6.2
85.99933	1.1
87.00742	5.8
89.02321	5.0
93.03389	1.1
95.01262	2.1
95.42016	0.8
96.95887	8.8
96.96826	1.1
97.06455	6.7
99.00752	1.5
101.02322	11.5
108.04430	1.1
113.02328	4.8
115.03838	1.0
119.03379	1.0
122.06025	4.3
123.08038	4.1
125.09609	36.3
126.09953	1.1
145.05009	2.6
161.04446	2.6
168.59283	0.9
172.07478	1.0
193.49969	0.9
202.15976	1.0
209.11769	1.3
216.17528	1.6
229.14651	1.4
230.15421	2.6
235.08105	2.1
244.17024	22.1
245.17320	2.0
248.16393	0.9
270.18622	19.2
271.18839	1.6
279.23315	1.1
288.16000	1.3
288.19507	1.7
296.16409	3.4
314.17615	5.9
329.13284	0.9
350.00031	0.9
352.26422	1.4
352.83032	1.0
370.27560	7.3
373.24716	0.9
378.28442	1.1
384.20496	0.9
386.72433	0.9
396.24619	5.3
396.29266	4.0
414.26300	7.4
415.26617	1.2
418.65408	1.0
422.26956	5.1
432.27393	9.9
433.27045	1.1
440.28128	13.0
441.28247	1.1
458.29123	20.3
459.29724	2.2
476.30341	5.2
609.53992	1.0
650.35638	1.2
676.37024	10.2
677.36774	1.9
694.34357	57.1
695.34558	8.1
720.24609	1.4
720.35748	6.7
721.37329	1.1
738.37073	100.0
739.37518	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	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00958	0.3
59.01248	5.0
61.98700	100.0
70.01556	0.4
70.01945	0.6
71.01255	4.8
72.01607	0.6
72.99199	0.4
73.02838	1.0
78.95791	0.4
83.01257	0.6
85.02818	1.2
87.00762	0.8
89.02312	2.9
94.63040	0.2
95.01292	0.5
97.02865	0.4
98.19832	0.3
101.02325	3.4
109.06492	0.4
111.04370	0.3
113.02318	1.6
117.03358	1.5
118.03708	0.3
119.03439	0.8
119.04912	3.5
120.05244	0.4
121.02879	0.6
121.99496	0.2
125.02320	1.3
143.03340	0.3
145.02849	3.1
146.03200	0.6
161.04471	0.5
163.03917	2.0
163.11273	0.4
164.04236	0.4
171.10170	0.5
171.94707	0.3
179.05562	0.4
207.10269	0.5
209.11780	2.5
210.12106	0.5
211.13315	2.5
211.14812	0.2
212.13704	0.3
225.11310	0.8
227.12897	0.6
235.08168	1.4
247.10197	0.3
253.09325	0.6
277.21710	4.9
277.24454	0.4
278.22028	5.1
278.24921	0.3
279.23145	0.6
287.07953	0.3
289.18149	0.8
291.19812	1.1
293.21185	0.4
307.19067	0.3
397.13525	6.9
398.13794	5.3
398.18539	0.4
399.14069	0.4
415.14639	3.0
416.14764	1.6
448.66891	0.3
475.51904	0.2
549.67224	0.3
718.39197	0.8
719.39984	0.3
736.39618	0.4
737.41058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03313	0.9
59.01252	6.3
67.74881	0.3
68.68788	0.4
69.03325	4.5
70.09786	1.4
71.01241	5.6
71.04881	1.2
71.64561	0.4
71.82308	0.5
73.02810	0.9
83.01294	0.4
85.02825	1.5
87.00745	1.1
89.02332	2.2
95.01221	0.4
97.02825	0.6
97.06460	1.2
99.00748	0.5
101.02328	3.6
109.06464	0.5
111.04418	0.5
113.02337	2.2
119.03349	0.5
123.08025	1.4
125.09622	1.9
149.09598	0.4
151.11133	2.3
153.12753	1.3
161.04449	1.0
161.09616	4.3
169.12274	2.4
179.10690	8.3
180.10997	0.4
197.11760	46.1
198.12085	2.5
223.09641	1.2
235.08159	1.1
241.10721	2.2
253.09232	3.0
259.20544	0.6
277.21704	53.5
278.22073	5.0
305.65421	0.4
459.18790	1.0
477.19696	1.7
478.20453	0.4
607.47809	0.5
616.03363	0.4
652.75934	0.4
737.41132	100.0
738.41455	24.4
761.26508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85608	1.2
63.02282	1.7
65.00194	5.8
70.27925	1.7
70.28276	3.8
83.01276	3.6
85.02820	2.6
107.01279	11.2
113.02293	1.3
125.02385	3.3
151.00267	29.6
152.00598	1.7
163.99294	1.5
165.00095	13.6
175.03935	1.4
242.07941	1.2
251.76590	1.2
255.03001	5.0
257.04413	2.3
273.02332	4.4
283.02469	2.6
284.03311	4.5
285.04037	4.1
310.28290	1.3
317.01215	100.0
318.01498	7.3
324.60489	1.3
396.97031	14.6
417.03552	1.6
655.09650	47.3
656.09979	9.9
735.05603	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	735.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.3
61.98698	0.8
64.12766	0.3
65.00190	0.3
69.03383	0.3
70.92774	0.7
70.93131	0.3
71.01267	2.0
71.01606	0.3
72.99191	0.3
73.02824	0.3
74.03113	0.3
83.01243	0.5
85.02825	0.9
87.00765	0.9
89.02302	0.8
89.03828	0.4
90.98520	0.4
91.46307	0.3
93.21767	0.3
95.06850	0.3
96.95879	0.6
101.02325	0.9
103.41544	0.3
103.60458	0.3
109.02826	0.6
113.02310	1.1
117.03344	0.8
119.04885	0.7
120.45030	0.4
121.02920	0.4
125.02333	0.7
132.02069	22.6
133.02805	1.7
134.03635	13.4
134.04488	0.3
135.04497	1.7
137.02333	1.3
147.04460	0.5
149.05931	1.7
151.00301	1.5
159.04437	0.4
160.01569	85.1
161.02144	6.2
162.93906	0.3
165.01833	0.4
173.02266	0.4
175.03923	100.0
176.04260	5.0
178.02631	1.5
179.03450	0.4
187.03944	0.6
188.04741	0.8
193.05000	12.0
193.06769	0.6
194.05350	0.6
196.28790	0.3
203.06946	0.4
205.04971	0.3
217.05011	0.6
217.98523	0.3
221.11940	0.3
225.05913	0.4
246.23018	0.3
246.25885	0.3
247.06091	1.1
261.00281	0.3
265.07318	0.4
287.05548	0.7
319.08081	0.6
322.06940	1.0
337.09186	4.5
338.09595	0.5
423.10153	0.4
481.13388	0.9
499.14621	3.2
513.14246	0.7
517.15424	2.2
518.15936	0.3
541.15747	3.5
542.15448	0.6
559.16656	5.3
560.16913	0.9
675.19305	8.8
676.19922	2.3
693.20331	1.9
735.21497	14.5
736.21857	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	733.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03311	2.2
58.83444	0.8
59.01250	100.0
59.33959	1.0
60.01606	1.4
61.98698	5.5
69.03336	1.4
71.01253	24.9
71.45376	1.7
73.02821	6.3
75.00762	1.7
83.01242	4.8
85.02824	15.0
87.00748	3.2
89.02306	7.3
95.01249	3.8
97.02811	2.7
99.00742	3.1
101.02317	13.0
102.02680	1.0
109.02829	1.2
110.67332	1.0
111.00800	1.5
111.93922	0.9
113.02334	18.2
113.88702	0.8
116.25346	0.9
119.03360	1.9
123.04384	1.6
124.01528	3.5
125.02320	8.4
128.03595	1.0
143.03384	4.3
151.03896	1.5
153.01810	1.3
161.02277	1.2
161.04462	5.1
163.03918	1.2
165.01819	1.1
167.03452	1.4
177.01830	1.1
179.05550	2.1
193.05081	1.1
209.11749	2.0
242.30911	0.9
381.22849	2.7
399.23929	2.7
489.24966	1.4
525.27039	19.1
526.26978	3.1
536.41254	1.0
543.28082	60.1
544.28479	8.9
561.29199	17.7
562.29065	2.3
571.17908	2.0
584.25391	1.0
585.29205	6.9
586.29230	1.5
603.30194	10.4
604.30536	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	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62392	0.1
59.01254	0.7
61.98702	100.0
62.98402	0.1
69.81181	0.5
71.01277	0.1
80.96377	0.6
90.66096	0.1
94.97986	0.2
105.33693	0.1
147.45068	0.1
162.39944	0.1
164.98615	0.2
171.10182	2.1
172.10536	1.1
173.10722	0.4
192.77356	0.1
225.00693	0.2
277.21707	0.6
278.22025	0.9
279.22446	0.5
385.41425	0.1
428.94635	0.1
500.19260	0.2
607.74518	0.2
638.73633	0.1
731.36102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30825	0.1
59.01246	0.4
61.98701	100.0
62.98411	0.2
71.01305	0.2
74.18060	0.1
77.60525	0.1
80.96395	0.7
83.49789	0.1
94.98033	0.1
112.68716	0.1
127.87273	0.1
164.98590	0.1
171.10172	1.5
172.10478	0.8
173.10739	0.3
185.03450	0.1
194.39795	0.1
204.81911	0.1
225.00774	0.2
277.21768	0.9
278.22034	1.0
279.22394	0.6
280.22797	0.1
471.76370	0.1
475.53918	0.1
494.75391	0.1
712.87415	0.1
731.36548	1.1
747.06775	0.1
753.84650	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	731.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25880	1.4
53.38191	1.5
55.01738	1.4
57.03321	15.7
59.01254	2.1
71.01268	3.1
71.53674	2.6
76.75409	1.3
78.75932	1.7
83.01263	4.4
84.02065	2.0
85.02824	100.0
86.03181	1.7
95.01273	2.0
109.02840	3.9
111.00776	12.7
121.02836	16.6
123.00787	3.8
124.55401	1.5
125.02327	4.6
129.01833	66.3
130.02171	1.9
133.02919	2.1
135.04404	6.1
138.03148	3.8
139.00365	2.7
147.02873	9.5
153.01833	3.7
153.05466	14.4
161.02304	7.9
166.99818	3.4
173.00859	16.0
179.03372	1.9
182.02173	9.7
191.01915	7.4
197.04482	44.1
198.04802	4.1
265.07199	10.0
284.24362	1.5
309.06201	3.1
327.07217	13.2
344.90393	1.7
371.06177	18.5
378.67288	1.5
389.07272	12.6
504.82297	1.7
569.11243	7.9
629.98114	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	731.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71266	0.9
59.01248	20.2
61.98694	3.9
71.01247	2.5
71.34650	0.9
71.52606	0.8
89.02336	1.6
92.29240	0.8
97.52292	0.8
101.02321	1.5
113.02336	1.6
115.24171	1.0
171.82571	0.8
183.13852	5.0
193.12215	1.5
209.11761	100.0
210.12135	7.7
211.13332	86.9
212.13692	5.0
235.08182	4.0
250.85210	0.9
253.09271	7.0
429.21298	3.7
445.20837	4.8
447.22324	6.3
597.02295	1.0
639.33649	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71037	0.7
59.01251	1.3
61.62742	0.6
61.98687	2.4
79.55650	0.5
88.98680	1.0
93.03310	3.5
98.20556	1.9
108.02035	0.9
117.03341	13.7
119.04910	64.5
120.05236	5.6
121.02837	5.3
122.03617	6.8
123.04403	2.4
132.02081	0.7
133.02802	1.8
145.01678	1.2
145.02847	35.4
146.03218	1.8
149.02342	8.8
150.03114	36.1
151.03960	3.8
162.03098	3.5
163.03909	100.0
164.04227	5.9
165.04138	1.4
165.05484	24.4
177.05460	1.3
179.06958	1.2
180.04199	2.5
181.04922	2.4
195.06534	7.5
201.11215	0.9
209.11823	1.6
211.13499	0.9
223.06046	1.8
268.07339	1.7
279.06805	0.9
280.07272	0.8
283.09769	2.2
293.08151	1.0
296.06827	0.9
308.06885	0.9
309.07706	1.5
311.09155	1.0
322.08313	1.1
323.09167	3.5
324.06384	1.4
324.09656	1.3
339.08704	11.3
340.09143	1.5
353.10336	0.7
354.10938	3.2
355.11591	0.9
369.13394	15.1
370.13809	1.4
440.57944	0.6
517.18500	0.7
532.17395	1.7
546.18433	2.0
547.18927	2.0
565.16736	0.8
583.21832	0.8
587.19269	1.0
605.20459	0.8
635.72876	0.8
681.23279	5.9
682.24091	1.1
711.24243	1.2
729.25317	9.0
730.25696	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	729.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71037	0.7
59.01251	1.3
61.62742	0.6
61.98687	2.4
79.55650	0.5
88.98680	1.0
93.03310	3.5
98.20556	1.9
108.02035	0.9
117.03341	13.7
119.04910	64.5
120.05236	5.6
121.02837	5.3
122.03617	6.8
123.04403	2.4
132.02081	0.7
133.02802	1.8
145.01678	1.2
145.02847	35.4
146.03218	1.8
149.02342	8.8
150.03114	36.1
151.03960	3.8
162.03098	3.5
163.03909	100.0
164.04227	5.9
165.04138	1.4
165.05484	24.4
177.05460	1.3
179.06958	1.2
180.04199	2.5
181.04922	2.4
195.06534	7.5
201.11215	0.9
209.11823	1.6
211.13499	0.9
223.06046	1.8
268.07339	1.7
279.06805	0.9
280.07272	0.8
283.09769	2.2
293.08151	1.0
296.06827	0.9
308.06885	0.9
309.07706	1.5
311.09155	1.0
322.08313	1.1
323.09167	3.5
324.06384	1.4
324.09656	1.3
339.08704	11.3
340.09143	1.5
353.10336	0.7
354.10938	3.2
355.11591	0.9
369.13394	15.1
370.13809	1.4
440.57944	0.6
517.18500	0.7
532.17395	1.7
546.18433	2.0
547.18927	2.0
565.16736	0.8
583.21832	0.8
587.19269	1.0
605.20459	0.8
635.72876	0.8
681.23279	5.9
682.24091	1.1
711.24243	1.2
729.25317	9.0
730.25696	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	729.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49367	0.2
51.49601	0.2
58.04724	0.1
59.01252	0.3
61.98712	1.2
69.47544	0.4
69.47962	0.7
71.01249	0.5
77.05962	0.2
91.01820	0.2
93.03333	1.2
95.01267	0.6
98.19855	0.4
106.56741	0.2
108.02065	0.6
111.00814	0.3
112.43702	0.2
115.00226	0.2
117.03324	0.3
119.04921	19.1
120.05278	0.6
121.02847	100.0
122.03178	3.6
123.00763	0.5
123.04436	0.6
124.01585	0.3
124.54194	0.2
125.02376	0.8
132.02057	0.4
133.02867	0.4
135.04457	0.4
137.02356	0.5
143.04927	4.2
144.05501	0.2
145.02849	1.0
145.06508	4.1
146.06897	0.3
149.02335	0.3
151.00270	3.2
152.01062	8.9
153.01625	0.5
153.05467	0.2
158.03680	0.3
159.04488	0.4
161.02359	1.3
162.03094	0.3
163.03926	13.6
164.04294	0.6
166.02631	3.1
167.03419	8.4
168.03680	0.2
172.09355	0.2
175.03958	0.6
176.04710	1.4
177.05489	0.4
179.03354	0.2
179.07056	0.2
187.03938	0.6
188.04723	0.3
189.05524	2.8
191.03389	0.3
191.07040	1.0
193.05054	0.4
211.07637	0.6
212.07977	0.2
219.02969	0.2
220.03751	0.4
221.04514	0.2
236.03300	0.5
237.03995	1.4
251.05612	1.4
252.06410	1.5
253.07050	0.5
285.07645	0.3
300.10074	0.2
319.06519	0.2
327.08789	0.6
343.07935	0.9
357.09766	2.0
358.10342	0.3
371.11368	0.8
373.09436	0.3
443.13458	2.4
444.13785	0.2
467.10425	0.2
471.12997	0.5
547.16083	9.9
548.16473	1.6
579.71454	0.2
640.88550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03095	0.2
59.01249	15.8
60.01590	0.3
70.03858	1.0
71.01242	1.4
73.02808	0.3
73.05614	0.3
77.99105	0.2
87.00736	0.3
89.02319	1.1
90.06420	0.2
95.82364	0.2
98.20529	0.3
98.62702	0.2
101.02336	1.3
113.02334	0.9
119.03381	0.4
125.09551	0.6
127.11183	1.5
132.23343	0.3
134.49269	0.2
150.01074	0.2
153.09184	0.3
161.04431	0.7
171.10175	100.0
172.10512	5.1
179.05583	0.4
185.17110	0.3
212.21199	0.3
214.47844	0.3
235.08083	1.6
253.09244	6.2
277.21713	50.6
278.22064	5.5
407.19260	2.4
408.19272	0.4
448.00430	0.3
513.31213	0.3
532.54236	0.3
723.06470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21281	0.2
59.01257	0.5
61.98701	0.6
70.44414	0.4
70.47118	0.2
71.01254	0.3
82.39324	0.2
85.02818	0.2
91.01742	0.2
93.03348	0.7
95.01257	0.3
101.02337	0.2
108.02047	0.8
109.02900	0.2
111.00670	0.2
115.00201	0.2
119.04919	15.1
120.05243	0.6
121.02845	100.0
122.03165	3.9
123.00768	0.5
123.04422	0.4
123.70563	0.2
125.02320	0.7
135.04431	0.4
137.02380	0.4
138.03088	0.2
143.04926	1.7
145.02892	0.4
145.06512	2.8
151.00282	2.4
151.03966	0.2
152.01057	4.6
153.01782	0.4
161.02316	0.9
162.02995	0.3
163.03925	10.4
164.04294	0.7
165.05472	0.2
166.02617	2.3
166.03856	0.3
167.03413	4.1
175.03946	0.6
176.04709	1.3
177.05525	0.2
179.03511	0.2
187.03979	0.4
189.05507	4.1
189.07097	0.3
190.05862	0.2
191.03558	0.2
191.06989	0.9
193.05016	0.3
204.13936	0.2
209.11809	0.4
211.07497	0.7
211.13440	0.2
212.07863	0.4
220.03699	0.5
221.04506	0.2
222.14972	0.5
236.03311	0.6
237.03891	1.2
251.05598	1.2
252.06415	1.1
253.07149	0.4
311.09213	0.2
343.08167	0.3
357.09854	2.3
358.10126	0.3
371.11404	0.3
443.13498	2.8
444.13760	0.3
469.12415	0.2
471.13699	0.3
496.86929	0.2
517.16998	0.2
519.47223	0.2
547.16034	3.6
548.16840	0.5
649.91852	0.2
730.36829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
60.95952	0.5
61.98697	2.7
62.77545	0.4
66.77515	0.4
71.06261	0.5
71.52432	0.5
71.52798	0.5
79.33829	0.5
93.03354	1.4
101.70445	0.5
117.03346	12.3
119.04914	100.0
120.01823	0.4
120.05252	4.7
121.02843	3.0
132.40483	0.4
135.04366	0.6
145.02852	35.2
146.03178	1.6
158.31816	0.6
162.03163	3.0
163.03915	72.6
164.04239	2.9
171.10136	0.9
177.01825	1.4
181.05116	0.6
192.04185	1.1
199.13434	0.6
201.11409	1.2
206.07150	0.5
207.06570	0.9
209.07924	0.5
211.13297	0.8
235.07976	0.6
291.43121	0.5
371.11130	1.3
581.20032	3.5
726.45581	1.6
727.23895	7.1
727.45868	0.7
728.23444	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30442	0.3
55.52803	0.3
57.03328	0.4
58.00449	0.4
59.01250	38.4
60.01579	0.5
63.85674	0.3
70.91696	0.7
71.01260	4.1
73.02824	0.7
83.01208	0.4
85.02810	1.0
87.00744	0.4
89.02309	2.7
97.06449	0.5
101.02328	3.8
113.02324	1.5
119.03431	0.6
125.09592	0.7
127.11169	1.7
127.62321	0.3
151.11197	3.3
153.09085	0.5
159.10149	0.4
161.04498	1.4
169.12256	32.8
170.12549	1.7
171.10179	89.5
172.10495	4.2
179.05511	0.5
187.13342	0.6
195.10149	0.4
201.11395	0.4
210.12006	0.6
213.11215	3.6
231.12363	4.1
235.08186	1.1
253.09242	4.8
269.32004	0.4
277.21713	28.3
278.22052	3.8
407.19028	1.4
449.20392	2.0
467.21426	3.3
506.53589	0.4
709.41626	4.9
710.41968	1.1
727.42706	100.0
728.43030	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80989	0.6
53.98055	0.5
58.17120	0.5
59.01250	42.5
61.98673	1.1
62.29871	0.6
64.35461	0.6
69.51178	3.8
71.01247	4.0
73.02802	1.6
73.85813	0.6
83.01248	0.7
83.04881	0.7
85.02818	1.9
87.00743	1.2
89.02309	2.4
96.00986	0.5
96.04643	0.5
96.27184	0.5
97.06464	1.1
98.20554	1.1
101.02322	4.2
104.90022	0.6
111.34549	0.6
113.02299	1.7
125.09628	0.8
127.11214	1.3
144.80850	0.7
145.04950	0.8
151.11218	4.4
161.04466	1.7
169.12265	29.4
170.12589	1.8
171.10190	50.0
172.10518	2.6
179.05470	0.9
180.33072	0.6
213.11275	1.9
231.12364	2.8
235.08162	2.4
253.09444	3.2
269.24792	0.8
277.21710	67.5
278.21985	6.9
303.62863	0.7
397.13437	0.8
449.19980	0.8
467.21185	1.0
709.41650	6.2
710.40717	0.8
727.42725	100.0
728.43030	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	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54825	0.3
59.01249	21.7
60.01583	0.4
63.39422	0.3
70.04018	1.2
71.01253	2.2
73.02818	0.8
85.02829	0.5
87.00758	0.6
89.02311	1.4
100.46620	0.3
101.02317	2.3
106.29490	0.3
107.99350	0.3
113.02323	1.1
119.03391	0.5
125.09566	0.5
127.11159	1.3
129.10579	0.3
145.05008	0.5
161.04486	1.0
162.71689	0.3
168.15901	0.3
171.10175	83.5
172.10530	4.0
191.92628	0.3
209.20271	0.3
222.16542	0.3
235.08176	3.8
253.09241	7.4
259.20862	0.3
277.21707	100.0
278.22040	11.4
407.19220	0.6
432.85010	0.4
513.30786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.2
60.42183	0.2
61.05246	0.2
61.98680	0.2
65.81188	0.2
70.57890	0.3
70.58276	0.3
72.61897	0.2
76.95725	0.2
77.01092	0.2
83.68978	0.2
93.03336	1.1
117.03349	8.9
119.04918	100.0
120.05247	4.0
121.02837	1.9
123.04406	0.5
128.11432	0.2
133.02870	0.4
145.02852	27.8
146.03185	1.4
149.02344	0.3
162.03133	2.9
163.03922	69.0
164.04262	3.0
165.01851	0.2
177.01852	1.1
177.05493	0.4
179.03410	0.2
180.04143	0.3
192.04245	0.9
193.05061	0.3
194.05786	0.2
195.06581	0.2
201.11246	0.5
207.06578	0.8
346.88205	0.2
371.11511	0.9
503.47003	0.2
520.45782	0.2
525.90607	0.2
581.20325	2.8
582.20526	0.5
727.23889	7.4
728.24188	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	727.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16433	0.3
59.01219	0.3
61.02639	0.3
61.98704	1.0
72.35387	0.3
81.16026	0.3
88.98665	0.5
92.09842	0.3
93.03337	1.6
117.03351	16.4
118.03698	0.7
119.04913	100.0
120.05244	4.2
121.01965	0.5
121.02844	8.7
122.03130	0.5
123.00778	0.3
133.02812	0.3
138.03163	0.6
139.00270	0.5
140.03754	0.3
143.51253	0.3
145.02853	30.7
146.03215	1.7
163.03912	77.0
164.04236	4.1
175.03944	0.3
177.05481	1.2
201.05481	0.5
203.03365	0.4
211.13371	0.5
261.09293	0.4
269.00912	0.4
299.05585	0.6
308.02921	0.4
309.04160	0.4
311.09055	0.5
323.09152	0.4
324.06335	0.7
335.09048	0.6
337.07184	0.6
339.08774	1.7
353.10361	0.5
354.11102	1.5
383.07715	0.7
398.10114	0.6
413.12079	1.1
441.11728	0.6
485.12549	1.0
501.15244	0.4
515.16730	1.2
531.16278	0.5
533.18121	1.0
545.18176	35.2
546.18604	6.2
581.19916	0.5
603.18756	0.5
679.22217	0.5
709.22809	4.0
710.23090	1.3
727.23895	13.4
727.34253	0.6
728.24207	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	727.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.5
61.98708	1.4
71.01265	0.3
71.32356	0.4
78.95796	0.3
89.03835	0.3
91.05379	0.3
93.03316	1.7
100.72848	0.3
104.12421	0.3
107.04914	0.3
117.03346	31.0
117.72639	0.3
118.03686	0.7
119.04912	100.0
120.05246	4.2
121.02856	2.3
122.78837	0.3
123.00771	1.2
123.04419	0.6
133.02837	0.6
133.06415	0.4
137.02336	0.4
138.03090	0.8
138.49374	0.3
145.02852	66.5
146.03188	2.7
150.03151	0.4
151.00270	4.2
152.01074	5.7
153.01637	0.3
153.05533	0.3
161.02336	0.4
162.03036	0.4
163.03914	64.6
164.04253	3.1
165.01822	0.5
166.02617	6.6
167.03400	2.8
171.10226	0.3
175.03906	0.8
177.01837	0.5
177.05501	1.7
178.02643	0.3
180.04196	0.3
181.04962	3.6
187.03897	0.3
188.04706	0.4
195.06604	0.6
201.11264	0.5
203.03397	0.4
209.11768	0.4
211.13379	0.3
221.07936	0.3
287.05630	0.4
299.05737	0.5
302.08026	0.4
317.10214	0.5
338.11774	0.3
339.08652	0.8
340.09299	0.4
354.10910	0.5
369.09579	0.4
397.13336	1.0
415.14420	0.6
531.16541	1.1
533.18549	0.5
545.18213	10.6
546.18347	1.9
560.85187	0.3
563.19348	1.5
581.20325	2.2
582.19269	0.4
709.22681	1.1
727.23889	58.1
728.24225	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	727.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
61.98706	0.5
71.00787	0.2
71.01262	0.2
71.04910	0.2
93.03327	1.2
101.02340	0.1
117.03349	13.3
118.03684	0.5
119.04913	100.0
120.05255	4.1
120.06135	0.2
121.02841	3.2
123.00798	0.1
123.04398	0.7
124.17004	0.1
132.05681	0.2
133.02858	0.6
133.06480	0.3
134.03558	0.3
137.02310	0.2
142.00937	0.2
145.02850	38.3
146.03185	1.6
149.02338	0.2
151.00270	0.2
152.01041	0.2
158.23746	0.1
161.02333	0.4
161.05971	0.8
162.03139	3.2
163.03914	65.4
164.04247	3.2
165.01816	0.4
166.02623	0.3
171.10161	0.2
176.04712	0.2
177.01860	1.2
177.05443	0.5
178.02538	0.3
179.03397	0.5
180.04105	0.3
181.04990	0.2
181.12164	0.3
192.04208	1.1
193.04974	0.4
194.05762	0.4
195.06555	0.4
197.11801	0.2
199.09625	0.3
201.11177	0.9
205.12305	0.3
207.06551	0.8
207.10193	0.6
209.08086	0.5
223.13368	1.5
223.89191	0.1
225.11255	1.2
243.12244	0.2
253.09352	0.3
307.13519	0.2
307.19287	0.2
309.20752	0.2
327.12329	0.2
345.65326	0.2
353.10266	0.2
371.11346	0.7
409.13116	0.3
545.18103	0.2
581.20245	3.9
582.20526	0.6
583.21179	0.2
667.33197	0.6
727.23901	10.0
728.24408	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	727.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07124	0.3
71.01614	0.3
71.01939	0.7
77.08103	0.3
79.65464	0.3
85.75359	0.3
85.85322	0.3
90.82030	0.3
93.03355	1.3
111.96484	0.3
117.03348	15.7
118.03652	0.5
119.04916	100.0
120.05249	4.2
121.02862	1.4
123.00776	0.3
133.02843	0.3
135.69861	0.3
138.03142	0.7
145.02852	33.1
146.03183	1.6
162.03143	0.5
163.03917	85.9
164.04257	4.4
177.05475	1.0
186.03177	0.3
189.85193	0.3
192.02785	0.3
201.05556	0.5
293.04727	0.4
298.04666	0.5
299.05612	0.4
309.04089	0.5
311.09119	0.5
319.15311	0.4
324.06372	0.6
338.01791	0.4
339.08737	1.6
354.10953	1.3
358.12463	0.4
361.19855	0.3
369.09836	0.4
398.10001	0.8
413.12411	1.0
485.12424	1.2
515.17102	1.2
524.17389	0.3
531.16699	0.9
533.17957	1.4
545.18164	40.0
546.18488	7.1
563.19116	0.8
679.22186	0.7
709.22919	4.3
710.23297	1.0
727.23944	16.2
728.24152	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	727.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
61.98700	1.5
63.18757	0.4
71.01263	0.6
78.21903	0.3
88.98696	0.6
93.03339	1.3
117.03348	26.3
118.03699	1.1
119.04915	100.0
120.05240	5.6
121.02866	2.2
123.00757	0.8
123.04392	0.6
133.02835	0.6
135.04361	0.6
138.03149	0.8
145.02853	56.2
146.03214	1.6
147.04370	0.6
151.00279	5.4
151.29274	0.4
152.01067	5.1
153.01814	1.0
153.05428	0.4
159.99529	0.5
162.03145	0.5
163.03918	64.4
164.04262	3.7
165.01855	0.5
166.02614	7.8
167.03410	2.8
175.03943	1.1
177.01868	0.4
177.05528	1.8
180.04184	0.5
181.04977	3.9
195.06586	0.4
203.03363	0.5
209.11797	1.3
211.13309	1.8
228.04141	0.4
253.09178	0.5
262.33014	0.4
274.74066	0.4
280.51459	0.4
287.05463	0.6
302.08142	0.7
303.08832	0.6
317.10318	1.4
362.13632	0.4
385.12927	0.8
415.13898	0.5
563.19293	3.9
564.19843	0.7
581.20422	2.6
727.23926	69.0
728.24268	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	727.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.3
61.03630	0.4
61.98709	3.0
71.01247	1.5
71.52428	0.5
72.33092	0.5
83.01279	0.7
84.38029	0.4
84.65189	0.4
85.65956	0.4
88.98669	1.2
93.03342	2.2
95.01285	0.6
107.04897	0.6
108.02124	0.6
111.00734	1.1
113.02329	0.6
115.00240	1.2
117.03353	8.4
119.04916	47.8
120.05260	1.9
121.02842	100.0
122.03160	3.8
123.00771	1.7
124.01556	0.7
125.02335	1.0
127.00275	1.2
135.04408	1.7
136.98749	0.6
138.03186	0.6
139.00275	3.1
145.02850	17.1
146.03262	0.8
147.04474	0.7
161.02338	0.7
162.03107	0.5
163.03920	38.1
164.04265	1.8
176.62785	0.5
177.01790	0.7
177.05542	1.5
188.01181	0.5
189.01881	0.5
190.02643	1.2
191.03450	1.5
192.04080	0.6
197.11833	0.5
201.11241	1.7
205.01483	0.7
205.04927	0.7
206.02115	0.8
206.05693	0.6
209.11609	0.8
210.06793	1.0
211.07588	7.5
211.13309	0.7
212.07903	0.8
221.04602	0.9
235.02422	3.6
236.03227	2.5
246.72183	0.5
250.04816	4.8
251.05406	2.6
265.07239	0.5
279.06580	1.3
289.18158	1.0
293.21173	5.6
294.21362	0.6
295.05838	1.0
310.08286	1.1
311.09268	0.8
325.10938	0.8
339.08777	0.9
353.06339	0.5
354.11108	0.5
355.08102	0.6
368.41910	0.4
373.09430	3.0
374.09695	0.5
381.52100	0.5
397.13202	2.7
415.14456	2.4
441.11850	5.8
442.12308	1.0
501.15555	4.6
502.16241	0.7
515.15839	0.9
545.18152	6.7
546.18652	1.2
563.18335	2.0
727.23114	9.9
727.33978	2.2
728.24731	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00968	0.5
52.79496	0.5
57.03310	2.3
59.01244	6.0
60.73806	0.4
69.03329	0.6
70.86243	1.0
71.01251	5.6
71.98660	0.5
72.99194	0.6
73.02819	1.6
75.00751	1.6
78.95791	2.3
83.04906	0.9
84.94161	0.4
85.02829	1.6
89.02337	2.7
97.06458	1.2
99.00778	0.6
101.02327	4.4
108.44573	0.5
113.02307	2.5
119.03397	0.6
123.08002	0.9
125.09603	2.3
139.11189	2.0
141.12758	2.0
152.99478	2.4
155.10699	0.8
161.04431	1.3
163.11238	0.5
167.10690	4.6
171.00650	0.5
171.10196	3.9
177.33716	0.5
185.11755	100.0
186.12132	4.0
201.11295	2.3
209.11765	6.9
210.12160	1.4
211.09645	2.0
211.13466	0.7
218.42308	0.5
221.82993	0.5
226.88713	0.7
227.12836	3.9
228.13132	1.8
229.10754	2.3
229.13284	1.0
235.08136	1.7
253.09288	6.1
253.21600	0.5
254.09660	0.8
260.41870	0.5
262.90204	0.6
267.30283	0.5
277.21713	36.6
278.22055	6.9
279.22745	2.6
390.18097	0.5
421.21063	0.6
447.18958	1.5
465.19717	2.3
471.16382	1.0
588.51074	0.5
707.38055	1.7
725.41107	87.3
726.41516	20.4
733.08154	0.6
741.57300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12390	0.7
55.77828	0.5
57.03330	4.1
59.01252	6.6
61.98698	0.7
69.03307	1.1
70.67294	0.7
71.01249	5.6
71.04903	0.7
73.02825	1.3
75.00726	1.4
75.25002	0.6
78.95777	5.3
81.58637	0.6
83.01235	0.8
83.04903	1.2
85.02821	2.0
86.13411	0.7
87.00736	1.6
89.02313	2.5
93.38033	0.6
95.01308	0.6
97.06464	2.1
99.58147	0.5
101.02327	4.4
109.03970	0.6
113.02316	2.3
123.08038	1.8
125.09622	4.0
139.11203	3.8
141.12775	0.8
152.99483	5.4
155.10597	0.7
161.04384	1.2
167.10703	5.9
171.10155	1.7
185.11749	56.9
186.12054	2.2
199.13362	0.9
201.11258	3.8
209.11772	5.5
210.12013	0.8
211.09677	1.1
225.11115	0.8
227.12860	5.1
228.13158	2.6
229.10805	1.6
229.13264	0.8
235.08186	2.2
253.09305	5.3
261.13458	0.8
277.21707	74.8
278.22046	8.9
279.23199	4.7
308.18317	0.7
447.18546	1.4
465.19910	1.2
471.16476	1.8
489.17459	1.9
496.17142	0.8
662.36151	0.7
707.37842	1.8
725.41046	100.0
726.41425	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32736	0.5
57.03306	1.3
58.98669	0.5
59.01248	15.7
61.98704	5.0
69.03314	1.9
71.01251	3.5
83.04857	0.8
85.02823	1.1
85.59373	0.7
89.02329	1.9
99.01540	0.6
101.02316	2.9
113.02281	1.5
119.04954	0.9
121.02853	3.0
145.04973	0.6
149.09625	0.7
161.04449	1.3
163.03915	1.2
167.10712	3.8
169.12247	1.2
179.10751	1.6
179.14317	3.9
195.13834	10.3
196.14185	0.7
197.11751	15.5
198.12167	0.9
205.12289	9.2
206.12633	1.1
209.04472	2.3
211.13298	0.9
223.13338	100.0
224.13695	6.5
235.08215	3.0
253.09254	5.6
289.07217	0.6
291.19531	1.2
298.36481	0.6
309.20648	4.0
367.26392	0.7
393.88031	0.7
429.26392	1.0
441.21313	2.3
459.22366	13.9
460.22632	1.7
515.99469	0.7
647.34631	2.0
665.35681	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	725.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.92883	0.5
57.03318	1.3
58.10143	0.5
59.01249	8.5
61.98710	1.7
69.42278	3.7
71.01250	9.9
72.99188	1.0
73.02821	2.1
75.00753	1.2
83.01273	1.1
83.04904	0.5
85.02821	7.9
87.00742	0.7
89.02303	3.6
89.03849	1.9
93.03349	0.7
95.01239	1.3
97.02845	0.7
99.00755	1.1
101.02319	5.2
106.04111	0.7
109.02860	1.2
113.02340	3.2
117.03350	6.3
119.03359	1.2
121.02835	1.0
122.94328	0.5
123.08048	0.9
124.01538	1.2
125.02312	1.8
132.02057	22.9
133.02783	1.8
134.03627	74.9
135.04034	2.3
136.01561	0.7
137.02324	1.6
141.71974	0.5
143.03369	1.5
149.02327	0.9
149.05998	6.4
150.03189	0.6
151.00240	0.8
151.03870	0.5
153.01862	0.6
160.01563	87.6
161.02014	4.4
161.04463	2.8
163.11163	0.7
165.01862	0.7
165.05527	0.7
173.04518	0.8
175.03915	100.0
176.01079	0.6
176.04245	5.7
176.48985	0.5
177.01862	1.2
178.02606	2.9
179.03391	0.8
189.12767	1.5
191.01836	0.9
193.04984	75.8
194.05331	3.8
207.13849	1.2
213.57640	0.5
237.05504	1.4
263.07489	0.6
285.03967	0.8
295.65421	0.7
315.05112	0.7
356.49124	0.6
372.29871	0.6
531.25043	0.7
545.23834	1.4
563.24963	6.6
564.25580	0.9
725.30188	71.3
726.18091	1.0
726.30481	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	725.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61798	1.0
59.01252	7.8
61.98713	7.0
71.52452	1.3
72.63264	1.2
75.00756	2.5
79.95618	1.3
93.03334	4.3
96.95905	2.6
117.03349	76.1
118.03635	1.7
119.04919	94.2
120.05252	3.5
121.02845	46.1
122.03193	1.7
123.04407	16.5
133.02855	11.1
134.03668	5.2
143.04964	1.5
145.02850	48.6
145.06555	1.6
146.03188	1.6
149.02379	1.5
162.00322	1.3
162.01750	2.5
162.03136	82.9
163.03915	100.0
164.04251	5.5
171.10205	1.8
177.01894	3.3
177.05469	1.9
178.02390	1.5
192.04202	3.5
192.45206	1.2
197.11765	4.7
198.41496	1.3
207.06502	2.6
208.03761	1.6
209.11775	2.4
211.13377	1.7
223.06119	2.5
236.23027	1.3
253.09218	1.4
270.08929	2.5
274.64218	1.2
293.08099	1.7
294.08932	2.6
325.10834	3.6
341.10159	2.5
353.10031	1.6
369.09753	23.4
370.10330	2.9
561.17511	17.6
562.17920	4.7
579.18494	9.4
580.18768	1.6
725.22742	9.6
725.34802	1.5
726.22614	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	724.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65535	1.7
50.78381	1.9
51.80621	1.6
57.03316	2.7
59.01250	15.2
61.98703	35.3
63.19897	1.5
63.69048	1.6
65.42738	2.0
71.01250	11.7
72.99154	1.8
73.02821	2.2
78.98497	1.8
79.95602	3.0
80.96387	8.3
83.01250	2.5
85.02830	6.4
87.00745	5.5
89.02308	5.9
95.01266	1.9
97.02794	1.9
97.06502	4.2
99.00786	1.7
101.02312	10.7
108.04456	6.4
109.02789	1.7
113.02329	5.1
119.04928	7.8
123.08078	2.2
125.09617	24.3
126.82706	1.8
135.62776	1.7
136.14479	1.7
145.02864	2.8
160.01494	2.0
163.03906	3.9
197.11711	3.9
209.11800	5.8
211.13315	4.2
225.00706	2.1
230.15457	4.2
230.29492	2.1
244.16971	6.2
256.17038	20.3
274.18097	2.8
282.15073	3.8
300.16241	9.0
382.27658	3.0
408.25507	4.0
426.26413	12.3
432.27292	2.4
444.27505	17.4
511.18710	2.7
512.18726	4.2
546.29974	2.1
662.35223	8.8
680.36249	2.9
694.34448	7.8
706.34460	3.1
724.35388	100.0
725.35400	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35466	0.1
55.01768	0.2
57.03323	0.3
58.00475	0.2
59.01250	4.1
68.03729	0.1
69.03329	0.2
69.33005	1.0
71.01249	3.5
71.04883	0.3
72.99194	0.1
73.02829	1.0
77.70778	0.1
79.21586	0.1
80.02550	1.0
81.03319	0.9
82.03642	0.2
83.01263	0.5
83.04890	4.5
84.02040	0.6
85.02821	0.7
87.00761	0.6
89.02315	2.2
95.01260	0.2
95.04932	0.7
97.02842	0.2
99.00777	0.3
100.06916	0.1
100.71896	0.1
101.02320	3.0
109.06473	0.3
113.02340	1.2
119.03374	0.4
123.79458	0.1
125.02347	0.1
125.05973	0.3
133.04974	0.2
135.08043	0.6
143.03366	0.3
145.04932	0.4
156.72345	0.2
161.04468	1.4
163.11189	3.8
164.11563	0.2
165.12764	1.8
169.04912	0.1
179.05548	0.4
181.12280	0.7
183.13821	0.2
191.10690	0.8
197.11752	0.1
207.10181	0.2
208.10562	0.2
209.11765	100.0
210.12102	5.9
211.13364	1.0
225.11211	0.3
227.12833	10.5
228.13197	0.6
233.22786	0.2
235.08203	3.4
236.08424	0.2
253.09250	8.9
254.09608	0.4
259.20578	0.2
275.20297	0.3
277.21704	75.8
278.22061	6.5
293.21252	0.5
445.20770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01247	11.2
61.98698	9.6
69.26546	15.6
71.01250	8.4
73.02833	2.0
75.00735	2.4
78.95787	2.2
81.03326	2.6
81.62081	1.7
83.04893	4.8
85.02814	12.9
85.91351	2.3
87.00724	3.1
89.02311	5.9
96.95885	3.4
97.02838	2.0
98.19764	3.9
101.02330	5.4
109.02811	2.2
113.02343	7.3
119.04863	2.4
125.02341	3.5
129.01814	3.2
135.04453	2.6
137.02296	2.9
160.01559	3.2
161.02307	4.3
163.03896	2.3
163.11234	3.0
165.12773	3.3
167.03380	3.4
169.12280	4.1
171.10188	8.7
191.01814	3.6
201.11246	25.4
207.10172	2.3
209.11766	100.0
210.12082	8.2
222.47319	2.0
223.06186	2.2
225.11089	2.6
227.12842	12.6
236.96931	2.0
253.09245	11.5
257.75745	1.9
259.15512	4.4
281.46527	2.1
285.04221	2.6
328.59509	1.9
428.94980	2.2
445.20807	2.4
723.34637	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.8
59.01249	15.1
61.98697	0.9
68.11996	0.7
70.46329	0.6
70.81211	0.7
71.01257	7.9
71.53265	1.0
73.02801	1.0
80.02559	1.4
81.03324	2.8
83.01254	1.3
83.04895	3.0
85.02824	1.6
87.00758	1.1
89.02317	5.5
95.01247	1.0
95.04902	3.4
97.02815	7.2
97.06486	1.6
99.00737	4.3
101.02331	6.4
106.04075	0.8
107.04938	1.0
109.06478	28.9
110.03616	2.4
111.04369	0.8
111.08080	0.8
113.02304	3.4
119.03386	1.4
121.06469	2.3
125.09585	2.4
125.74646	0.6
133.06459	0.7
135.08046	3.1
136.05305	0.7
139.34256	0.7
142.02634	2.9
161.04478	2.8
161.09631	2.0
163.11195	19.3
164.11528	1.2
179.05580	2.2
179.10690	1.9
181.12242	6.5
189.09142	4.3
197.11674	1.1
207.10201	93.4
208.10529	5.7
209.11763	2.6
211.13358	3.2
225.11270	84.1
226.11623	5.8
235.08231	2.9
243.12321	3.0
253.09262	14.5
275.20203	1.5
277.21713	100.0
278.22049	7.3
291.19647	1.1
441.33359	0.9
443.19089	7.1
444.19568	1.1
451.59540	0.9
461.20303	20.2
462.20599	2.7
703.40302	1.1
715.20691	0.8
721.41711	32.8
722.42078	7.9
722.84778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
55.69658	0.5
57.03324	0.6
59.01254	4.8
61.98686	0.5
71.01253	3.8
71.04888	1.2
71.53477	0.5
72.77418	0.5
73.02796	1.1
78.95779	0.8
79.17439	0.4
81.03336	0.7
81.15783	0.5
83.01247	1.2
83.04931	0.7
84.36835	0.4
85.02815	1.4
87.00745	1.1
88.50575	0.4
89.02328	2.3
95.04925	0.5
97.02832	7.7
97.06468	0.8
99.00755	11.7
101.02322	2.5
101.47552	0.5
104.73850	0.5
109.06473	1.8
110.03622	2.0
113.02317	2.0
119.03387	1.1
123.04332	0.6
123.08000	0.6
125.02335	1.5
125.09600	2.9
129.36996	0.5
135.08035	1.3
136.05183	1.7
142.02631	2.7
149.04639	0.5
161.04472	0.6
163.03836	0.5
163.11197	7.7
181.12251	15.8
182.12631	1.0
197.11703	0.8
198.52660	0.4
199.13321	1.0
207.10196	52.1
208.10551	3.6
225.11267	100.0
226.11591	6.2
235.08102	2.3
243.12340	13.5
244.12737	0.8
253.09227	3.2
277.21707	82.1
278.22064	7.4
281.13916	0.8
299.14957	0.7
317.15811	1.2
443.19199	4.6
461.20270	32.4
462.20654	3.5
721.41650	21.4
722.42310	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
59.01242	4.0
61.98699	0.5
71.01239	3.5
71.04886	1.0
73.02811	0.7
78.95789	0.5
81.03313	0.6
83.01267	0.4
84.20903	0.4
85.02815	1.1
87.00743	1.2
89.02319	1.2
97.02834	4.8
97.06450	0.9
98.20568	0.9
99.00757	7.6
101.02308	2.5
109.06492	1.1
110.03642	1.0
113.02322	1.6
123.08083	0.8
125.02345	0.7
125.09619	2.5
135.08072	0.5
136.05148	0.6
142.02620	1.4
145.04929	0.5
161.04544	0.4
162.98120	0.4
163.11192	5.0
179.05626	0.4
179.10619	0.4
181.12245	8.6
182.12576	0.5
199.13361	0.7
207.10199	30.2
208.10519	1.7
225.11267	57.2
226.11629	3.4
227.07187	0.4
229.27794	0.5
235.08255	2.3
243.12350	9.3
253.09270	3.5
255.23442	0.5
259.20584	0.6
267.12231	0.5
277.21710	100.0
278.22070	8.9
364.12436	0.4
405.17804	0.5
443.19122	4.2
461.20258	6.3
462.20706	1.2
513.30542	0.5
515.14337	0.4
577.37238	0.6
662.86322	0.4
707.12341	0.5
721.41632	17.7
722.42004	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78794	0.8
55.01756	0.9
57.03312	2.1
57.35528	0.7
59.01244	5.6
59.68189	0.7
61.98374	1.7
61.98701	32.5
71.01260	5.3
71.04906	2.3
71.53342	0.8
73.02818	1.6
80.02550	1.2
80.96386	1.0
81.03333	1.3
83.01262	0.9
83.04897	3.7
84.02040	0.8
85.02820	1.7
87.00755	0.9
89.02313	2.7
95.04942	1.1
97.02822	1.9
97.06461	2.9
99.00751	16.9
101.02341	4.7
109.06500	1.5
113.02329	1.8
119.04909	2.5
121.02822	0.7
123.08035	1.8
125.02360	1.4
125.09602	6.4
127.11121	0.9
135.08005	0.9
147.34256	0.7
151.00221	1.2
157.50792	0.8
161.02411	0.8
161.04396	1.2
163.03922	2.1
163.11198	11.7
165.12762	1.4
171.10210	3.2
181.12256	18.0
197.11778	1.3
199.13335	9.6
205.71265	0.8
207.10196	20.1
208.10486	1.2
209.11754	38.7
210.12132	2.4
225.01057	0.9
225.11258	37.8
226.11681	2.6
227.12878	3.3
243.12326	19.7
244.12798	1.2
253.09306	2.5
348.44791	0.8
400.67542	1.0
461.20215	2.7
479.21249	6.9
571.30536	1.1
671.32874	3.3
689.33856	100.0
690.34222	22.6
721.37158	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71640	1.6
55.87490	1.2
57.03320	2.8
57.55561	1.3
59.01253	12.9
60.14486	1.2
61.98705	15.6
70.86179	2.5
70.86528	1.9
71.01247	10.2
71.04897	4.4
73.02806	1.6
79.62524	1.4
79.95636	1.4
80.02591	1.9
80.96392	5.5
81.03345	2.3
83.01247	2.2
83.04897	5.8
85.02818	3.8
87.00748	1.5
89.02327	4.3
94.97906	1.6
96.95876	2.4
97.02845	4.6
97.06446	3.0
98.80262	1.3
99.00762	17.0
101.02329	5.2
109.06492	1.4
113.02341	2.7
119.03438	2.4
122.12617	1.8
123.08050	1.6
125.02338	2.8
125.09640	6.8
135.04408	2.0
161.02238	1.4
161.04477	2.8
163.11197	11.8
165.01903	1.7
165.12749	3.4
169.12292	2.9
171.10223	2.3
181.12250	15.8
187.13419	1.7
197.11761	3.5
199.13345	23.9
207.10197	33.1
209.11772	74.0
210.12138	3.3
225.11269	56.7
226.11620	3.7
227.12953	9.7
235.08072	1.9
243.12387	15.7
253.09253	5.8
349.18530	2.6
461.20148	8.0
479.21225	2.8
631.42389	1.5
653.32239	2.8
653.94647	1.4
671.32861	5.7
677.33948	6.2
689.33856	100.0
690.34314	17.3
721.37109	37.4
722.37177	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.2
61.70839	0.1
61.98701	100.0
62.98399	0.2
63.14286	0.1
71.01257	0.1
71.53340	0.1
74.51306	0.1
89.02308	0.1
109.78162	0.1
113.02319	0.1
255.23322	0.2
257.24011	0.1
287.49396	0.1
397.13519	0.1
398.13962	0.1
399.13879	0.2
400.14188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03315	1.1
59.01248	5.7
61.98700	83.6
62.98405	0.5
62.99123	0.5
63.99136	0.9
68.67365	0.5
69.03316	5.5
70.19426	1.8
70.19790	1.0
71.01244	6.3
71.04868	1.3
72.99142	0.6
73.02824	1.2
79.95586	0.7
80.02550	1.2
80.96402	1.6
81.03326	2.2
83.01247	1.5
83.04890	6.0
84.02025	1.2
85.02842	2.4
87.00734	1.2
89.02325	3.0
95.01267	1.1
95.04891	1.4
96.95870	3.1
97.02876	0.6
97.06440	0.7
99.00777	0.8
101.02316	5.3
110.95605	0.5
113.02286	2.8
119.56404	0.6
123.08077	1.1
125.05983	0.9
125.09571	3.2
134.03624	0.7
135.08034	0.8
143.03380	0.8
151.11183	2.3
153.12737	1.6
161.04494	1.7
161.09647	4.6
163.03839	0.6
163.11198	4.2
165.12750	2.5
179.10689	8.0
180.97118	0.5
181.12257	0.7
191.10718	0.9
197.11752	66.7
198.12086	3.9
201.11038	0.6
209.11758	67.7
210.12146	3.9
223.09714	1.8
227.12817	4.7
235.08276	0.8
241.10788	2.8
253.09216	3.9
443.49561	0.5
459.18433	0.7
477.19684	2.6
669.31738	1.0
687.32275	100.0
688.32611	22.0
719.35303	17.2
720.35376	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.1
61.98700	100.0
62.98403	0.3
62.99129	0.1
70.21715	0.1
70.52164	0.1
71.01257	0.1
89.02331	0.2
162.21664	0.1
170.64876	0.1
185.06288	0.1
231.82364	0.1
255.23317	0.2
256.23743	0.2
398.13980	0.1
399.14203	0.2
400.14380	0.1
448.70407	0.1
566.07599	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	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91946	0.6
59.01250	13.3
60.24118	0.6
61.98703	1.3
71.01230	2.9
73.02792	0.7
74.47450	0.6
79.89116	0.5
85.02829	1.3
89.02303	1.8
90.60329	0.5
92.17789	0.6
101.02321	2.3
113.02328	1.3
113.09582	4.5
119.03398	0.8
157.08740	0.8
159.10167	68.6
160.10495	3.7
161.04448	1.4
171.55923	0.5
235.08208	4.4
253.09235	10.8
253.21666	0.6
254.09637	1.0
259.20618	0.7
277.21707	100.0
278.22064	11.5
295.86206	0.7
327.32181	0.6
394.53732	0.6
419.31665	4.1
513.30737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54672	0.5
53.23838	0.5
59.01251	11.2
61.98698	1.1
71.01255	2.1
71.08369	0.7
71.08701	1.0
71.68678	0.5
85.02817	0.6
86.11556	0.5
87.00763	0.6
88.80125	0.6
89.02325	1.8
90.88959	0.5
101.02335	1.8
113.02333	1.4
113.09597	7.1
119.03427	0.6
139.66205	0.6
141.09113	1.1
157.08672	0.9
159.10175	100.0
160.10518	5.0
161.04515	1.3
175.75838	0.6
235.08226	1.8
253.09251	12.9
254.09552	0.8
277.21707	52.3
277.72617	0.6
278.22046	5.2
395.19144	1.8
419.31613	11.1
420.32004	1.7
525.38000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33192	0.4
59.01236	0.7
61.98699	8.4
65.00202	0.8
69.03307	0.5
69.09037	0.4
70.44583	1.3
71.01242	1.0
77.03841	1.0
78.95770	0.5
79.01757	0.6
81.03323	0.8
82.86329	0.4
83.01259	0.7
85.02811	1.7
93.03335	0.6
97.02821	0.6
97.49812	0.4
98.19819	0.5
105.03345	0.9
107.01235	0.9
109.02834	3.0
110.20762	0.4
117.78896	0.4
119.04911	2.0
119.05843	0.4
121.02849	3.3
123.00742	0.7
123.04420	0.5
125.02331	1.9
133.02837	14.1
134.03279	1.0
135.04425	2.4
137.02354	2.0
147.04402	1.5
149.02332	3.9
151.00266	1.0
151.03926	1.1
160.01546	0.6
161.02354	1.9
163.00276	1.7
163.03923	4.2
164.04675	0.9
165.01826	4.2
171.99089	0.5
173.02303	0.9
175.00250	0.4
175.03888	3.4
177.01794	0.8
179.03375	1.1
180.04140	1.1
190.02586	0.5
191.03447	1.7
193.01364	1.6
195.06558	1.8
197.04454	0.7
198.95128	0.5
199.03937	1.5
201.01840	1.3
203.03462	1.0
204.37106	0.4
211.03802	0.5
213.05515	1.7
225.05475	1.1
225.07634	1.7
226.02628	0.8
227.03432	1.1
227.07060	0.8
229.05104	1.0
239.03441	0.6
240.04314	0.7
241.04936	0.9
243.02892	0.7
253.05011	1.1
255.03003	1.0
255.06586	0.7
256.03821	0.6
269.04617	1.5
270.01700	0.5
271.02594	0.9
271.06046	0.9
281.04523	0.9
284.03265	9.0
284.06152	0.8
285.04050	8.2
286.04520	0.7
297.04022	13.5
298.04727	9.3
299.01999	3.2
299.05481	18.0
300.05927	1.5
309.04080	1.9
311.05658	1.7
313.03641	3.3
313.06741	0.6
314.04196	3.3
325.03552	0.9
327.05072	100.0
328.05417	9.7
329.06619	8.3
339.05093	2.1
340.04929	0.5
341.06699	3.0
357.06134	18.4
358.06339	1.6
369.06140	1.9
393.06046	1.3
411.06992	0.6
429.08304	5.7
447.09244	11.2
448.09445	1.2
461.11163	0.6
512.64612	0.5
555.15002	3.0
579.18793	0.5
653.15076	44.2
654.15497	9.9
717.20300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73764	1.5
59.01248	13.7
61.98700	20.8
69.03304	1.9
71.01242	5.1
71.52679	2.1
72.99170	1.9
75.00742	2.1
87.00311	1.8
97.02827	7.5
99.00766	6.7
101.02313	6.4
113.02326	2.1
119.04885	4.3
125.09575	6.3
125.10458	1.8
161.04482	2.0
163.03954	2.4
163.11195	5.3
171.10141	3.5
181.12257	15.2
183.13768	6.2
197.11769	2.7
199.13448	2.6
200.68201	1.7
207.10208	40.6
209.11731	4.6
211.13339	100.0
212.13628	4.4
225.11273	79.3
226.11606	3.6
243.12259	9.8
253.09177	2.8
283.13815	2.0
341.83084	1.8
443.19485	2.2
461.20291	31.8
462.20609	2.6
512.64905	1.9
637.31915	3.3
655.33264	26.4
656.33984	3.7
714.74622	1.9
715.38678	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.9
61.98718	1.2
69.54183	0.8
71.01259	2.1
78.95767	1.4
89.02324	1.2
101.02321	1.4
111.08035	3.2
113.02300	1.2
113.09578	2.9
139.07547	2.5
157.08607	100.0
158.08940	5.7
197.11830	1.3
211.52396	1.0
235.08141	2.1
235.60451	0.8
253.09305	5.1
253.21745	1.8
277.21713	55.3
278.21976	3.8
309.84988	0.9
331.96048	0.8
371.47845	0.9
393.17542	1.6
398.99417	0.8
443.82336	0.8
468.85236	0.8
661.66541	1.0
713.41107	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89515	0.8
55.01751	2.9
56.24263	0.7
57.03313	5.9
61.68637	0.8
63.02254	0.8
67.01765	1.1
69.35543	5.8
81.90116	0.8
83.01254	8.8
84.02032	0.8
85.02819	43.8
89.00194	1.7
93.03321	2.4
95.01241	1.8
97.02819	2.5
99.00732	0.9
102.91756	0.8
106.00506	1.8
111.00760	17.6
117.03345	8.5
118.37548	0.9
119.04912	31.4
121.02840	20.2
123.00756	11.1
127.00253	2.8
129.01826	35.9
130.02205	0.8
133.58002	0.8
136.98737	0.9
137.02313	1.9
138.03116	4.4
143.04880	1.8
145.02844	28.1
147.02858	1.0
147.04453	1.8
151.21626	0.8
153.05466	13.4
154.99751	3.6
157.06505	1.4
159.08093	2.0
160.05124	1.7
163.03908	14.9
164.04192	1.1
166.99768	10.3
173.00836	5.0
182.02116	24.2
183.02449	0.8
185.06010	3.3
187.03915	1.1
187.07584	9.4
188.07898	1.0
197.04480	100.0
198.04793	4.0
203.03474	1.2
203.07076	22.9
204.07376	1.0
213.05476	4.2
231.06602	9.6
237.03040	0.8
237.07732	1.9
249.73669	0.9
257.04535	3.2
265.07132	10.2
275.05591	4.1
309.06134	3.0
327.07056	2.5
349.72757	0.8
371.06100	4.1
389.07144	1.2
578.06921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.4
57.03047	1.3
57.03326	19.1
58.56958	0.5
59.01252	0.6
67.01766	1.1
68.99688	1.2
69.01373	0.5
70.54780	1.5
71.01255	2.6
72.99175	0.6
83.01263	11.0
84.02030	2.1
85.02824	100.0
86.03179	2.1
87.00758	0.8
89.00209	2.2
91.01787	0.9
92.93014	0.7
93.03325	2.8
95.01244	1.7
97.02821	2.2
99.00724	0.6
101.02365	0.8
103.00275	0.7
106.00488	1.6
107.04948	0.6
111.00766	20.2
117.03353	8.0
119.04917	26.6
120.05263	1.0
121.02845	26.0
122.03152	1.0
123.00769	12.3
127.00260	2.3
129.01833	82.0
130.02148	2.1
130.04112	1.1
131.04990	0.5
137.02312	3.3
138.03122	8.5
139.00278	2.5
139.03949	1.2
143.04932	2.5
145.02852	31.5
145.06506	0.9
146.03177	1.7
147.02899	5.9
147.04364	4.2
153.05479	22.9
154.05855	0.9
154.99805	2.3
157.02798	0.7
157.06462	1.0
158.03619	1.5
159.04327	0.7
159.08064	2.6
160.05205	1.3
161.05972	1.8
163.03920	7.6
166.99757	11.9
167.04958	0.7
169.06474	1.3
171.04230	0.7
173.00841	12.1
173.02307	0.7
182.02135	41.4
183.02440	1.5
185.06000	3.4
187.03952	1.5
187.07486	4.7
191.01924	3.6
196.03716	1.2
197.04486	93.4
198.04823	4.7
203.03581	0.7
203.07071	11.7
204.07402	1.2
211.03946	1.2
211.05963	1.1
213.05522	6.9
214.05855	0.7
222.05313	2.1
229.05063	0.6
231.06523	5.3
232.06888	0.7
237.07669	2.2
257.04471	2.4
265.07178	10.0
266.07715	0.6
275.05621	1.8
309.06274	2.1
327.07230	8.0
328.07349	1.1
371.06189	11.6
372.06781	0.8
389.07275	7.2
423.27325	0.6
569.11462	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	713.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84101	0.4
57.03345	0.5
59.31023	0.4
60.86433	0.4
61.98687	2.7
71.01257	0.5
71.53133	0.4
82.14571	0.4
85.02821	0.6
85.27289	0.4
93.03357	1.4
105.45894	0.4
117.03346	6.1
119.04909	100.0
120.05240	3.7
121.02805	1.4
124.01535	1.2
125.02308	0.5
135.04376	0.5
139.03845	0.7
145.02859	13.4
145.16196	0.4
150.06726	0.9
153.01877	0.4
158.76233	0.4
159.04439	0.4
161.02284	0.8
163.03909	72.6
164.04260	3.2
170.37645	0.4
170.88591	0.4
175.03963	0.9
203.03384	0.6
211.07576	1.0
211.13438	0.4
241.01366	0.7
256.03650	0.5
263.43768	0.4
269.00958	0.7
269.04602	0.6
270.01633	2.1
278.05658	0.4
284.03271	2.1
285.04022	3.5
286.04520	0.6
293.04486	0.6
294.05435	1.0
299.05609	4.6
300.06348	1.8
305.04636	0.7
306.05246	0.5
307.06036	0.6
309.07706	0.9
314.07904	1.1
315.08817	0.9
321.04105	0.5
321.07599	0.8
322.04730	1.2
323.05316	0.7
325.07169	0.8
327.08597	0.6
337.07080	3.1
338.07852	0.7
340.05655	0.6
340.09329	0.7
352.09500	1.5
353.10242	0.6
355.08328	1.1
367.11954	1.5
370.10767	0.8
385.13000	1.2
393.13004	0.5
403.13315	0.4
501.14127	1.0
516.14233	1.2
517.14813	0.6
519.16534	1.1
531.16571	37.5
532.16925	6.9
534.15118	0.7
549.17535	8.2
550.18390	1.2
695.21521	3.9
696.21735	1.1
712.39795	1.2
713.22394	13.4
713.35773	0.7
713.40021	1.2
714.22894	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	713.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00469	1.2
59.01249	20.9
60.32850	1.0
61.98701	2.8
69.74850	0.9
71.01260	2.2
71.20243	1.9
78.95783	1.4
89.02290	1.5
100.36062	1.0
101.02313	2.5
111.08018	2.1
113.02276	1.5
113.09616	2.5
114.65476	1.0
119.03445	1.2
139.07545	2.5
152.99545	1.7
157.08607	88.2
158.08949	4.2
159.10184	1.1
235.08148	3.8
250.17526	1.0
253.09189	9.3
255.23257	1.5
256.23477	1.2
267.23483	1.5
277.21719	100.0
278.22076	9.9
388.25946	1.3
514.60846	1.1
713.40167	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	711.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77352	0.4
59.01252	3.0
70.29563	1.0
71.01250	2.2
72.99183	0.4
73.02807	0.5
83.01280	0.3
85.02824	2.2
89.02319	1.9
92.18739	0.3
93.03360	0.4
101.02327	1.9
105.03318	0.7
109.02913	0.3
113.02317	0.9
115.00233	0.3
117.03339	2.1
119.03429	0.7
121.02859	0.3
125.02358	1.4
132.02058	2.1
133.02853	33.8
134.03348	0.7
135.04424	9.5
137.02322	0.8
151.03886	0.6
160.01521	0.3
161.02353	100.0
162.02684	5.1
177.05634	0.4
179.03430	5.1
191.01915	0.9
209.02963	0.9
549.23303	0.7
711.28687	73.5
712.29034	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	711.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
58.00465	0.4
59.01249	6.3
69.03335	0.4
69.32792	2.9
71.01250	4.8
72.99190	0.5
73.02824	1.2
83.01252	1.1
84.02049	0.8
85.02825	14.1
87.00766	0.5
87.13242	0.3
89.02302	1.9
91.95457	0.3
93.03356	0.4
101.02319	3.5
105.03324	0.7
109.02827	0.8
111.00763	0.7
113.02354	2.1
117.03374	2.0
119.03422	0.7
121.02858	0.4
123.04388	0.8
125.02354	1.0
129.01833	2.1
132.02095	1.2
133.02853	33.9
134.03606	1.3
135.04416	12.1
136.04756	0.7
137.02377	1.0
147.02913	3.3
149.02335	0.6
161.02348	100.0
162.02681	4.4
163.11174	0.8
177.01802	0.5
179.03400	6.1
189.12758	0.7
189.67223	0.5
191.01910	6.1
192.02255	0.5
203.03448	0.4
207.13913	0.7
209.02934	0.9
227.06982	0.7
231.21919	0.5
267.48889	0.4
285.03787	0.4
313.10617	0.4
316.99365	0.4
341.10886	0.7
549.12488	3.9
549.22992	0.6
550.12646	1.0
672.79016	0.4
677.46240	0.4
693.27789	0.5
711.28680	58.1
712.28961	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	711.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28500	0.9
62.86475	0.9
71.01264	1.2
85.02909	1.2
90.63837	1.0
101.94085	1.1
107.01253	2.6
109.02840	2.9
121.02872	1.4
125.02332	4.6
130.42607	1.1
133.28534	1.1
137.02248	1.2
151.00296	7.3
151.71118	1.1
163.00340	1.1
172.97200	0.9
175.00278	1.7
177.01834	1.4
187.03877	1.3
199.03951	4.0
201.01891	1.6
215.03339	1.8
221.09492	1.0
223.93686	1.0
226.02620	1.3
227.03488	3.2
228.13217	1.2
229.40221	1.1
243.02844	5.5
255.02940	2.4
271.02469	73.1
272.02838	5.9
299.01956	99.7
300.02527	19.3
301.03543	37.4
302.03888	2.4
343.04202	1.7
349.81454	1.2
462.08008	21.7
463.08841	15.6
464.09195	1.4
471.45770	1.4
505.10092	13.9
506.10059	2.4
624.86749	1.1
625.13861	1.9
667.15155	100.0
668.15399	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	711.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
57.03325	11.8
59.01248	8.8
68.99692	0.7
71.01261	6.5
71.24608	0.9
72.99178	1.9
73.02831	1.3
75.00754	1.6
81.35973	0.5
83.01247	3.0
84.02039	2.8
85.02822	100.0
86.03165	1.9
87.00746	1.9
89.02303	2.0
93.03345	1.9
99.00741	0.9
100.91677	0.5
101.02325	3.1
103.00263	1.9
109.02863	1.5
111.00749	4.1
113.02333	1.4
115.00227	1.0
115.01686	0.7
115.81824	0.6
117.03342	1.3
120.97282	0.6
123.04387	0.7
125.02357	2.6
129.01826	17.2
132.02039	1.1
133.02850	17.5
134.03629	1.0
135.04411	10.6
137.02327	1.2
147.02893	26.8
151.00291	0.6
151.23087	0.5
153.01843	1.0
160.01590	0.6
161.02351	52.0
162.02733	1.8
167.03433	1.0
173.00865	3.7
173.04422	0.6
175.03873	1.1
179.03416	6.9
183.07994	0.6
186.48747	0.5
187.04013	0.9
191.01897	54.1
192.02284	1.6
209.02963	3.7
219.06609	0.6
227.07109	5.0
313.10721	2.2
325.03687	0.6
341.10962	0.7
350.65558	0.6
357.09824	1.0
487.11810	0.8
531.11407	1.9
549.12476	37.0
550.12500	5.5
711.28662	29.5
712.28778	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	709.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	6.2
59.01240	8.8
69.03327	12.3
71.01252	7.0
71.53625	5.1
81.03330	22.4
83.04890	60.2
85.02824	46.9
87.96435	3.7
97.02784	3.9
99.00792	4.1
100.01545	3.9
101.02318	5.7
109.02811	4.7
113.02398	4.2
125.02318	6.1
125.07104	6.3
129.01880	7.2
133.02818	17.0
134.03625	7.2
135.04408	18.2
137.02313	9.6
147.02855	5.4
161.02365	38.7
167.03354	6.6
175.03967	7.0
177.01883	5.5
179.03357	12.6
185.00859	7.5
191.01884	15.5
205.04988	4.4
207.14978	6.3
209.02962	9.7
224.17603	16.1
225.16127	31.0
285.03973	12.6
299.02206	6.9
299.05484	4.6
336.77740	4.3
383.07819	4.5
383.40158	4.4
385.08447	16.0
447.09195	4.7
450.34079	9.7
451.33279	19.3
471.92651	4.9
479.06909	4.3
547.14606	12.2
559.39984	5.9
577.40936	8.3
595.41895	8.5
646.46362	5.6
673.46478	63.0
674.46515	18.6
675.47955	54.1
676.48651	41.1
677.49249	36.4
691.47522	100.0
692.48004	24.6
709.18579	7.6
709.47858	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.3
57.87642	0.5
59.01245	5.4
67.83707	0.5
69.03310	0.6
71.01255	4.3
71.20339	0.8
73.02830	0.8
78.95773	14.3
83.01273	0.7
83.04897	2.7
85.02836	1.4
87.00754	1.6
89.02303	2.0
95.04905	1.8
96.96830	2.0
97.06457	5.9
101.02316	3.7
113.02332	1.8
125.09631	1.6
127.11146	1.4
145.04906	0.7
149.09587	0.9
150.97897	0.7
151.11182	15.6
152.11490	1.0
152.99487	22.3
161.04420	1.0
163.11166	1.2
165.09126	0.6
165.12750	0.6
169.12253	39.5
170.12581	2.6
171.00566	2.0
171.10162	0.6
181.12106	0.5
195.10199	3.7
199.09727	0.8
201.11255	20.0
202.11615	1.2
209.11768	22.8
210.12097	2.2
213.11246	6.6
227.03157	1.4
227.12991	2.6
235.08150	1.9
253.09230	3.1
253.21721	4.2
254.09650	0.6
255.23138	0.7
260.32446	0.5
277.21710	48.0
278.22000	4.6
281.41855	0.6
309.33728	0.5
363.12283	0.7
381.13239	1.2
431.18988	2.7
449.20197	3.4
455.16916	5.0
473.17911	21.9
474.18594	1.7
691.38275	3.2
709.41162	100.0
710.41455	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	709.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46495	0.3
53.41673	0.4
59.01247	1.3
61.98700	1.4
63.11851	0.3
69.64990	1.6
70.30376	0.4
71.01245	0.6
74.82084	0.3
75.00750	0.6
78.95784	0.4
85.02796	0.4
93.03328	1.3
98.20467	0.6
99.29229	0.4
117.03349	9.0
119.04910	100.0
120.05250	4.6
121.02856	0.5
133.06447	0.3
145.02850	17.0
146.03204	0.8
146.65343	0.3
152.99570	0.4
163.03912	51.6
164.04309	1.9
177.05461	1.4
209.11758	2.1
211.13330	0.8
238.02129	0.4
249.05577	0.4
253.08925	0.4
264.04282	0.4
276.04324	0.5
278.05737	0.5
291.06552	0.8
292.07413	0.5
304.07330	0.5
305.04703	0.8
307.06094	1.0
319.05911	1.7
320.06894	1.8
322.08377	0.5
335.09323	1.9
336.09641	0.5
404.90820	0.4
439.11588	0.6
445.20700	0.4
513.15649	1.6
545.18164	11.3
546.18372	1.5
563.18787	0.5
665.37781	0.7
709.22815	27.9
710.23108	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01247	5.2
69.03314	0.7
69.40073	1.1
69.40476	3.3
71.01250	3.7
73.02805	1.2
74.72601	0.6
78.95773	15.9
83.01233	0.6
83.04895	2.1
85.02824	1.0
87.00771	0.7
89.02335	3.8
95.04882	0.9
96.96846	1.4
97.06451	3.1
101.02342	4.4
113.02322	2.1
113.42414	0.7
119.03410	0.8
125.09611	2.1
127.11182	1.5
151.11192	10.8
152.11475	0.9
152.99487	26.2
153.99873	1.0
155.10634	1.3
161.04443	1.1
163.11198	1.1
165.09131	0.7
165.12813	0.9
169.12251	83.2
170.12579	5.0
171.00534	2.0
195.10201	1.9
198.88605	0.7
201.11259	24.7
202.11630	1.5
202.30423	0.6
209.11760	23.5
210.12175	2.2
213.11282	10.9
227.03204	2.0
227.12851	2.6
235.08148	1.7
253.09245	2.5
253.21684	4.4
254.21973	0.8
277.21738	21.7
278.22098	1.7
314.49182	0.6
381.13239	1.7
411.14490	0.8
431.18967	3.4
436.52997	0.7
437.15747	0.9
449.20300	8.0
450.20633	1.1
455.16876	6.0
469.39606	0.7
473.17896	23.3
474.18393	2.7
520.75189	0.7
547.36066	0.8
572.60828	0.6
691.37933	3.7
692.39264	1.0
709.41071	100.0
710.41541	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77168	0.7
55.01761	0.6
57.03311	1.1
58.00462	1.3
59.01251	18.7
59.38444	0.5
61.98693	1.1
69.03308	2.1
71.01250	18.1
72.99174	1.5
73.02815	3.2
81.03323	0.7
83.01245	2.0
83.04889	0.7
85.02811	4.3
87.00739	3.9
87.04325	0.7
89.02309	14.6
95.01257	1.3
97.02810	2.4
99.00721	1.0
101.02319	12.8
101.25391	0.6
111.08036	10.4
113.02335	5.6
119.03381	4.3
125.02314	3.9
125.09572	0.7
127.07552	1.2
131.03352	0.8
134.73700	0.6
137.09602	0.8
142.53345	0.6
143.03400	2.5
145.02829	0.9
149.04407	0.7
151.11115	0.8
161.04445	2.6
163.11075	0.9
169.12221	4.8
170.12720	0.6
171.10152	1.8
179.05530	4.8
181.12248	1.2
183.13795	1.1
185.11835	0.7
197.11758	47.4
198.12082	2.3
199.13341	3.7
201.11194	1.0
209.11765	5.3
209.15607	0.6
210.12064	1.7
211.13376	6.9
211.15211	0.9
221.06744	0.8
227.12871	2.2
235.08221	3.4
240.25862	0.7
253.09238	1.6
263.07562	1.2
263.20105	3.5
265.18066	1.4
291.19629	13.2
292.19965	1.3
305.08707	0.7
309.20694	100.0
310.21011	7.8
397.13489	18.0
398.14081	1.4
415.14548	32.8
416.14847	2.2
458.18820	0.6
689.34241	0.9
707.35016	1.8
708.31714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.6
61.98692	3.7
62.51418	0.6
69.03315	0.9
71.01257	3.7
71.23235	0.7
78.95782	1.0
80.02535	1.1
81.03339	1.0
83.01247	0.9
83.04886	4.6
84.81055	0.7
87.00751	1.5
89.02287	2.3
101.02315	1.9
107.04820	0.7
109.06429	1.0
110.87197	0.7
113.02306	2.3
117.03349	4.5
119.04910	2.5
121.02826	1.2
125.02307	0.9
131.32095	0.7
132.02039	0.9
134.03581	1.6
145.02861	15.9
146.03160	0.9
149.02344	2.5
149.05943	1.1
159.10199	1.3
160.01552	5.7
161.02391	1.2
161.04456	0.8
163.03937	1.2
163.11208	3.4
164.04723	1.1
165.12749	1.5
169.12253	2.1
171.10141	2.7
175.03958	4.9
191.10645	1.0
193.04964	1.6
197.11702	1.2
207.10114	1.2
209.11760	100.0
210.12047	4.7
211.13425	1.0
223.06084	2.9
225.11234	0.9
227.12843	14.1
228.13155	0.9
235.08194	2.1
241.14279	1.0
244.19032	0.8
253.09222	6.7
259.15454	9.0
282.00308	0.7
313.06528	0.8
327.21738	0.8
445.20969	1.3
463.34268	2.6
483.13208	1.0
529.15393	1.2
645.18213	0.9
687.32495	1.9
705.20831	1.3
705.33594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03313	2.2
59.01254	8.7
61.98696	4.1
69.03310	2.3
71.01255	7.0
71.04868	3.7
71.52635	1.1
72.99158	1.5
73.02815	1.7
78.95789	1.4
83.01231	1.7
83.04900	2.7
85.02814	4.2
87.00760	2.7
89.02330	4.6
93.03365	1.4
95.04913	1.0
96.95881	2.1
97.02834	5.2
97.06464	3.2
99.00758	20.1
101.02325	5.7
109.06491	2.1
113.02314	3.2
117.03337	2.6
119.03376	1.3
119.04896	2.1
123.08023	1.5
125.02359	2.4
125.09613	9.3
127.11133	1.6
134.03665	2.0
135.04361	1.2
135.08061	1.6
137.02350	2.4
142.02640	1.9
145.02840	8.2
151.03917	1.6
151.11090	1.5
160.01639	1.2
161.02341	1.7
161.04489	1.8
161.09654	2.3
163.03856	2.3
163.11182	8.9
167.03398	1.2
171.10164	4.6
175.03859	2.6
177.01811	1.3
179.10651	3.6
181.12234	15.1
185.11797	0.9
193.04999	2.2
197.11743	24.2
199.13342	10.3
201.11249	10.1
207.10208	28.9
208.10518	1.8
209.11761	18.2
223.09641	1.2
225.11276	43.6
226.11575	2.7
227.12846	1.6
243.12347	24.2
244.12788	1.6
253.09285	3.3
285.04092	1.4
289.07169	1.8
316.00507	1.0
461.20380	1.7
479.21252	9.5
542.21991	1.0
543.28149	2.4
661.31049	6.7
661.40869	1.1
662.30743	1.2
687.32312	22.0
688.32794	5.1
705.33374	100.0
706.33667	26.1
738.05176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
58.04512	0.5
59.01251	5.9
60.23901	0.6
61.61695	0.5
61.98703	35.4
62.92499	0.6
71.01257	6.9
73.02823	1.9
73.34000	0.5
80.02560	1.8
80.96393	1.3
81.03340	0.8
83.01257	0.9
83.04899	5.6
84.02030	0.8
85.02839	2.1
87.00742	1.6
89.02301	3.9
96.80323	0.5
97.06486	0.8
99.00765	1.3
101.02314	5.4
109.06540	0.9
111.08067	1.3
113.02311	3.0
118.95426	0.5
119.03376	1.0
125.02331	0.7
125.05986	0.8
125.09604	1.0
135.08063	1.0
143.03423	1.0
145.02780	0.7
145.04904	1.2
161.04466	2.2
163.11211	3.7
165.12776	9.7
171.10114	0.8
179.05476	1.0
181.12254	1.3
183.13832	100.0
184.14168	6.2
191.10669	0.9
197.11789	0.8
198.63466	0.6
199.13310	2.6
207.10188	1.7
209.11772	73.6
210.12126	5.1
211.13335	5.7
225.11348	3.0
227.12857	14.5
227.15086	0.8
228.13066	0.8
235.08255	3.6
243.12308	0.8
253.09270	6.4
296.77756	0.5
358.35617	0.6
445.20743	2.2
463.21832	5.2
464.22086	0.7
527.38440	0.7
655.33435	1.8
656.33405	0.8
673.34357	91.1
674.34686	19.1
705.37335	6.7
706.37207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77456	0.6
57.03320	1.2
59.01247	6.1
67.01763	0.8
68.99677	0.8
70.03950	0.5
70.67577	1.2
70.67923	0.8
71.01248	7.3
72.99175	2.6
73.02808	1.1
75.00745	10.3
75.28328	0.6
83.01318	0.6
85.02817	11.1
87.00744	4.5
89.02313	1.6
93.03387	0.8
95.01253	2.8
99.00755	5.4
101.05959	68.2
102.06293	1.5
102.90493	0.5
103.00250	1.7
111.00719	0.6
113.02327	12.2
115.00220	1.2
117.01810	1.6
125.02348	1.0
129.01787	0.8
157.01360	0.6
165.43288	0.6
175.02502	0.6
231.05069	1.6
249.06134	9.9
250.06380	0.9
265.57599	0.5
267.07108	0.9
269.09781	0.7
333.11938	1.5
346.42645	0.5
351.12952	100.0
352.13333	7.8
353.50723	0.7
384.87097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57537	1.1
53.36789	1.2
57.03312	1.9
59.01253	7.6
61.98688	6.9
69.03322	2.5
71.01243	5.4
71.04873	3.2
71.24261	1.9
71.24599	1.2
73.02817	1.4
85.02821	2.8
87.00717	2.0
89.02297	3.3
95.04905	2.0
97.02834	2.6
99.00753	10.9
101.02308	4.8
109.06461	2.4
113.02340	1.5
119.03378	1.5
119.04896	4.2
121.02821	1.7
123.08092	1.3
125.02334	3.2
125.09612	5.4
137.02324	2.3
161.04382	1.2
163.03935	2.8
163.11197	7.0
171.10202	2.7
179.10652	3.0
181.12292	11.3
185.99637	1.2
191.03357	1.2
197.11752	33.1
198.12027	1.9
199.13370	6.0
207.10204	17.8
209.11729	3.3
225.09233	2.3
225.11284	23.5
226.11566	1.6
227.12888	1.7
241.10762	3.6
243.12239	10.5
253.09222	1.7
285.03992	1.3
287.16479	1.5
305.17474	3.3
477.19586	1.3
479.21466	1.9
659.31860	2.0
685.30688	1.8
703.31738	100.0
704.32178	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	703.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57178	0.9
57.03323	5.5
59.01245	15.7
63.79594	1.2
68.99680	1.5
69.03340	2.4
71.00899	1.7
71.01257	21.3
72.99174	5.1
73.02810	2.1
74.89584	1.0
75.00744	11.2
77.94041	1.1
81.03331	2.7
83.01239	3.3
85.02344	1.9
85.02823	22.7
87.00739	7.8
89.02320	5.6
93.03313	2.0
94.12019	1.0
95.01255	4.9
95.04887	2.0
97.02811	2.6
99.00751	5.7
99.04385	2.1
103.00249	2.2
109.02811	2.5
111.00756	1.3
113.02332	20.9
115.00251	1.9
117.01842	1.8
121.02857	1.5
123.04363	1.6
125.02325	13.8
129.01828	2.1
133.02864	1.5
134.03662	1.6
135.04382	2.1
135.53807	1.1
137.02345	7.2
139.03891	1.5
151.03940	2.6
153.01842	3.1
161.02348	2.9
161.06024	1.3
165.01851	4.1
167.03419	15.0
169.06505	1.9
172.05138	1.4
173.02318	2.1
173.05981	1.9
175.03871	2.2
177.01878	1.9
179.03395	1.6
180.13814	1.2
183.04504	1.3
185.06036	3.0
187.07504	1.6
191.01903	1.6
195.04466	1.2
196.05261	1.8
197.04433	1.9
197.06027	13.8
198.03201	2.1
199.03896	3.3
199.07591	1.5
200.04749	1.2
201.05540	2.7
211.04022	3.2
212.04729	2.4
213.05455	14.6
214.02667	2.5
214.05954	1.7
215.03491	1.6
215.07077	16.0
216.07443	2.0
223.03958	1.9
224.04744	2.2
225.05533	13.9
226.02660	2.6
226.06053	2.1
227.03432	14.9
227.07001	2.5
228.04102	2.5
229.01419	8.5
229.04904	1.5
230.02238	1.5
235.03935	1.8
236.04741	1.5
237.05486	2.3
239.03439	1.2
239.06866	1.5
240.04112	2.2
241.05000	32.2
242.02119	2.0
242.05367	3.1
243.06636	14.1
249.06137	9.3
251.03470	4.5
252.03946	2.0
253.05000	5.6
255.03014	9.6
255.06610	2.5
257.04193	1.3
259.06116	4.1
261.05423	1.2
263.03500	3.0
263.07043	1.3
264.04172	2.3
265.05081	4.3
267.02838	2.9
267.07205	24.0
268.03323	1.6
268.07465	1.6
269.04565	18.9
271.02429	1.5
271.05963	2.2
277.05038	3.1
278.05640	1.5
279.06619	1.5
281.04538	4.0
285.04001	2.3
287.05548	10.1
291.02914	2.8
297.04022	3.9
301.08447	1.3
303.06519	3.0
305.04590	3.4
305.07861	1.2
307.06213	2.1
309.04037	3.6
315.04984	5.3
321.07574	2.1
329.08017	1.4
330.05386	1.9
331.06091	3.6
335.41400	1.3
345.07486	3.9
347.05569	2.8
349.07196	2.3
355.05957	1.5
361.09177	3.9
371.05444	1.3
373.07077	6.2
375.04956	2.0
389.06650	2.4
391.08176	3.6
399.05127	3.6
407.07355	1.6
409.09192	1.6
417.06018	5.5
435.07437	6.2
453.08374	2.6
475.12375	1.9
535.11029	2.4
537.12500	10.7
559.10803	2.2
565.11932	30.2
566.12097	4.8
577.11859	3.7
597.15778	2.3
615.17072	3.1
623.13977	1.6
641.15088	5.2
659.15662	3.1
667.12787	4.4
685.14020	18.1
686.14172	3.1
703.15131	100.0
704.15588	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.1
61.98701	100.0
62.98405	0.2
63.23560	0.1
70.28468	0.1
70.28840	0.3
70.70717	0.1
71.01262	0.3
89.02321	0.1
90.47085	0.1
99.25112	0.1
101.02328	0.1
119.04930	0.2
126.70879	0.1
132.35118	0.1
134.03664	0.3
135.04381	0.1
145.02916	0.1
162.37370	0.1
163.03934	0.2
171.10251	0.1
177.02029	0.1
179.10791	0.1
183.13802	0.1
193.05034	0.2
197.11830	0.6
209.11813	0.4
211.13364	0.5
253.09448	0.2
299.01947	0.2
313.03693	0.1
314.04401	0.2
315.04785	0.1
329.06702	0.3
330.07138	0.3
671.32849	0.5
703.35626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01239	3.4
61.98701	2.9
69.03325	0.8
70.29358	1.8
70.29726	1.8
71.01250	4.2
72.99156	1.0
73.02841	0.8
74.95410	0.8
74.98962	1.2
81.45425	0.9
83.01292	1.3
85.02809	3.3
89.02328	2.7
93.03323	2.4
96.95897	1.2
97.06528	1.3
101.02349	1.8
105.03342	1.2
106.04133	1.2
109.02824	2.6
109.06490	1.8
113.02311	2.4
113.03014	0.9
118.98011	0.8
119.04970	1.1
120.99544	100.0
121.02859	4.1
121.71411	0.9
121.99802	0.8
123.00855	1.2
123.08035	3.2
125.02319	2.3
132.02071	1.6
133.02861	17.2
134.03641	23.5
135.04466	4.4
135.08034	2.5
136.99049	1.3
137.02342	27.0
138.03020	1.0
139.03920	9.1
149.02350	2.3
149.05988	0.9
150.03122	3.1
150.06752	5.5
151.03873	1.4
153.05417	1.0
153.09090	4.6
159.04443	1.7
159.46223	0.8
160.01552	1.9
161.02357	5.8
161.04449	1.0
163.04016	1.1
163.07570	0.8
164.04643	0.9
165.01833	2.8
165.05409	1.0
167.03426	1.2
170.03636	1.5
171.04424	1.9
175.03915	5.3
176.04410	1.1
177.01851	3.0
178.02635	42.7
179.03403	6.4
179.07053	0.9
179.10684	2.7
187.09718	6.4
193.04985	5.7
194.05777	1.6
209.08031	1.5
211.04001	1.6
211.13313	1.9
215.03419	4.0
217.10773	10.4
225.05444	0.9
228.04211	2.4
239.03511	1.1
239.06923	1.2
241.05136	1.9
241.08615	1.6
243.06540	1.5
249.05609	0.9
251.07144	1.5
253.05028	1.3
253.64461	0.9
255.02986	1.6
256.03796	3.6
257.04684	1.5
258.05444	1.1
269.08102	5.5
270.05392	1.5
271.06104	10.7
272.06787	1.6
279.06702	2.4
285.03995	1.8
285.07745	2.8
286.04315	1.1
286.08456	8.2
287.09058	2.3
293.08020	1.1
295.06064	3.1
301.10748	1.7
309.07581	1.2
329.06573	1.2
351.21460	1.1
368.08838	2.4
369.09763	33.6
370.10434	5.5
443.07785	0.9
449.13846	1.0
465.15512	41.5
466.15903	4.8
477.15872	1.8
495.16733	9.1
496.17120	1.2
521.31097	2.2
529.97998	0.9
549.17676	51.0
550.17950	9.7
561.17554	5.6
562.17865	1.5
579.18707	16.8
580.19141	2.6
683.36505	1.6
701.37567	28.8
702.36987	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	701.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68774	0.8
54.70691	0.7
59.01258	1.6
61.98705	50.7
71.01264	1.5
73.21042	0.8
78.98462	1.0
79.95613	1.3
80.96395	5.4
85.02845	1.0
85.45467	0.9
93.03361	1.0
94.97964	0.8
108.30345	0.8
117.03326	1.0
119.04919	100.0
120.05239	3.5
121.02820	1.0
129.51013	0.8
145.02841	2.3
161.02379	5.0
163.03922	58.7
164.04280	3.6
177.01883	1.8
179.10774	1.0
181.61964	0.8
185.02145	1.1
192.04262	1.1
199.04234	0.9
203.03441	2.4
203.06995	0.9
209.11835	6.6
211.13339	2.3
225.00703	1.3
227.03461	7.0
227.12894	1.3
228.03706	0.9
229.01364	1.8
237.14877	1.4
243.02950	1.7
255.12305	2.6
271.02493	16.4
285.04053	2.5
299.01965	47.4
300.02286	3.5
313.03632	3.0
314.04324	41.7
315.04672	3.7
329.06662	97.3
330.06946	8.2
365.29593	1.1
644.30090	0.9
651.30505	1.0
701.18488	14.9
701.28912	5.6
702.18896	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	701.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.9
57.03321	4.2
58.00456	0.8
59.01246	14.3
61.98687	0.7
65.18354	0.6
67.01748	0.8
68.99665	1.7
69.03296	1.5
70.93221	0.9
71.01253	23.2
72.99176	3.3
73.02820	2.2
75.00744	7.8
83.01254	2.6
84.02020	0.7
85.02820	33.7
87.00751	5.8
89.02302	3.3
90.22807	0.6
93.03330	5.1
95.01253	8.2
96.01621	0.6
99.00752	11.8
101.02257	1.5
101.92520	0.6
103.00255	6.0
109.02862	0.7
113.02328	62.9
114.02634	1.1
115.00241	3.5
117.01802	3.6
121.02809	2.6
122.03618	7.1
123.00726	0.8
123.04385	1.3
125.02338	1.2
129.01799	2.2
133.02824	1.3
134.03618	0.8
135.04376	1.3
137.02333	5.7
139.00267	1.4
148.26767	0.6
149.02342	10.1
150.03123	52.0
151.00220	1.3
151.03543	1.8
152.01042	0.8
153.01802	1.3
157.01303	1.4
161.02356	6.0
164.04672	2.6
165.05478	50.4
166.05823	2.0
167.03398	1.6
175.02405	21.2
175.03859	1.1
177.01854	0.7
180.04182	4.0
185.02316	1.0
193.04982	0.8
195.06557	20.8
203.03430	2.3
211.13461	0.8
215.03442	0.7
226.02673	1.1
227.03427	7.3
270.01608	1.1
271.02457	21.5
272.02838	1.1
285.04044	5.7
297.04056	1.0
299.01956	57.7
300.02155	3.8
313.03522	7.5
314.04297	55.5
315.04694	4.7
317.59106	0.7
328.05984	1.7
329.06635	100.0
330.06952	8.9
397.13776	1.0
504.08966	2.4
505.09866	2.5
519.11359	0.9
525.13989	24.9
526.14063	4.5
597.15857	0.9
701.17285	13.5
701.36774	1.8
702.17462	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	700.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58756	0.2
55.07101	0.2
55.82141	0.2
61.98702	100.0
63.22041	0.2
63.57270	0.2
68.01452	0.2
71.01283	0.2
71.73589	0.2
72.93932	0.3
78.95769	0.3
83.18764	0.2
85.02853	0.3
86.42009	0.2
88.58018	0.2
98.19759	0.6
133.91858	0.3
152.53485	0.3
155.03465	0.2
209.11778	3.9
210.12161	0.3
227.12921	0.4
229.67566	0.3
253.21825	0.5
255.23303	4.8
361.12204	0.3
430.72672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
55.03025	1.1
57.03327	5.7
58.00460	1.3
59.01245	18.7
59.40732	1.0
61.98691	1.4
67.01764	1.8
69.68539	1.8
69.68835	6.2
71.01249	26.6
72.99174	5.5
73.02790	2.8
75.00737	8.8
79.95568	1.0
83.01273	1.9
85.02821	40.4
87.00737	6.0
87.64504	1.1
89.02298	5.0
93.03324	4.0
95.01247	11.6
95.04926	1.2
98.19881	1.3
99.00747	16.9
101.02325	1.7
103.00220	8.2
107.01273	1.7
113.02327	83.9
114.02618	1.9
115.00235	4.1
117.01830	5.6
119.04865	1.2
121.02841	4.2
122.03648	8.9
125.02311	2.3
129.01852	5.7
133.02838	2.1
134.21329	1.1
135.04413	6.9
137.02359	5.4
139.00275	1.3
149.02347	12.1
150.03128	57.2
151.00259	4.8
151.03534	2.3
157.01334	2.4
160.01515	1.5
161.02303	8.2
164.04620	2.7
165.05472	47.6
166.05841	2.6
175.02400	25.5
175.03842	1.6
180.04199	5.6
181.04794	1.3
191.01839	1.5
195.06538	20.2
203.03493	2.4
211.13214	2.5
227.03484	8.2
229.01309	2.0
264.15381	1.3
270.01407	1.2
271.02460	21.9
272.02872	1.3
285.04178	6.2
285.06708	1.3
299.01935	58.9
300.02359	7.4
311.05344	2.2
313.03488	9.9
314.04291	57.0
315.04700	4.7
328.05746	2.0
329.06638	100.0
330.06961	8.7
397.13474	2.0
477.11801	6.6
504.08853	2.3
505.09702	3.3
519.11615	1.6
525.13965	54.3
526.14441	9.8
563.14453	1.7
567.14880	1.8
581.15057	1.5
597.16364	1.7
701.17017	22.7
702.17029	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	700.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02853	0.1
59.01258	0.2
61.81371	0.1
61.98702	100.0
62.98400	0.2
64.51935	0.1
71.01254	0.2
80.96397	0.3
81.92490	0.1
87.00813	0.1
94.97992	0.1
117.03343	0.2
119.04957	0.8
123.42687	0.1
130.82278	0.1
145.02875	0.3
151.00299	0.2
163.03912	0.8
163.64395	0.1
171.10233	0.3
190.25784	0.1
209.11797	0.2
211.13399	0.2
242.29790	0.1
285.04160	0.3
299.01917	0.2
313.03403	0.2
314.04294	0.3
329.06558	0.4
341.10205	0.1
475.22717	0.2
656.18933	0.3
700.17987	0.5
700.35559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.2
57.57413	0.8
59.01254	7.1
62.42060	0.9
66.72984	0.8
71.01254	6.3
72.99201	1.7
75.00757	2.0
83.01260	1.7
85.02824	44.5
87.00736	1.3
89.02342	3.9
96.89368	1.0
101.02341	1.5
103.00280	1.3
109.02816	1.9
111.00764	2.4
119.04906	1.1
123.90673	0.9
125.02348	3.1
129.01836	3.6
133.01337	2.6
135.04402	1.9
137.02328	8.2
147.02873	3.5
147.04240	0.8
151.00259	1.4
153.01823	1.0
159.85223	0.9
167.03383	1.3
171.99480	0.8
191.01906	19.7
204.80620	1.0
209.02971	100.0
210.03328	4.1
218.73755	1.0
299.07800	2.9
305.18951	1.0
335.91531	1.1
371.06104	4.8
401.42435	0.9
491.11319	1.4
585.88080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01582	0.8
61.86869	0.2
61.98706	1.1
70.31340	0.6
71.16291	0.2
78.95777	0.3
98.20486	0.2
119.04926	1.3
121.02832	2.3
126.84952	0.3
134.03630	0.4
136.79150	0.2
163.03960	0.6
165.02005	0.3
171.10155	1.2
191.03464	0.8
209.04491	1.6
223.07550	0.2
266.19601	0.2
289.18210	0.6
331.21469	0.2
372.64743	0.2
384.05438	0.3
593.13556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2286
Annotation	Dadahol A
Peak:m/z	Relative Intensity
51.99678	0.6
59.01239	2.2
61.98687	2.1
66.87000	0.5
68.86270	0.5
71.01253	0.8
71.52245	0.5
71.52696	0.6
85.51487	0.6
93.03338	1.0
95.04937	0.6
117.03355	9.3
119.04910	100.0
120.05238	3.9
121.02827	2.5
121.35855	0.6
123.04397	0.8
134.97116	0.5
144.27223	0.5
145.02850	33.8
146.03191	1.3
161.02281	0.7
162.03145	4.5
163.03908	67.9
164.04234	2.4
165.05530	0.6
171.10141	5.0
175.23189	0.6
177.05525	1.6
195.13745	0.7
209.11888	0.6
211.13185	0.6
280.91846	0.5
281.49551	0.7
289.18076	3.3
341.10550	0.9
551.19464	3.6
619.31329	0.8
637.32971	1.3
697.23096	9.2
697.34656	1.1
698.23169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.7
59.01249	48.4
61.98694	29.4
65.03824	3.7
71.01256	18.0
72.99160	4.2
73.02804	3.9
78.95781	4.0
80.51315	2.1
85.02820	7.2
87.00767	7.0
89.02309	7.3
97.06484	3.0
101.02360	12.1
113.02309	7.2
117.03355	5.1
119.04927	34.0
121.02853	4.1
123.08070	2.6
125.09612	17.1
129.01828	2.2
140.46925	2.3
145.02846	11.9
145.04970	4.1
161.04446	3.2
161.13229	3.0
161.21809	2.2
163.03902	20.4
171.10179	7.8
185.11772	11.2
187.11328	2.7
187.14828	5.2
205.12273	12.2
209.11806	16.2
211.13290	4.3
213.12677	4.0
215.10611	2.4
221.15425	6.8
231.13857	14.9
233.11707	15.3
235.08237	5.4
249.14908	12.9
253.09337	3.0
286.19785	2.4
321.22656	2.4
339.23166	5.2
355.22348	2.7
357.20532	3.9
365.21198	5.2
373.23901	4.6
375.21564	3.0
383.22147	23.0
401.23282	36.7
402.23663	3.4
419.24390	8.4
447.90326	2.3
494.49796	2.5
593.29346	15.1
619.31201	100.0
620.31549	22.3
637.32208	67.5
637.40039	1.5
638.32690	10.3
697.22382	18.5
697.33612	2.7
698.23151	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	699.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15578	0.9
58.05276	0.9
59.01251	5.9
59.28681	1.0
61.98705	21.9
71.01250	2.1
71.52478	1.6
78.95785	1.1
81.58959	1.1
85.02839	1.6
101.02303	1.2
117.03335	21.2
119.04918	7.8
121.02844	19.4
123.04444	6.7
133.02852	3.8
134.03610	2.3
145.02853	7.8
145.06468	1.5
149.18503	1.1
151.00293	1.8
161.02315	7.3
162.03131	47.2
163.03922	7.9
171.10141	8.8
187.00307	1.2
203.03461	2.4
209.11745	3.2
211.13394	1.2
226.02660	1.4
227.03456	10.2
233.15404	3.8
242.02391	2.1
243.02782	1.6
253.09126	1.5
270.01590	5.5
270.08957	1.5
271.02454	17.9
282.05170	1.4
285.04025	13.4
294.08762	1.2
299.01944	62.3
300.02252	3.9
309.20703	2.1
313.03543	19.3
313.07071	0.9
314.04294	61.0
315.04462	4.8
325.10641	2.1
327.05130	2.2
328.05862	31.3
329.06635	100.0
330.07022	10.3
341.10367	3.6
367.08176	1.8
369.09726	21.3
370.10144	2.6
385.23801	2.9
385.32321	1.1
527.74237	1.0
535.12683	5.0
621.32532	12.3
621.41681	1.5
639.33929	2.1
699.16968	8.2
700.17676	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	1.0
69.52898	2.5
78.95775	11.1
78.96220	0.8
81.98778	0.4
82.62331	0.4
93.01993	0.5
98.20528	0.8
148.99997	0.5
152.41014	0.5
152.99454	0.5
205.15961	1.0
380.56213	0.4
515.92163	0.5
532.83081	0.5
653.30438	0.8
654.13367	0.5
695.31097	49.3
696.31421	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	693.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71191	0.6
57.92833	0.7
59.01232	1.3
61.82908	0.6
65.00172	1.2
69.52845	4.5
71.01246	1.9
79.01748	0.7
83.01241	1.1
85.02799	2.2
93.03310	1.7
95.01197	0.7
99.00696	0.8
101.02325	0.8
107.04935	0.9
108.02097	0.7
109.02824	6.2
118.58985	0.7
121.02840	6.3
125.02325	1.4
133.02805	2.5
133.06447	2.4
133.44861	0.8
134.03705	0.8
135.04440	0.8
136.01555	0.7
137.02287	1.3
137.81076	0.7
139.03914	1.7
145.02789	0.8
148.01605	0.8
149.02354	6.0
149.05942	0.9
151.00296	0.8
160.01527	0.9
161.02353	2.7
163.00279	1.0
163.03905	1.4
173.02364	0.8
173.05893	0.9
175.00258	2.8
175.03897	2.1
177.01831	2.3
179.03349	0.8
187.04066	1.1
189.01863	8.8
190.02579	2.4
191.03398	1.3
203.06998	0.9
205.01357	1.5
205.08621	0.9
209.11754	1.1
211.03812	0.8
212.04863	0.7
215.03467	1.2
217.01459	3.7
217.04971	2.9
217.08572	1.8
219.06551	2.5
227.06975	1.5
228.04170	0.9
229.08627	0.9
231.06570	3.9
233.08095	2.0
240.04291	1.3
241.05009	1.6
243.06490	1.6
244.07465	1.4
245.08131	1.7
251.07008	0.7
253.05002	1.8
255.02802	1.0
255.06528	1.6
256.03629	1.2
257.04565	1.5
259.06055	2.5
260.06808	0.9
261.07706	6.3
265.05045	0.8
266.05707	1.2
267.06586	1.9
268.03482	1.2
269.04468	0.8
270.05243	1.7
271.02612	1.7
271.05832	1.1
273.07831	1.4
281.04309	1.4
283.02362	1.8
284.03229	2.3
285.04056	4.7
287.05566	0.9
287.09000	0.8
289.07193	3.0
291.08630	0.8
293.04468	2.4
295.02414	1.6
296.03098	1.3
296.68182	0.8
297.03989	2.2
299.01990	1.5
299.05502	1.1
300.02786	0.8
301.03540	2.3
309.04059	1.8
309.11270	2.7
310.04562	1.1
311.05502	2.5
311.09100	1.8
312.02649	1.9
313.03351	0.9
314.04300	2.2
323.09189	1.1
325.03574	3.0
325.10638	3.4
327.05081	3.5
335.09186	2.2
337.10760	2.4
339.05008	26.1
339.08719	4.9
340.05252	2.7
340.09183	1.3
351.08820	1.5
353.06461	1.3
353.10278	8.1
354.10782	1.4
365.10083	1.5
367.04416	9.2
367.08221	8.1
368.04886	1.4
368.08841	6.1
369.09763	9.4
370.10239	1.3
380.09021	3.5
381.09781	13.1
382.10504	15.4
383.11008	3.2
384.08377	2.9
393.09750	0.8
397.09180	2.0
409.09171	3.0
410.10046	23.6
411.10715	13.7
412.11041	1.3
440.11026	6.7
441.11716	2.7
469.25568	0.9
530.14014	1.5
531.15131	2.0
573.16083	72.5
574.16321	11.4
603.17316	16.4
604.17847	2.1
615.17151	1.9
693.20300	100.0
694.20630	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	1.6
70.16693	0.4
70.82346	0.6
70.82688	0.7
71.01263	0.7
76.71643	0.5
85.02825	0.8
89.78757	0.4
93.03360	1.3
96.95899	0.5
105.69848	0.4
107.04903	1.0
109.02839	3.7
111.00757	0.8
119.04933	0.6
121.02838	9.0
122.03154	0.5
125.02363	0.5
129.07021	0.6
131.04933	2.1
133.02885	0.6
133.06416	1.0
134.03641	0.5
135.04405	0.5
137.02335	0.8
139.03914	2.1
145.02892	0.6
147.00784	1.2
148.40157	0.4
149.02324	4.2
149.05968	3.9
151.07520	0.5
161.02338	1.5
163.00269	1.1
163.03877	0.7
173.05994	6.1
174.06276	0.5
175.00284	4.7
175.03899	1.1
176.01033	1.1
185.06012	0.5
189.01898	0.9
189.05513	0.5
190.02640	0.5
191.03381	0.4
191.07045	1.0
194.09094	0.4
201.05511	0.5
203.03435	0.4
211.03896	0.4
212.04799	0.4
217.05002	25.1
218.05365	1.2
219.06593	5.0
227.03328	0.5
229.05107	0.6
230.05875	0.9
231.06522	1.3
232.07414	0.4
234.00850	0.4
240.04189	0.8
243.02890	0.7
243.06625	0.5
245.04428	2.7
247.06070	1.4
255.02992	1.2
256.03732	1.6
257.04544	1.0
267.02997	1.7
268.03629	0.8
270.01627	0.8
271.02335	2.2
279.02945	1.1
280.03723	0.4
283.02469	1.2
284.03262	5.1
285.03876	2.5
295.02454	1.6
295.09686	0.5
296.03189	1.6
297.03937	1.3
299.01999	0.5
300.02838	1.2
311.09152	1.6
312.02734	1.8
313.03427	1.8
323.09247	1.4
325.03513	9.9
325.06354	0.4
326.03830	1.3
339.04697	1.0
339.08719	14.8
340.09143	2.1
341.10007	0.6
367.08194	94.4
368.03992	0.9
368.08749	22.5
369.09741	35.7
370.10010	4.4
381.10300	0.5
393.09753	0.7
411.10620	1.3
414.21802	0.5
530.14288	21.1
531.15027	59.6
532.15424	9.0
573.15808	1.9
675.29254	0.6
693.20331	100.0
694.20624	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	695.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54051	0.4
57.03325	2.5
59.01233	1.6
65.00181	1.6
68.99673	1.6
69.03322	1.9
71.01245	2.0
71.08930	0.9
73.91711	0.4
76.99595	0.4
81.03324	3.1
83.01251	2.9
85.02819	2.6
89.02308	0.5
93.03320	1.8
95.01302	1.1
95.04885	1.0
97.02831	3.6
99.00734	0.5
101.02330	0.5
105.03296	0.5
107.01284	0.7
107.04903	0.5
108.02027	1.7
109.02827	5.3
109.06450	1.1
109.99960	0.8
111.00754	0.8
111.04420	0.8
113.02332	1.2
119.04909	0.8
121.02827	3.2
122.03622	1.8
123.00767	0.7
123.04408	7.0
124.01550	7.7
125.02341	4.8
125.09592	1.5
129.01765	0.4
133.02869	1.1
133.06474	4.2
134.03653	0.5
135.04422	2.2
136.01547	1.5
137.02347	5.1
138.03119	5.8
139.03951	2.3
139.76245	0.5
145.02858	0.8
147.04398	2.1
147.08112	0.7
148.01530	0.7
149.02341	8.1
149.05956	0.7
149.09624	3.6
150.03142	3.2
151.00273	1.3
151.03925	4.2
151.07530	1.6
152.01050	1.5
153.01805	1.6
158.03577	0.5
159.04407	0.9
159.16057	0.5
161.02365	2.2
161.05957	0.6
161.09637	0.8
162.03085	0.8
163.00244	1.6
163.03873	1.9
163.07489	0.8
163.11189	0.8
164.01114	2.2
165.01862	3.4
165.09117	2.3
166.02643	8.6
167.03378	0.7
167.10640	1.3
173.02296	1.0
173.06088	0.4
174.03082	1.9
175.03896	7.7
175.07509	1.9
176.01060	1.6
176.04407	0.6
177.01848	9.2
177.05481	0.6
177.09082	1.1
178.02515	1.4
179.03381	1.8
179.10730	0.5
185.00816	0.7
185.05891	0.5
187.03976	1.0
187.82008	0.5
188.04710	1.5
189.01851	1.4
189.05475	1.3
189.09155	0.9
190.02641	1.6
191.01836	0.8
191.03407	8.3
191.07042	2.3
191.10690	1.8
192.00517	1.1
193.01360	1.1
193.04909	1.1
193.08626	30.5
194.02124	1.9
194.08945	1.2
199.03925	0.5
199.46393	0.6
201.01930	2.4
201.05377	0.5
203.03461	1.3
203.07124	0.8
205.01314	0.5
205.08632	5.3
206.09050	0.8
207.10210	1.3
209.02995	1.0
212.04512	0.5
213.05516	0.9
215.03429	1.3
215.10693	0.6
216.04259	1.0
217.01480	0.5
217.05122	1.0
217.08594	2.3
218.09233	0.8
219.03143	2.5
219.06566	8.0
219.10214	1.4
220.07088	1.0
221.00838	2.0
221.08101	5.6
221.11751	0.5
223.09691	1.3
225.05490	0.6
227.03568	0.5
229.05067	1.1
230.05734	0.7
231.06671	2.2
232.07289	1.1
233.08150	7.4
234.08841	1.7
235.09708	27.5
236.10068	1.8
240.04247	1.1
241.05064	1.1
242.05705	0.7
243.02969	0.5
243.06580	1.3
243.10179	0.6
244.07153	0.7
245.08128	1.9
247.06062	3.7
247.09708	2.0
248.06522	0.6
249.07707	1.3
256.03702	1.2
257.04562	0.7
257.08286	1.0
257.11777	1.5
258.05246	0.8
258.09012	1.5
259.06146	0.7
259.09656	0.8
261.07657	7.1
262.08337	1.9
263.09122	2.1
265.10806	5.4
267.10260	1.0
271.05917	0.9
273.07742	1.7
274.08246	0.6
283.02625	0.8
285.03961	0.9
285.07562	1.0
285.11340	1.9
286.08362	1.1
288.06171	0.7
289.07159	5.7
290.07721	0.6
291.08752	5.7
292.09317	0.9
298.04626	0.7
300.06494	0.7
309.11340	0.7
319.08194	1.9
321.09790	1.7
326.04373	0.5
327.12271	0.7
343.11899	3.2
351.12341	1.2
353.10263	8.0
354.10669	0.7
365.10309	1.1
367.12015	1.3
369.13470	1.9
371.11304	16.0
372.11694	1.9
377.10001	0.6
385.12888	10.0
386.13202	1.2
395.11353	13.1
396.11859	1.2
397.13000	0.8
404.48471	0.4
413.12390	100.0
414.12759	10.6
415.13779	2.7
425.12418	3.2
441.12045	0.7
443.13461	38.0
444.13846	3.5
455.13397	3.1
473.14655	0.8
479.13370	0.9
489.27246	0.5
497.14575	3.8
545.03375	0.5
572.16595	0.5
575.17175	1.4
659.19696	0.7
677.20996	1.9
695.21936	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45181	0.3
57.03301	0.4
59.01246	2.8
61.98693	0.8
66.11120	0.3
70.00143	1.1
71.01263	2.4
73.02825	0.5
80.02534	0.6
81.03322	0.9
83.01229	0.3
83.04899	3.9
84.02034	1.2
85.02820	0.9
87.00712	0.4
89.02332	2.1
89.02843	0.4
95.01243	0.4
97.06490	0.3
101.02307	2.2
113.02312	0.9
119.03384	0.7
125.02267	0.5
125.09590	1.1
127.11198	0.9
134.03644	0.4
135.08055	0.4
137.02306	0.4
144.36079	0.3
145.04903	0.5
161.04451	0.9
163.03966	0.4
163.11217	2.6
164.11528	0.4
165.09041	0.4
165.12747	1.8
171.10165	1.5
175.03958	0.6
181.12177	0.4
191.10719	0.8
201.11256	24.2
202.11604	1.1
209.11769	100.0
210.12123	7.5
226.11636	0.4
227.12849	13.5
228.13168	1.0
235.08237	2.3
253.09279	8.9
254.09540	0.6
285.04102	0.7
349.92532	0.4
375.21655	0.7
393.22855	0.8
437.20380	1.1
445.20901	1.7
463.21390	0.3
637.31927	0.6
673.33691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55212	0.3
59.01239	1.3
61.98690	1.3
63.02298	0.4
63.45253	0.4
65.00193	1.3
71.01253	1.3
71.53386	0.4
72.99164	0.5
73.02813	0.6
89.02328	0.4
91.01768	8.6
93.03355	1.1
95.01283	0.8
95.34056	0.4
98.71832	0.3
99.00719	0.5
108.02045	4.3
109.02839	1.4
111.00752	1.5
113.02401	0.4
116.92598	0.4
121.02840	1.0
123.00757	0.6
123.04407	27.1
124.01566	0.8
124.04739	1.2
125.02309	0.8
133.06483	1.1
135.04396	0.6
135.74582	0.4
137.02309	2.0
139.00267	0.7
148.05199	4.7
152.01038	4.3
161.02385	0.8
163.07516	3.7
165.16736	0.4
167.03409	100.0
168.03732	4.9
175.00302	1.3
201.11310	1.3
202.11543	0.3
209.11728	1.9
210.12064	1.0
211.03905	0.4
211.13385	0.6
219.06602	2.0
227.12862	0.4
229.04970	0.7
241.04958	0.8
247.05997	0.6
253.09361	0.4
285.04114	0.4
291.06561	0.6
325.03610	1.3
339.08539	0.7
351.87732	0.4
359.05698	0.7
360.05737	0.4
361.07248	1.0
362.07568	0.5
367.08255	1.0
368.08932	5.3
369.09653	9.1
370.10117	0.9
373.07178	2.8
374.08035	0.6
375.08539	0.5
411.10962	0.5
439.16190	0.6
483.10809	5.1
484.11105	0.9
531.15021	9.1
532.15399	1.3
573.16089	0.5
649.20862	0.9
675.18994	0.5
693.20459	1.3
694.20355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55868	0.7
54.20884	0.8
54.28679	0.7
55.01757	1.9
57.03309	2.0
58.00459	3.6
59.01250	49.2
61.98700	3.9
67.76739	0.9
67.97054	0.8
69.03318	3.7
70.63961	1.9
71.01254	44.1
71.52925	0.8
72.01604	0.9
72.99179	3.4
73.02825	5.8
75.00745	1.1
81.03326	1.8
82.61366	0.9
83.01257	4.3
83.04858	1.0
85.02826	7.3
87.00752	9.2
89.02313	33.7
90.02676	1.0
91.03851	0.8
93.03312	1.0
95.01254	3.4
97.02821	6.4
99.00778	2.4
99.04470	0.8
101.02319	31.5
102.71331	0.8
111.04426	1.0
113.02331	14.3
119.03400	10.2
119.04886	0.9
121.02827	1.0
121.10122	19.9
125.02349	12.5
125.09565	1.0
127.11178	0.9
131.03403	1.8
133.05035	1.0
138.00578	0.9
143.03423	5.9
149.04433	1.3
159.36411	0.9
161.04482	6.6
164.07133	0.8
167.03526	0.9
171.10181	59.8
172.10503	1.9
179.05537	7.6
183.13852	1.1
185.04440	0.9
185.11761	2.5
199.13295	1.1
201.11264	0.9
209.11771	5.7
210.12181	0.9
211.13310	9.3
212.13638	1.2
217.07069	1.8
217.81525	0.8
221.06660	2.6
225.11389	1.3
227.12708	1.0
231.21097	2.7
235.08186	13.9
235.16956	2.6
253.09193	4.1
263.07785	1.7
273.17245	0.8
275.20148	55.3
276.20523	6.1
277.09274	1.3
285.41034	0.9
287.07776	3.7
293.21207	98.2
294.21561	8.1
301.18918	0.9
305.08923	4.6
323.09586	1.1
379.12283	1.4
397.13483	100.0
398.13721	9.2
400.60400	0.9
415.14572	52.9
416.14633	5.9
542.34601	0.9
631.21008	0.8
659.32922	1.1
673.33728	1.3
691.35095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03304	1.1
58.00443	1.6
59.01254	34.4
61.01227	0.5
61.98681	1.7
63.43596	0.5
69.03316	2.0
70.86145	0.8
71.01256	32.8
71.04872	2.4
72.99162	2.4
73.02823	4.5
75.00745	0.9
78.95770	1.5
81.03315	1.7
82.27287	0.5
83.01273	3.6
83.04900	1.2
85.02829	6.0
86.18421	0.6
87.00751	6.3
89.02319	27.3
95.01263	2.4
97.02838	4.3
99.00741	2.1
99.04362	0.5
101.02322	22.5
111.04421	0.8
113.02333	11.5
115.03919	0.6
119.03391	8.3
123.11656	0.5
125.01455	0.6
125.02351	8.7
125.09492	0.5
131.03375	0.9
133.04948	0.6
139.03885	0.8
143.03401	5.1
149.04446	0.7
149.15343	0.5
151.11263	0.5
152.99516	0.9
161.04460	5.3
163.11162	0.5
169.04958	0.7
169.12265	1.5
171.10214	3.1
177.16367	0.8
179.05516	6.7
181.12344	0.5
183.13791	1.3
185.11740	1.2
191.18044	0.8
197.11707	1.0
201.11096	0.5
207.10184	1.0
209.11827	3.5
209.15433	1.7
210.12029	0.7
211.13388	6.5
212.13693	0.6
217.15993	0.6
221.06714	1.4
221.15442	0.9
225.11183	0.7
231.21179	2.8
235.08191	8.9
235.17004	39.0
236.17354	3.4
239.10323	0.5
245.06781	0.6
253.09203	3.2
263.07858	0.9
275.20148	47.4
276.20505	4.7
277.21793	0.9
287.07706	2.4
293.21225	100.0
294.21545	11.0
305.08786	2.9
308.60559	0.6
323.09848	1.5
397.13498	70.4
398.13980	5.1
401.23508	0.7
415.14563	40.9
416.15051	4.1
637.32190	2.2
659.33002	3.2
673.34216	1.0
691.35107	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.4
57.03311	0.6
58.00467	0.8
59.01253	16.2
60.90861	0.3
61.98686	1.0
69.03322	0.9
70.54537	0.8
71.01255	15.3
71.04863	0.3
72.01594	0.4
72.99173	1.2
73.02814	1.9
81.03326	0.8
83.01258	1.3
83.04877	0.4
85.02815	2.9
87.00743	3.0
89.02317	11.0
90.02628	0.4
95.01266	0.9
96.69690	0.3
97.02828	2.0
98.37872	0.3
99.00722	0.7
101.02322	9.1
102.02687	0.3
111.00808	0.5
111.04393	0.5
111.08056	0.5
113.02328	4.5
118.41537	0.3
119.03389	3.0
125.02341	3.7
131.03400	0.6
133.04971	0.5
139.03889	0.3
143.03406	2.0
161.04443	2.2
171.10295	1.7
175.50085	0.3
179.05540	2.6
179.14363	0.5
183.10196	1.2
185.11758	0.6
195.13864	6.7
196.14357	1.1
199.13342	0.3
201.11180	0.4
205.12289	0.8
209.11795	1.2
211.13379	2.9
221.06615	0.9
223.13354	5.0
224.13805	0.4
225.11235	0.4
227.12863	0.6
228.13461	0.4
235.08170	3.7
253.09254	1.2
256.13187	0.8
265.21951	0.4
275.20111	4.0
276.20581	0.5
287.07758	0.7
291.19550	0.6
292.20016	0.5
293.21228	100.0
294.21518	9.1
305.08862	0.8
323.09897	0.4
397.13510	21.4
398.13828	2.0
404.46213	0.3
415.14572	22.1
416.15079	2.2
654.27148	0.5
659.32819	0.7
691.35730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.2
61.98695	7.9
65.22536	1.4
67.66308	1.2
68.94360	1.1
69.03306	3.8
69.38598	9.1
70.20885	1.1
71.01254	7.0
71.01571	1.1
71.04909	1.9
72.99197	1.5
73.02815	2.8
78.95830	1.2
81.03290	1.5
83.01234	2.5
83.04897	3.8
85.02802	3.4
89.02303	3.1
95.01257	1.7
97.02834	2.0
98.20590	2.6
99.00753	5.0
101.02267	3.4
109.06442	1.4
113.02307	2.8
119.03364	1.8
119.04891	3.7
121.02784	1.6
123.07984	1.6
125.02328	2.2
125.09577	4.7
137.02292	1.5
139.90916	1.4
149.09537	1.4
151.11131	1.6
153.12701	1.6
161.04474	2.9
161.09572	2.5
163.03909	3.7
163.11237	6.6
171.10144	4.5
175.04024	1.5
179.10680	5.7
181.12250	6.9
185.11739	1.6
197.11755	42.8
198.12027	2.0
199.13374	1.7
207.10205	13.1
209.11765	40.1
210.12137	3.9
223.09769	3.0
225.11255	17.9
227.12828	4.3
241.10661	2.5
243.12274	6.4
253.09294	3.3
461.20255	2.3
477.20044	2.3
669.31830	3.5
687.32245	100.0
688.32581	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55384	0.9
56.40535	0.8
61.98703	45.0
66.72143	0.9
71.01212	3.1
72.55055	1.0
85.02803	3.4
89.02299	1.5
103.43846	1.0
119.04887	5.1
125.02318	1.0
133.02887	1.3
134.03595	1.4
135.04393	2.0
137.02335	2.2
148.90991	1.0
151.00275	3.0
153.01915	1.0
160.99060	1.0
161.02299	1.1
163.03900	6.1
165.01889	1.4
181.41943	1.1
193.04999	2.5
199.03915	1.9
215.03436	2.2
227.03337	2.1
242.02090	2.8
243.02959	20.5
244.03494	1.4
255.03003	10.8
257.04456	3.8
267.46219	0.9
270.01624	3.3
271.02469	29.0
272.03061	5.1
285.04001	7.6
286.04675	1.9
287.05667	1.7
299.01959	35.4
299.05341	1.9
300.02710	34.0
301.03214	2.8
312.80338	1.0
314.04327	40.5
315.05087	90.3
316.05435	6.6
317.56439	1.1
329.06537	0.9
367.27545	1.0
453.64664	0.9
623.16144	100.0
624.07172	1.8
624.16522	18.4
634.34790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27610	0.6
56.44070	0.5
59.01000	0.5
59.01257	4.4
61.98687	1.7
69.03320	2.2
70.86553	1.4
71.01239	1.4
74.32735	0.5
74.60756	0.6
85.02826	2.5
87.00760	1.5
89.02326	1.2
90.44872	0.6
93.03336	0.8
99.00760	0.8
101.02318	1.2
109.02820	1.2
113.02319	0.8
119.04908	0.8
123.08019	1.0
125.02324	1.2
132.02057	1.3
133.04852	0.6
134.03603	3.3
135.04437	1.0
135.08029	0.9
137.02318	1.8
149.02335	0.9
149.05956	1.7
150.06763	38.2
151.07249	1.2
153.01808	1.3
160.01567	5.6
161.02286	1.0
163.07567	5.5
164.08331	5.8
165.01854	0.7
167.03395	1.4
175.03912	5.0
176.08344	0.7
178.09840	1.8
179.09106	1.1
179.10686	20.0
180.11086	1.1
185.00778	1.1
193.04997	1.7
193.08688	0.8
267.52365	0.6
285.03995	2.2
286.04404	0.8
306.18307	1.4
313.03433	2.8
320.19766	0.7
321.20709	1.0
335.22137	0.9
341.23566	0.7
343.21317	5.1
364.22559	1.2
417.75668	0.8
459.30783	0.8
462.29733	2.3
477.32254	7.2
478.32578	1.1
504.31302	1.0
505.31696	2.6
522.32007	2.4
523.32721	27.8
524.32928	3.4
553.64612	0.7
583.16998	1.1
601.17706	1.5
643.18829	0.8
651.69159	0.7
685.37994	100.0
686.38336	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85364	1.6
52.29297	1.8
54.61474	2.0
57.03316	2.2
59.01250	36.0
61.98686	3.9
69.03349	3.6
71.01258	10.6
73.02820	3.7
83.01289	3.0
85.02831	5.4
85.21843	1.7
87.00767	3.8
88.87457	2.1
89.02321	3.2
96.95966	2.9
97.02852	2.9
101.02328	8.6
108.02007	2.0
113.02313	5.4
117.03418	2.6
119.04923	4.1
125.02343	5.4
132.02066	17.3
133.02805	5.7
134.03629	59.0
135.03896	2.8
137.02318	5.6
139.03914	2.0
141.13492	2.1
149.02339	2.7
149.06026	10.8
151.00282	2.6
160.00227	4.3
160.01569	87.7
161.02232	4.6
163.03923	2.3
165.05521	2.1
167.03418	2.4
175.03920	100.0
176.04311	7.0
178.02614	8.6
178.50978	1.9
189.05391	1.8
193.05002	51.2
194.05385	4.0
198.20673	1.9
209.02864	3.1
227.03461	2.4
228.66237	2.3
239.11383	2.7
247.06227	2.4
265.07193	3.6
270.01816	1.9
285.04123	10.9
285.06787	1.9
299.01971	3.9
313.03522	27.5
314.04227	6.8
319.08194	4.0
337.09262	5.6
379.10220	10.2
499.14563	3.3
523.14130	3.1
531.98828	2.1
541.15643	8.5
559.16394	9.3
559.37927	2.0
583.16479	15.0
584.16632	2.7
601.17694	33.1
602.18182	3.6
625.17389	10.3
643.18768	23.3
644.18878	4.9
685.18921	5.6
685.37006	4.1
706.30548	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	685.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.1
61.98706	5.0
71.01244	2.5
73.02843	0.6
79.68427	0.6
85.02805	2.2
87.00758	2.1
89.02319	1.0
96.95873	1.1
97.06451	0.8
101.02318	1.0
113.02284	0.8
119.04888	1.1
119.52917	0.6
120.99549	15.8
123.04430	0.9
123.08028	1.1
125.02324	1.6
126.70969	0.7
127.00348	0.7
128.98495	0.6
134.03680	1.0
135.04408	1.2
137.02296	0.7
137.09515	1.0
145.02795	0.7
149.05994	1.2
150.05614	1.5
150.06772	20.4
151.07164	0.7
157.08640	0.6
160.01582	1.2
160.79092	0.7
161.02312	1.9
162.06793	0.8
163.03862	1.0
163.07561	8.7
164.08304	3.4
171.10147	0.9
175.03882	1.3
177.09161	0.7
178.09909	1.0
179.03397	0.6
179.10690	11.3
179.65312	0.6
193.04976	1.0
201.31136	0.6
209.11905	0.6
223.04216	0.9
229.10732	0.9
241.05118	0.8
257.13947	0.8
285.04099	1.9
313.03494	3.0
314.04156	0.9
321.20325	0.7
329.06912	0.7
341.23453	2.8
343.21298	3.4
444.28479	0.7
462.29636	1.3
476.31403	2.2
477.31985	4.1
504.30942	2.5
505.31439	2.7
522.31757	6.0
523.32715	17.4
524.33234	2.2
594.55499	0.8
685.38049	100.0
686.38354	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	683.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	2.2
59.01251	31.3
60.84736	1.0
65.89981	1.0
69.00449	0.8
69.84445	2.2
69.84846	3.0
71.01254	26.9
72.99181	1.2
83.01260	1.1
85.02810	3.8
87.00719	1.2
89.02319	32.1
90.02654	1.3
96.14124	0.9
101.02318	14.3
106.76772	1.2
107.04919	3.3
108.14993	1.1
113.02337	11.2
119.03400	11.0
131.03358	2.2
143.03392	3.7
161.04420	3.3
179.05530	15.9
180.27838	0.9
191.05455	1.0
241.08891	1.0
307.85580	1.0
341.10938	100.0
342.11273	9.6
405.15115	1.1
596.08813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
59.01248	45.7
61.98698	2.0
62.67612	1.3
71.01254	10.7
73.02808	3.9
73.03247	1.3
78.95786	1.8
80.93226	1.3
83.01269	1.8
83.04911	2.0
85.02802	4.1
87.00755	6.4
87.27376	1.2
89.02301	4.1
99.00733	1.5
101.02330	10.5
109.06480	2.4
113.02313	5.9
119.03371	1.9
125.02373	2.2
132.46391	1.3
135.08029	2.1
145.04903	3.4
145.94954	1.3
152.99446	2.3
161.04437	2.8
161.05685	1.3
171.10187	12.0
191.34311	1.3
203.54559	1.3
229.80115	1.7
235.08226	7.5
239.16483	1.8
241.17969	1.5
253.09253	1.4
265.18161	2.3
275.16364	2.2
277.21567	2.3
293.21075	3.8
315.26608	1.8
325.25250	5.0
341.24777	3.6
343.26416	6.5
351.23087	1.7
359.25897	5.0
361.27377	2.2
369.24289	12.0
387.25427	30.2
388.25574	4.2
405.26505	24.9
406.26929	2.5
595.34753	3.1
623.34338	100.0
624.34650	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91666	0.3
57.03320	4.1
58.00484	0.3
59.01247	5.7
69.03334	0.7
71.01257	4.9
71.04901	0.2
71.53397	0.3
72.99200	0.5
73.02821	0.7
80.02551	0.3
81.03336	0.3
83.01250	0.4
83.04877	0.4
85.02834	1.0
87.00732	0.4
89.02318	4.4
93.03345	0.2
94.89740	0.2
95.04904	1.1
97.06465	14.4
98.06816	0.4
101.02315	3.5
113.02310	2.1
119.03398	1.2
123.08055	7.1
124.08421	0.4
125.02331	0.4
125.09612	100.0
126.09947	3.9
131.03375	0.3
143.03400	0.6
143.10680	1.5
155.01059	0.2
161.04462	0.9
167.10680	0.2
169.08618	2.7
179.05522	0.9
187.09679	73.3
188.10022	3.2
201.11189	0.3
211.09686	0.8
221.06674	0.2
253.09261	1.9
257.48267	0.2
258.82062	0.3
261.13354	1.2
277.21710	13.7
278.22009	1.5
405.17642	6.0
406.17676	0.4
423.18710	18.3
424.19122	1.7
445.93768	0.3
521.34674	0.4
683.40057	91.9
684.40424	18.2
713.78906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.9
59.01260	5.7
65.08684	0.6
71.00916	0.8
71.01249	4.6
71.02232	0.9
73.02813	1.8
83.04895	1.4
85.02831	1.0
87.00755	2.6
89.02324	1.9
95.04904	2.1
97.06474	14.9
101.02314	3.5
113.02332	1.9
123.08050	8.9
125.09614	84.1
126.09949	3.6
139.09927	0.6
145.05000	1.4
161.04510	1.6
169.08652	0.9
186.52135	0.6
187.09692	34.8
188.10069	2.1
235.08226	2.7
253.09288	2.9
267.27466	0.6
277.21722	43.0
278.22061	3.7
341.10782	0.8
405.17493	5.9
423.18619	5.2
518.39319	0.7
521.35138	0.9
683.40070	100.0
684.40381	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28738	0.3
53.79327	0.3
56.94841	0.3
57.03327	0.2
59.01252	8.3
61.98698	2.1
69.03322	0.3
71.01244	2.2
71.53303	0.4
73.02811	1.2
74.75661	0.2
75.00761	0.3
78.95780	0.4
83.01255	0.9
85.02832	0.6
87.00745	1.5
89.02335	0.8
101.02309	1.3
103.66743	0.3
104.02559	0.3
111.00758	0.3
113.02316	1.4
117.03297	0.5
119.01291	0.3
119.03376	0.3
119.04913	0.3
125.02341	0.9
132.02071	25.1
133.02809	1.3
134.03635	8.0
135.03903	0.4
137.02364	0.3
143.03456	0.5
149.02322	0.4
149.06000	0.8
151.00266	0.3
160.01576	89.8
161.01912	3.7
161.04480	0.5
163.03899	0.4
175.03928	100.0
176.04263	5.1
176.05672	0.5
177.01883	0.4
179.05376	0.3
193.04999	12.1
194.05269	0.3
217.04993	0.5
235.06039	0.4
247.06255	0.3
278.10297	0.3
285.04047	3.3
286.04279	0.5
289.07059	0.4
323.05630	0.8
323.09314	0.3
327.05466	0.4
337.09204	0.6
341.10910	1.1
379.10324	1.1
381.09879	0.6
383.11743	1.0
399.10809	4.9
425.12851	1.2
583.16644	2.5
584.16479	0.5
601.17877	1.9
602.18506	0.4
625.17786	4.8
626.17859	0.7
643.18719	4.6
644.18896	0.7
655.45551	0.3
685.19751	16.2
686.20093	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	681.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16616	0.7
58.00479	1.5
59.01252	23.5
60.60621	0.7
69.27711	1.6
69.28125	4.1
71.01252	21.4
72.13643	0.8
72.99194	1.7
73.02831	1.0
78.25970	0.6
83.14208	0.8
85.02840	3.1
85.15997	0.8
87.00773	1.3
89.02316	24.2
95.01278	1.0
101.02324	9.8
106.94341	0.6
113.02322	8.4
116.92210	0.7
119.03387	9.8
119.04934	3.3
131.03363	1.4
131.04402	0.7
134.03610	0.9
137.02353	1.1
143.03412	2.8
145.02872	3.4
154.91054	0.9
159.04405	0.8
160.01529	0.7
161.04413	3.8
163.03865	1.2
171.62717	0.8
175.03880	1.7
177.01773	0.8
179.05527	15.4
180.05803	1.0
192.00426	0.7
221.02954	0.7
225.05547	2.2
226.06308	100.0
227.06689	7.3
241.08665	95.6
242.08975	8.7
254.09529	1.4
262.00311	0.8
268.10849	0.7
295.09644	0.9
299.05374	0.7
313.03476	1.9
315.05212	1.2
321.65866	0.9
339.08652	1.2
341.10867	63.2
342.11200	3.4
355.08313	0.9
472.88315	0.9
487.13870	1.1
519.11462	1.3
522.26703	0.9
681.18604	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	680.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.6
59.01237	3.3
63.02268	3.7
64.11226	2.7
64.38712	2.2
65.00183	12.5
65.99716	2.3
70.90957	3.2
71.01261	15.3
72.99181	6.7
83.01247	9.2
85.02818	6.2
87.00765	2.3
89.02289	4.1
90.47163	2.1
93.03315	2.8
107.01266	14.9
109.02840	7.4
109.65089	2.5
111.00755	2.7
113.02316	7.4
121.02857	4.0
125.02333	28.4
133.02846	37.3
136.01596	3.6
137.02364	13.2
147.00758	2.7
147.03082	4.3
149.02336	3.3
150.99126	4.1
151.00270	57.3
153.01801	6.2
159.04381	3.4
160.03920	5.4
161.02315	8.3
163.00270	6.6
163.03831	2.5
164.03452	14.5
169.01326	2.6
176.01070	2.9
177.01855	18.9
178.99803	29.0
179.03331	5.2
188.03407	6.5
190.05034	11.1
191.01878	4.2
193.01314	2.6
198.01862	9.1
198.70425	2.4
203.03398	3.5
205.01390	19.1
206.04539	5.0
216.02974	14.8
225.05609	3.3
226.06276	9.9
227.03465	3.0
232.02454	41.0
233.02739	4.2
241.05045	4.6
241.08630	13.7
245.04575	2.4
255.02950	5.8
256.03595	3.0
257.04654	15.1
269.04480	6.5
271.02609	3.0
283.02499	5.7
284.03302	18.1
285.04074	10.8
286.04150	3.3
297.03995	22.5
299.05457	6.8
300.05154	5.3
301.03534	12.9
314.06696	13.9
324.01306	5.2
324.05109	100.0
325.05307	7.3
337.07684	7.6
341.10782	6.7
342.01999	4.5
342.06165	88.0
343.06232	7.2
355.08853	3.9
357.13562	2.9
539.23840	3.0
546.12543	6.8
662.13733	15.8
680.14648	34.3
681.14722	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	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
55.54761	0.4
57.03320	0.9
58.00460	1.9
59.01252	34.9
60.01563	0.5
61.98690	0.8
67.01748	0.5
68.99682	0.5
69.03334	1.9
71.01256	32.7
71.45419	0.4
72.01574	0.4
72.99186	3.1
73.02820	5.5
75.00745	0.6
81.03328	1.5
83.01253	3.7
83.81361	0.5
85.02824	6.5
87.00748	9.1
89.02319	27.7
90.02607	0.4
90.73181	0.4
91.03887	0.9
93.03333	0.5
95.01249	2.5
97.02826	5.9
99.00764	2.1
101.02323	28.6
102.02635	0.9
103.00245	0.5
105.77930	0.4
109.02830	0.6
111.00758	0.6
111.04373	1.4
113.02333	14.1
119.03389	9.4
121.02780	0.4
123.00775	0.4
125.02338	12.0
131.03358	1.9
133.04932	0.9
139.03909	0.9
141.01807	0.7
143.03409	6.0
144.03709	0.5
149.04497	0.7
161.04472	5.8
162.04797	0.4
179.05539	6.4
185.04442	0.6
198.11342	0.4
199.06003	0.7
217.07111	1.0
221.06554	1.9
235.08202	12.7
236.08646	0.6
245.06718	0.7
245.19212	0.4
253.09215	2.5
263.07706	1.4
277.09418	1.3
281.24857	100.0
282.25226	10.1
287.07788	2.7
305.08755	3.2
323.09811	2.0
361.11255	1.0
379.12543	0.9
397.13504	72.5
398.13745	5.0
415.14572	28.3
416.14798	3.0
449.25525	0.5
522.91156	0.4
579.29370	0.4
626.30377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.3
59.01238	2.7
59.03743	0.9
61.98689	2.7
65.00197	10.2
68.99684	1.1
69.07259	1.0
71.01240	2.3
73.02829	1.0
83.01294	1.3
83.04902	1.3
85.02814	5.1
87.00744	1.0
96.95857	1.2
98.20564	2.2
104.60266	0.9
107.01264	1.3
108.02021	1.0
109.02827	3.4
109.06431	1.7
109.80576	0.9
117.31025	1.0
121.02808	1.1
124.01565	1.3
125.02328	1.2
133.06488	17.1
134.03641	2.5
135.04413	100.0
136.04729	4.7
137.02295	1.7
145.02797	1.5
145.65961	1.0
149.02199	1.0
149.05957	2.3
149.99448	1.1
151.00253	1.6
151.07513	3.0
161.02356	3.6
163.00299	1.5
164.01065	2.0
171.10254	1.0
175.03938	1.5
175.07590	6.5
177.01781	1.1
191.01805	1.2
192.00531	1.6
193.08607	6.6
201.11111	1.2
209.11800	1.5
217.08620	3.3
219.06572	87.2
220.06902	6.0
233.08086	1.1
237.07573	2.1
243.06543	1.5
259.15585	1.4
261.07657	11.2
285.03906	1.4
291.08640	1.9
297.73126	1.0
355.11859	72.9
356.12204	7.7
397.12909	35.0
398.13217	4.3
427.13931	7.2
517.17102	49.8
518.17419	7.8
678.48016	3.5
679.35138	2.9
679.47791	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	679.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23750	0.8
59.01228	2.5
60.14611	0.8
61.98685	2.6
62.11152	0.8
65.00195	6.4
66.62593	0.8
67.50983	0.9
68.99678	2.1
69.03310	1.0
69.35136	6.0
71.01250	1.9
79.01736	1.3
83.01248	2.5
89.02315	1.4
95.01282	1.6
97.02810	2.2
98.19844	2.0
101.02322	1.2
107.01263	4.0
108.02072	1.5
109.02840	5.0
113.02296	1.4
117.70409	0.9
119.04880	1.4
121.02834	1.2
123.00753	1.2
124.01544	3.0
125.02307	1.3
125.09598	2.5
133.06476	16.8
134.03619	2.9
134.06825	1.3
135.04414	100.0
136.01544	3.0
136.04752	4.6
137.02339	2.7
138.03145	1.3
148.01515	1.1
149.05946	1.6
149.09622	3.0
151.00247	2.0
151.07532	1.3
159.04370	2.3
161.02341	7.6
161.09583	1.5
163.00293	5.2
163.03857	1.2
164.01056	8.8
165.01624	1.1
165.09087	2.5
166.02666	2.8
171.10237	1.2
174.03134	1.3
175.03935	4.3
175.07532	2.7
177.01938	1.3
187.07602	1.5
187.09583	1.5
189.01865	1.4
189.05447	1.2
189.09134	2.1
190.02663	1.6
190.99832	1.5
191.07042	1.6
192.00581	14.5
193.01083	1.9
193.08635	6.9
199.03966	1.0
199.07631	1.1
201.01816	1.2
202.11340	0.9
203.03366	2.2
203.07162	1.3
205.04860	0.9
205.08636	2.4
206.02097	1.1
209.11691	1.4
217.05167	1.0
217.08623	8.6
218.09291	1.2
219.06558	14.4
221.19041	1.0
222.01654	1.4
223.09686	1.0
231.06575	6.8
232.07196	1.6
233.08093	7.6
235.09695	8.1
245.08217	2.9
246.08882	1.6
247.09735	1.9
261.07666	75.3
262.08078	5.2
265.10782	1.7
273.07614	1.8
274.08408	1.3
275.09271	3.1
287.09229	2.0
291.08765	11.6
299.05731	1.1
353.10132	1.0
355.11832	2.0
368.12280	1.1
379.11816	1.4
391.22165	1.0
396.12250	1.7
397.12903	89.3
398.13266	8.6
416.80234	0.9
427.13974	11.4
428.14142	1.2
439.13959	1.1
517.17175	27.9
518.17462	3.3
559.18207	75.0
560.18536	12.3
589.19379	5.5
590.20502	1.0
601.17938	1.3
633.30811	4.4
679.22369	40.9
680.22986	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	679.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
61.56847	0.6
61.98709	3.5
62.54663	0.6
65.00187	3.5
69.03353	0.8
69.40113	4.3
71.01246	2.4
73.02834	1.0
74.02342	0.9
83.01257	1.5
85.02817	3.6
89.72647	0.6
93.03311	0.8
95.01235	1.1
96.95864	0.9
97.02856	1.0
98.19843	1.3
101.02353	1.1
107.01261	2.8
107.89426	0.6
108.02074	0.7
109.02843	3.9
113.02322	0.7
121.02845	1.2
124.01573	1.8
125.02320	1.2
125.88041	0.6
133.02902	1.2
133.06497	8.4
134.03606	3.1
135.04408	76.3
136.01537	1.6
136.04778	2.9
137.02328	1.5
149.09642	1.3
150.03055	1.2
151.00285	0.9
151.07587	0.7
161.02339	3.6
163.00308	2.4
163.03891	1.3
164.01080	6.3
165.01639	0.7
165.09064	1.0
166.02669	1.1
174.03139	0.7
175.03909	1.2
175.07611	0.8
177.01871	0.7
178.02579	0.7
179.03462	1.4
189.01801	0.7
189.09149	1.4
191.01872	1.6
191.07108	1.0
192.00607	8.3
193.01108	1.3
193.04990	0.8
193.08554	4.4
203.03500	0.8
205.08626	1.2
209.03047	1.5
217.08603	4.4
219.06570	5.7
222.01772	0.7
231.06621	1.8
233.08087	3.1
235.09717	6.1
243.06586	3.3
261.07657	47.3
262.08063	3.8
265.10867	0.7
273.07727	0.9
275.09198	1.5
285.04108	0.8
285.07541	1.4
287.09409	0.9
291.08704	6.0
303.08621	0.7
327.07935	0.7
355.06381	1.0
369.13184	0.7
379.11719	2.9
397.12903	100.0
398.13297	10.6
421.12796	1.2
427.13974	13.4
427.56039	0.6
428.14410	1.3
439.14066	2.4
463.14151	1.1
481.14624	0.7
499.16086	2.4
517.17212	22.2
518.17316	3.1
559.17920	1.1
630.47534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56175	0.4
55.75233	0.4
59.01244	1.2
61.98697	2.1
65.00191	3.7
68.99659	0.6
69.03350	0.6
70.51547	0.4
71.01260	1.1
71.53141	0.5
81.03327	1.0
83.01254	1.1
83.82648	0.5
85.02821	0.7
93.03344	0.4
95.01276	0.8
95.04900	0.7
97.02824	0.9
100.18549	0.4
101.02367	0.4
105.03296	0.4
107.01273	2.4
107.04932	0.8
108.02036	0.6
109.02829	3.2
111.00823	0.4
117.03337	0.5
121.02872	1.0
121.06495	0.4
123.00705	0.6
123.04391	1.0
124.01540	1.5
125.02342	1.7
133.02863	1.3
133.06491	9.7
134.03703	1.9
135.04411	78.0
136.01563	1.5
136.04750	3.3
137.02351	2.3
138.03119	0.6
145.02780	0.4
148.01569	0.5
149.02354	1.3
149.09637	2.0
150.03082	0.5
159.04453	1.0
161.02347	3.9
162.03027	0.6
163.00278	3.8
163.03922	0.7
163.07603	0.6
164.01053	5.6
164.04660	0.5
165.01756	0.8
165.09125	0.8
166.02635	0.6
173.09592	0.9
174.03105	0.5
175.04012	0.6
175.07510	0.5
177.01909	0.8
178.02592	0.6
187.07558	0.4
189.01872	0.8
189.09200	0.8
190.02614	1.0
190.99770	0.9
191.03426	0.6
191.07077	1.0
192.00572	7.3
193.08630	3.7
199.03949	0.4
199.07460	0.5
199.94800	0.4
203.03445	0.8
203.07040	0.5
205.08641	1.1
206.02235	0.8
207.10129	0.8
208.03644	1.3
210.01651	0.5
213.09198	0.5
215.07141	0.4
215.10777	0.7
217.01309	0.5
217.08621	4.6
219.06465	0.6
228.74448	0.4
230.02014	0.5
231.06665	0.9
233.08173	3.1
233.11656	0.8
234.01660	3.0
235.09724	5.3
247.09782	0.7
248.03185	0.5
249.11211	0.8
250.04871	0.5
257.11783	0.8
259.06158	1.1
259.09802	1.1
261.07660	36.2
262.07977	2.8
271.06009	0.6
275.09216	1.6
276.02710	0.5
277.10858	2.5
285.07822	1.1
287.09396	0.8
287.22339	0.8
299.09042	0.5
301.10767	5.0
302.11258	0.5
303.08771	3.0
319.11945	0.7
327.08826	1.6
337.09409	0.5
337.13171	0.6
340.80444	0.4
345.09854	1.2
363.11429	0.5
372.75494	0.4
395.11093	0.5
397.12906	100.0
398.13229	11.4
421.12863	1.4
439.13928	14.1
440.14230	2.4
463.14111	6.8
464.13928	0.8
481.15012	8.3
482.15436	0.9
499.16010	2.5
500.16589	0.9
526.45618	0.5
677.51233	0.5
679.22479	2.3
679.34216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98920	0.1
55.49197	0.1
57.03322	0.2
58.02843	0.3
59.01245	0.3
59.69277	0.1
61.98714	0.2
65.00469	0.1
70.86524	0.2
71.01260	0.2
80.04926	0.2
81.03332	6.8
82.03667	0.3
83.04897	18.1
84.05225	0.4
85.02824	1.6
87.96825	0.1
100.07574	0.3
107.06039	0.3
108.04440	0.8
117.03336	0.2
119.04900	0.6
125.02312	0.2
125.07104	1.2
126.05540	0.4
127.15423	0.1
129.01834	0.2
132.02116	0.1
133.02864	0.6
135.04413	0.5
143.08214	0.6
145.02853	0.9
147.02946	0.2
157.13411	0.2
161.02359	2.0
163.03920	0.5
175.60814	0.1
179.03351	0.8
181.17212	0.1
189.80042	0.1
191.01945	0.7
207.14961	1.8
208.13330	0.2
209.02907	0.7
222.16089	0.1
224.17642	2.5
225.16042	12.2
226.16411	0.6
242.18652	1.0
250.15675	0.2
266.04080	0.2
268.16656	0.3
285.04059	0.2
290.22214	0.3
291.20627	0.2
307.24231	0.2
309.21735	0.7
324.26505	0.7
333.23059	1.0
341.29132	1.0
350.24326	0.1
351.08765	0.2
351.24005	0.3
353.05243	0.2
353.10107	0.3
355.06668	0.3
367.27051	1.1
371.06131	0.3
385.28198	0.4
407.33975	0.2
433.31845	1.3
434.32153	0.2
450.34515	1.4
451.32898	6.2
452.33270	0.9
515.07898	0.2
515.15509	0.4
535.38519	0.2
550.43463	0.9
559.39734	0.5
565.44904	0.3
593.44281	0.8
659.48633	1.3
660.49249	0.3
677.49683	100.0
678.49994	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
56.15071	0.2
57.03315	1.0
58.00461	1.7
59.01252	43.4
60.01587	0.4
68.99706	0.6
69.03321	2.5
71.01254	34.7
72.99185	2.4
73.02822	6.0
75.00746	1.1
76.76219	0.2
78.03513	0.2
80.96396	1.5
81.03334	1.7
83.01262	3.9
83.04890	0.3
85.02817	8.4
85.55802	0.3
85.99988	0.4
87.00751	9.2
87.04395	0.3
89.02317	29.8
90.02674	0.3
91.03890	0.7
95.01263	2.7
97.02826	6.8
99.00771	2.2
99.04402	0.5
99.92464	0.6
101.02321	29.3
102.02679	0.3
103.03925	0.4
109.02847	0.4
111.00729	0.6
111.04391	1.0
113.02331	13.8
114.02670	0.3
115.03870	0.5
115.91945	1.1
116.91999	0.3
116.92729	1.2
119.03387	9.5
121.02822	0.7
123.00775	0.3
124.01547	0.2
125.02337	12.4
127.03947	0.5
129.01851	0.4
131.03394	1.5
133.04976	1.4
139.03911	1.0
141.01837	0.9
143.03394	5.0
144.03703	0.3
149.04439	1.1
149.79977	0.3
152.98555	0.3
156.95758	0.2
157.04953	0.3
161.04463	6.2
162.04756	0.3
167.03403	0.9
169.04988	0.6
171.02817	0.3
179.05530	5.9
180.05846	0.3
181.05006	0.2
185.04485	0.7
199.06087	0.7
203.05649	0.5
217.07205	0.8
219.05002	0.3
221.06601	2.1
225.00693	0.3
233.06467	0.3
235.08191	13.0
236.08493	0.8
245.06648	0.7
253.06685	0.3
253.09265	4.0
261.22205	0.6
263.07742	1.5
277.09222	0.9
277.21600	0.3
279.23276	100.0
280.23615	9.6
287.07712	2.9
293.24756	0.5
305.08731	3.4
321.24237	0.3
323.09744	1.6
361.11273	0.6
379.12424	1.1
397.13483	72.3
398.09055	0.4
398.13855	5.3
415.14560	30.6
416.14886	2.2
577.27032	0.4
625.56036	0.3
677.19977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.7
62.13762	1.9
67.90393	2.0
70.22167	1.9
71.01250	11.3
71.53206	3.7
83.04897	3.1
85.02795	8.2
87.00723	2.5
89.02307	4.2
97.02801	2.2
97.06441	7.3
101.02337	7.9
113.02310	5.0
119.03368	2.4
125.02277	2.4
125.09568	4.2
127.11128	5.0
136.22218	2.4
137.02394	3.1
137.09540	2.4
137.50005	2.1
151.11139	17.2
161.04474	2.4
163.03947	3.5
163.11223	4.8
165.12715	9.1
169.12244	100.0
170.12416	4.7
171.10199	13.8
181.12407	2.5
183.13937	2.5
185.11714	3.2
193.08383	5.0
195.10136	3.3
201.11244	35.3
202.11507	2.6
207.09959	7.8
209.11765	47.3
210.12177	3.6
211.13451	11.0
213.11307	16.7
221.11632	5.2
227.12749	5.3
229.14420	4.2
230.08620	2.3
231.09810	4.6
233.11534	42.1
234.11821	2.9
249.11095	4.7
251.12482	9.5
253.09229	6.9
261.11029	8.9
327.21710	46.5
328.21939	4.0
331.18927	4.5
349.19946	60.5
350.20093	3.9
431.19147	3.2
449.19897	6.3
459.24622	2.7
462.74600	2.6
633.31128	39.9
634.31531	8.5
659.32855	88.1
660.33020	16.6
671.67615	2.7
677.33398	32.8
678.33777	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.6
57.03319	1.1
58.00471	2.7
59.01249	37.7
61.98705	0.6
69.03323	2.5
69.41384	0.5
71.01253	33.4
72.99172	3.8
73.02820	6.5
75.00747	0.9
78.95749	0.6
79.95605	1.0
80.96379	4.2
81.03338	1.7
83.01247	4.0
84.73238	0.6
85.02817	7.3
87.00750	7.8
89.02315	27.9
91.03871	0.8
94.97968	0.7
95.01253	2.7
97.02829	5.6
97.57912	0.4
98.19727	0.7
99.00757	1.9
99.92464	1.1
101.02320	28.7
104.39388	0.4
111.00761	0.8
111.04370	0.9
113.02330	13.8
115.03918	0.7
115.91960	2.3
116.92715	2.2
119.03389	9.3
119.04917	1.3
121.02838	0.8
125.02327	12.9
131.03400	2.1
133.04955	1.2
139.03882	1.2
141.01836	0.6
143.03391	5.4
149.04390	0.6
153.98889	0.5
161.04471	7.1
163.03886	1.3
167.03384	0.8
179.05539	6.4
179.07036	0.9
199.05992	0.9
217.07083	0.8
221.06606	1.9
225.00699	0.7
235.08179	14.6
245.06609	0.6
253.09219	2.9
263.07632	1.8
277.09378	1.1
277.21695	1.1
279.23279	100.0
280.23618	10.0
287.07690	3.2
293.24872	0.7
305.08853	3.2
323.09799	1.6
361.11346	0.6
364.73065	0.5
379.12463	0.7
397.13470	73.5
398.13812	5.2
415.14566	32.7
415.18900	0.4
416.14716	2.1
577.26605	2.1
677.19171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2087
Annotation	Hexandraside E
Peak:m/z	Relative Intensity
53.04173	0.4
57.03318	0.9
59.01242	1.8
61.98702	0.8
65.20958	0.5
69.03330	0.6
69.44853	1.5
69.45237	1.3
71.01248	1.7
72.99188	0.5
76.72266	0.6
83.01256	0.8
85.02818	1.6
89.02328	0.8
93.03337	0.9
96.95870	0.6
97.02834	0.7
101.02314	0.7
109.02835	1.8
111.00764	1.5
116.92746	0.6
125.02334	1.2
132.02065	0.6
133.02849	13.5
133.03825	0.9
133.06502	0.7
135.04422	1.4
137.02344	1.0
139.03847	0.6
145.02888	0.6
161.02322	1.2
164.81963	0.6
167.03368	0.7
175.03911	3.0
177.01837	1.6
178.02614	0.6
189.01868	1.0
191.01900	0.6
191.05592	2.6
193.08720	0.6
201.01880	1.6
203.03439	0.6
205.01355	0.8
213.05489	0.8
217.08690	1.3
225.05417	0.8
227.03091	0.6
229.08611	0.8
231.06642	0.8
241.05113	0.8
245.08189	0.6
247.06113	1.2
253.05029	1.1
254.05717	0.7
258.05255	0.6
259.09796	0.8
261.07663	1.1
265.04947	0.7
269.04504	1.0
271.09561	0.7
281.04373	0.9
284.03210	1.0
285.04147	1.7
297.04019	4.5
297.07413	0.8
298.04761	5.3
299.05383	0.7
309.04004	9.1
310.04700	1.1
311.05646	4.7
312.06348	1.7
323.05582	14.7
323.09396	0.9
324.06055	1.3
330.03827	0.6
339.05157	2.2
344.05280	1.5
351.05054	1.6
351.08759	0.9
351.12219	0.7
353.10278	8.7
353.14368	0.8
354.10776	0.8
365.10306	15.3
366.10785	2.6
367.11835	8.9
368.12207	1.4
377.10175	1.9
379.07971	1.1
379.12265	0.9
381.09811	13.5
382.10022	1.6
393.09827	1.7
395.11334	100.0
396.11694	12.1
407.11258	3.4
425.12399	24.8
426.12866	2.1
437.12418	2.3
461.12790	0.7
471.09601	0.7
479.13681	0.7
497.14459	0.7
515.15594	52.8
516.15894	7.9
557.16632	1.7
677.20850	45.3
678.21313	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	677.2081
Annotation	Hexandraside E
Peak:m/z	Relative Intensity
53.34714	0.4
59.01249	1.5
61.98703	0.8
62.44244	0.5
63.99577	0.4
65.00197	0.5
65.26754	0.4
69.18096	1.1
69.18505	3.0
69.90619	0.4
71.01249	1.1
78.95787	0.5
85.02851	0.8
86.38798	0.5
98.19791	1.0
109.02850	2.1
111.06831	0.4
125.02331	0.9
133.01857	0.8
133.02841	11.3
133.03821	0.7
133.06537	0.5
137.02370	1.1
149.02347	0.8
161.02374	0.6
169.12247	0.8
171.10159	1.2
175.03976	1.4
177.01860	1.7
189.01880	1.1
201.01950	1.2
201.11316	1.0
203.03432	0.7
204.05577	0.5
209.11819	2.1
210.12039	0.5
217.08664	0.6
227.12772	0.6
231.06511	1.0
241.05000	0.8
261.07651	1.0
267.06668	0.7
268.03958	0.5
277.12210	0.5
281.04327	0.6
282.05087	0.6
283.06003	0.5
284.03568	0.6
284.06790	0.8
293.04590	0.6
297.03979	3.6
298.04733	4.3
309.04074	7.9
310.04526	1.1
311.05536	8.5
312.06223	2.9
323.05582	29.9
324.06000	4.0
330.03754	0.7
337.07230	0.8
339.04916	2.2
344.05325	1.4
351.04999	1.1
351.08734	1.1
353.10263	6.3
354.10535	0.6
365.10263	15.3
366.10641	3.8
367.11810	9.5
368.12289	1.3
377.10233	1.2
379.11890	1.2
393.09735	1.6
395.11319	100.0
396.11688	11.9
407.11194	2.3
409.13135	0.7
425.12396	23.1
426.12955	2.3
437.12479	2.8
444.38257	0.5
479.13617	0.7
515.15564	60.5
516.08710	0.8
516.15857	9.5
557.16583	26.8
558.16998	3.6
587.17627	4.8
588.18073	0.8
677.20795	16.8
677.32336	0.9
678.21252	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03313	1.7
58.00459	1.9
59.01250	52.4
60.01576	0.5
67.01748	0.3
68.99671	0.5
69.03326	2.4
69.22639	0.6
69.23048	2.1
71.01251	42.1
72.01573	0.7
72.99171	2.8
73.02815	7.2
73.03191	0.5
75.00748	1.1
77.28366	0.3
78.95776	0.9
81.03321	1.6
83.01253	5.5
83.04874	0.6
85.02821	8.7
85.99958	0.4
87.00749	11.1
87.04396	0.4
89.02315	35.7
90.02626	0.5
91.03886	0.6
92.81754	0.3
93.03334	0.3
95.01268	3.2
95.04893	0.4
97.02824	7.5
99.00768	2.4
99.04388	0.6
101.02321	36.3
102.02668	0.6
103.03905	0.5
109.02826	0.8
111.00750	0.5
111.04396	1.2
112.01521	0.3
113.02328	18.6
114.02676	0.4
115.03883	1.2
119.03384	11.6
121.02840	0.8
123.00764	0.5
123.04435	0.4
124.01604	0.5
125.02333	15.0
126.02660	0.5
127.03889	0.5
127.07572	0.4
131.03391	1.7
133.04971	1.5
137.02367	0.4
139.03894	0.9
141.01857	0.6
143.03398	6.7
149.04451	1.1
152.99495	1.3
161.04460	7.4
162.04753	0.4
167.03365	1.1
169.04944	0.5
171.02953	0.3
175.08165	0.3
179.05521	6.5
181.04839	0.3
185.04472	0.8
199.06035	0.7
203.05623	0.3
213.33084	0.3
217.07248	1.3
219.04956	0.4
221.06590	3.1
235.08186	15.0
236.08557	0.7
245.06662	0.8
253.09245	4.0
254.09509	0.4
259.20731	0.4
263.07724	1.6
275.20166	0.6
276.24600	0.3
277.09259	1.0
277.21707	100.0
278.22070	9.8
287.07751	4.0
291.23087	0.4
305.08801	3.6
323.09775	1.8
361.11307	0.6
379.12299	1.0
397.13474	78.0
398.13776	6.5
415.14563	34.7
415.18976	0.5
416.14911	2.9
593.27136	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.5
57.03317	1.6
58.00464	2.6
59.01250	61.4
62.23914	0.6
68.13116	0.5
68.99670	0.9
69.03308	3.2
70.81580	1.3
71.01250	46.5
72.01612	1.2
72.99178	2.8
73.02820	9.0
73.03202	1.0
75.00739	1.1
79.17701	0.5
81.03339	1.9
83.01260	4.8
85.02823	9.1
87.00746	10.8
87.04358	0.8
88.07069	0.6
89.02313	39.1
91.03896	0.6
93.03310	0.6
95.01257	2.9
95.55024	0.5
97.02812	6.6
99.00751	2.9
99.04334	0.8
101.02322	35.3
102.02611	0.7
103.00228	0.6
109.02824	1.1
111.00706	0.5
111.04401	1.4
113.02328	19.1
115.03900	0.7
119.03391	10.8
121.02850	0.7
124.01532	0.8
125.01433	1.1
125.02332	14.5
131.03409	1.9
133.04961	0.8
139.03943	1.3
141.01837	0.7
143.03395	7.0
149.04468	1.2
161.04446	7.5
167.03401	1.0
179.05522	8.4
185.04468	1.0
195.49272	0.6
203.05424	1.0
217.07123	1.3
219.04965	0.8
221.06618	3.5
235.08199	13.3
236.08589	0.9
245.06525	1.1
253.09293	4.3
263.07669	1.6
277.09357	1.3
277.21707	100.0
278.22049	10.2
287.07632	3.1
305.08841	3.7
323.09811	1.9
395.14038	0.6
397.13483	68.8
398.13766	6.8
415.14578	29.9
416.14984	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03320	0.3
59.01251	2.1
59.74338	0.2
61.98687	0.7
62.27729	0.2
69.03341	0.2
69.08617	0.2
71.01252	2.1
71.44694	0.2
71.45040	0.2
72.99161	0.3
73.02797	0.4
80.02545	1.0
81.03319	0.8
83.01220	0.4
83.04895	3.9
84.02031	0.8
85.02814	0.7
87.00742	0.6
89.02312	1.3
93.03362	0.2
95.01254	0.2
95.04893	0.7
97.02836	0.3
98.65120	0.2
99.00744	0.3
101.02312	1.8
107.47907	0.2
109.02818	0.3
109.06472	0.4
111.08046	0.2
113.02338	1.2
119.03384	0.4
119.04877	0.6
125.02307	0.9
125.05936	0.4
125.09641	0.4
133.47157	0.2
134.03604	0.2
135.08049	0.5
135.53560	0.2
137.02339	0.4
145.04904	0.2
151.00316	0.2
161.04442	0.8
163.03899	0.5
163.11195	3.6
164.01070	0.2
165.01849	0.2
165.12769	2.5
171.10158	3.0
179.05383	0.2
181.12253	0.8
183.13797	0.2
185.11752	0.6
191.10699	1.1
199.13275	1.0
200.13725	0.3
207.10216	0.5
209.11757	100.0
210.12103	6.0
211.13335	0.6
221.11731	0.4
225.11223	0.5
227.12825	14.9
228.13107	1.0
235.08194	1.7
241.05145	0.2
247.13396	1.4
248.13409	0.2
249.15074	0.2
253.09262	5.7
254.09753	0.2
265.14444	0.4
284.03256	0.9
289.07217	0.8
298.04843	0.5
299.05548	1.6
313.07159	1.1
315.19672	0.2
323.15118	0.2
375.25299	0.2
383.22229	0.3
401.23273	0.7
419.24542	0.3
445.20657	0.8
463.21533	0.5
471.21005	0.2
529.64252	0.2
611.30695	0.5
631.98456	0.2
636.31171	0.2
637.32379	1.3
655.32800	0.3
673.15588	0.2
673.32867	0.4
680.64404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.2
59.01249	1.9
71.01249	1.8
73.02829	0.3
80.02540	1.0
81.03333	1.2
83.01247	0.5
83.04896	4.2
84.02054	1.0
85.02821	0.4
87.00768	0.3
89.02320	1.1
93.03345	0.4
95.04903	0.7
97.06512	0.2
98.20657	0.4
101.02316	1.4
103.42789	0.2
113.02324	0.9
119.03405	0.4
125.05984	0.5
125.09590	0.4
135.08046	0.7
143.03447	0.2
145.04999	0.2
149.09596	0.3
154.43138	0.2
161.04471	0.8
163.11201	3.4
165.12749	2.1
171.10165	2.8
181.12276	0.6
185.11688	0.3
191.10764	0.9
199.13335	0.4
209.11780	100.0
210.12125	6.2
211.13301	0.5
214.72968	0.2
218.03114	0.2
221.11734	0.4
227.12845	12.7
228.13174	1.2
229.12018	0.2
235.08209	1.9
241.11449	0.2
247.13342	1.2
249.14877	0.2
253.09245	5.7
254.09741	0.2
265.14465	0.4
401.23196	0.4
407.19324	0.2
419.24445	0.5
445.20776	0.8
634.48840	0.2
637.32220	0.7
655.33136	0.4
673.33124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03321	0.9
58.00457	2.5
59.01245	9.5
61.98699	5.9
69.03323	1.0
71.01250	48.6
71.04902	1.2
71.32477	2.0
73.02810	4.1
75.69066	1.0
78.95799	1.2
81.03322	2.5
83.01237	2.0
83.04896	5.0
84.02026	1.3
85.02814	3.6
87.00734	3.2
88.16392	1.1
89.02295	4.2
95.01230	1.1
95.04886	2.0
97.02804	3.3
97.16328	1.0
99.00738	4.6
101.02326	9.6
109.06480	7.8
113.02308	4.1
123.08017	1.4
125.02276	1.1
125.09588	3.3
127.11168	1.7
135.08067	1.7
142.02591	1.1
145.04941	1.9
153.12685	1.3
155.14281	1.3
161.04485	2.9
161.09576	1.2
163.11200	9.2
165.12767	4.3
167.10670	1.7
171.10185	8.9
179.10716	1.2
181.12224	6.0
183.13809	13.5
185.11708	3.1
193.12263	2.7
197.11652	1.9
199.13322	30.6
200.13623	2.2
201.11269	9.1
207.10196	26.7
208.10497	2.0
209.11765	75.2
210.12080	3.5
211.13332	100.0
212.13673	5.4
215.12766	2.4
225.09222	1.9
225.11259	20.9
226.11522	1.6
227.12836	79.3
228.13179	4.0
229.14421	2.6
235.08151	6.7
235.13213	1.9
237.14859	1.1
243.12260	2.0
245.13773	1.2
247.13380	3.0
253.09232	15.2
253.14326	1.5
265.14313	1.6
357.24472	1.3
373.23837	1.7
375.25781	1.3
383.22144	3.0
401.23389	6.2
419.24377	4.7
437.25348	2.0
443.19131	1.2
445.20679	1.5
447.22458	2.6
461.20529	5.1
463.21866	15.8
549.42474	1.1
637.31989	7.1
638.32422	1.3
655.33209	12.3
656.33673	2.9
673.34235	23.5
674.34662	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	673.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70373	2.2
57.03313	3.8
57.70486	2.1
59.01239	3.9
61.20526	2.2
63.02263	5.2
65.00193	9.4
68.99686	2.4
69.03320	2.2
71.01260	14.6
71.04284	2.3
71.08295	4.4
72.99184	14.1
74.19083	2.0
78.18497	2.1
83.01248	13.2
85.02831	7.3
89.02328	3.7
92.13077	2.4
93.03341	3.2
95.01270	8.1
97.02815	3.3
98.15686	2.0
99.00769	7.6
101.02319	2.9
107.01259	15.4
109.02838	13.7
111.00753	7.3
113.02333	9.4
121.02768	3.7
123.00751	5.7
124.01577	2.6
125.02348	39.3
133.01340	3.2
133.02821	7.0
135.00790	5.2
135.04268	2.4
137.02345	21.3
137.89647	2.5
139.00262	17.4
139.36583	2.1
141.01787	11.4
148.01584	4.0
149.02336	7.8
151.00273	53.6
152.01019	8.4
153.01842	34.2
159.02922	6.5
159.04231	3.1
161.02316	2.8
163.00276	37.0
164.00688	4.8
164.34711	2.2
165.01852	17.9
166.99777	14.5
168.00496	4.1
169.01369	23.4
175.03815	3.3
177.01848	7.2
178.99782	100.0
179.05504	2.8
180.00160	7.1
181.01347	42.9
182.02119	3.5
183.02901	4.1
185.00873	4.0
190.99780	13.3
191.03435	2.8
192.00507	3.7
193.01389	17.5
194.99261	3.7
197.00868	4.7
199.02376	9.2
199.03975	5.6
201.05402	2.8
203.03455	4.3
205.05006	2.3
206.99289	17.7
207.02934	5.4
208.00021	9.8
209.00864	45.4
209.02827	3.4
210.01152	3.4
217.05037	2.8
219.02959	5.6
225.00307	19.6
227.03464	8.6
229.05017	4.0
231.03006	5.2
233.04628	2.6
235.02420	4.9
243.02954	8.3
245.04535	5.2
247.06006	3.8
255.02937	14.1
257.04550	4.1
259.02524	2.6
261.03949	3.9
267.05017	2.9
271.02521	19.2
273.04126	13.7
283.02515	11.7
284.03195	3.6
285.03989	4.9
289.03513	5.2
291.05185	3.8
299.01935	27.1
300.02499	7.9
301.03546	50.0
302.03848	4.6
316.01816	3.0
317.02969	54.2
318.03421	5.6
335.03995	16.0
336.05045	5.1
337.07831	10.4
355.08749	6.3
355.54520	2.9
519.10071	11.9
520.10413	10.3
535.08923	3.6
537.11151	2.6
547.09521	12.1
563.08923	2.5
628.92737	2.8
639.11987	5.6
655.10980	4.2
656.11786	2.8
673.12469	14.4
674.13000	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	671.4012
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.72093	0.4
57.03325	0.4
57.23309	0.3
58.63254	0.3
59.01250	1.9
61.98692	1.3
62.11953	0.4
63.30098	0.3
69.27222	0.7
69.27631	2.0
71.01257	0.8
74.40823	0.3
85.02804	1.0
87.00755	0.7
89.02275	0.4
99.04352	0.5
109.06422	0.5
112.10426	0.3
113.02301	0.4
114.14194	0.3
135.08133	0.4
136.05167	0.4
137.05978	0.5
137.09616	0.7
148.82607	0.3
149.06003	4.1
150.06764	33.7
151.07207	1.5
151.77325	0.4
155.10776	0.4
161.09633	1.0
163.03989	0.4
163.07547	8.3
163.11185	0.5
164.08348	4.9
171.10187	0.6
175.03813	0.5
176.08340	1.5
177.09146	0.5
178.09882	2.5
179.10704	10.8
193.08733	0.4
207.10175	1.3
209.11748	2.5
210.12335	0.4
211.13290	0.4
225.11302	2.0
227.12831	0.9
253.09270	0.5
265.21573	0.6
271.90036	0.4
285.20612	0.5
318.50693	0.4
327.25412	1.0
329.23273	5.6
330.23413	0.8
386.73135	0.4
430.30969	1.1
445.33115	0.9
446.33884	0.7
448.32059	7.7
449.32147	1.2
462.33609	1.2
463.28317	0.7
463.34360	9.9
464.34683	1.3
476.31308	0.5
490.32819	2.2
491.33652	2.8
508.33957	2.7
509.34811	25.7
510.35284	3.5
551.36145	0.5
592.91254	0.4
634.09052	0.4
653.31506	0.6
671.40131	100.0
672.40491	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3774
Annotation	Kirkinine
Peak:m/z	Relative Intensity
59.01249	6.7
61.98691	9.9
62.15662	1.6
68.07034	1.4
71.01257	6.2
71.52563	1.9
73.93537	1.9
76.28246	1.7
78.95775	5.5
82.02854	2.2
87.05544	3.4
89.02328	3.3
97.63712	1.7
101.02344	1.8
109.02861	2.0
109.03944	3.4
109.06491	3.1
115.03355	1.9
115.08780	1.9
115.19452	1.8
116.04973	2.4
119.04901	6.6
122.04799	2.5
123.03175	2.1
125.09605	2.5
127.05045	17.1
128.03424	5.4
129.10237	6.2
130.08649	1.8
135.04454	2.3
137.02345	2.1
140.07144	3.1
145.02811	2.1
149.22758	1.6
150.37299	1.8
152.99522	5.0
163.03973	5.9
163.11203	5.1
165.05437	3.2
165.10275	15.0
166.08629	3.8
166.10759	1.9
171.10178	3.9
174.05576	3.3
180.07819	2.4
181.09798	2.9
182.12866	8.8
183.11349	2.9
185.11798	2.1
200.13972	19.2
201.11276	3.0
207.10143	15.2
208.10838	31.7
209.09515	3.5
209.11748	31.7
210.12178	4.1
211.13339	2.6
214.08714	3.5
225.11259	17.9
226.11905	24.8
227.12775	6.1
228.17270	1.9
253.09424	4.4
255.23401	5.7
264.78027	2.3
278.18771	2.3
281.19769	2.3
283.02609	1.8
299.20825	2.7
329.06754	4.8
367.08578	3.4
378.72055	2.4
392.23102	2.4
410.24066	81.3
411.24249	9.1
461.20227	3.1
463.76413	1.8
486.27390	3.1
635.30554	2.7
653.37396	17.5
654.36658	2.5
671.38007	100.0
672.38214	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	671.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.4
60.34304	0.6
61.98707	3.2
69.03322	1.2
69.35478	0.6
69.65241	3.5
71.01263	2.7
78.95756	0.8
83.04893	1.4
86.49433	0.6
87.00789	0.7
89.02356	1.0
91.05423	0.8
93.03329	1.2
97.02825	1.4
101.02293	1.1
109.06416	0.6
111.04424	0.9
112.72492	0.6
113.02319	1.0
115.17807	0.7
117.03339	1.3
119.04915	90.2
120.05216	3.8
135.04395	1.2
145.02869	3.0
151.00281	0.9
161.02341	7.1
162.03136	1.2
163.03914	47.7
163.11197	1.9
164.04279	2.6
169.12267	0.7
171.10182	2.5
177.05453	0.9
181.12164	0.8
183.04457	0.9
185.00899	0.7
185.02406	1.3
197.11662	0.9
203.01813	1.3
203.03465	2.6
207.10149	4.5
209.11777	12.5
211.13390	5.5
220.66493	0.6
223.09613	0.7
223.13385	0.9
225.11305	7.5
226.06410	1.4
227.03429	9.7
227.12762	3.3
235.08212	1.2
241.08586	1.0
241.10797	1.1
243.03047	1.5
253.09247	2.2
271.02454	17.3
272.02917	1.9
272.61752	0.7
285.03995	2.7
299.01953	56.9
300.02228	4.5
313.03561	3.3
314.04303	52.6
315.04602	5.4
327.08533	0.9
328.05783	1.5
329.06647	100.0
330.07025	9.6
417.22815	1.1
461.20496	2.0
490.78613	0.9
555.31311	0.7
580.88373	0.8
635.30493	1.5
653.31897	2.6
671.17688	30.3
671.32880	4.2
672.18030	7.1
672.34082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36782	0.5
57.03311	2.2
59.01250	7.5
61.98704	3.4
65.00185	2.3
67.01741	0.9
68.99682	0.6
71.01252	10.3
71.53628	0.6
72.99175	3.8
73.02785	0.7
75.00748	4.1
78.63391	0.5
83.01254	1.9
84.02040	0.7
84.35534	0.6
85.02825	21.2
85.03345	1.1
85.04788	0.7
85.70859	0.6
87.00742	3.1
89.02312	1.9
93.03345	0.7
95.01261	5.3
96.95879	0.8
99.00755	6.5
101.02299	1.7
103.00250	3.9
107.01264	1.6
108.02059	0.9
111.00751	1.2
113.02332	40.1
114.02647	1.0
114.08347	0.5
115.00256	1.2
117.01826	1.7
121.02822	2.0
123.00773	3.1
125.02314	1.3
129.01808	1.9
133.02840	0.6
134.03581	0.8
135.04408	1.1
137.02350	3.1
139.00229	0.9
149.02263	0.6
151.00281	4.2
152.01044	1.3
152.99564	0.7
157.01320	1.1
161.02350	2.5
166.99715	0.8
167.03368	1.4
175.02417	10.5
175.03915	1.8
179.03397	0.9
193.05045	0.7
203.03412	1.1
209.11736	1.6
227.03450	2.3
255.23279	0.9
255.70248	0.7
256.03979	0.7
269.04440	0.6
271.02448	5.4
283.02432	0.9
284.03311	0.7
285.04117	2.9
298.04904	1.1
299.01978	33.2
300.02432	6.0
301.03546	0.7
311.05548	0.7
313.03522	4.8
313.07263	1.6
314.04297	28.7
314.07944	1.4
315.04779	4.1
328.05920	1.0
329.06662	32.3
330.06992	3.0
333.04056	0.6
361.03452	1.0
374.04108	0.7
389.02878	1.0
404.05472	0.7
405.06052	2.7
419.07785	3.6
436.08212	1.3
437.08829	1.2
448.04108	0.9
449.05148	1.2
451.10394	1.3
463.06714	5.6
480.07083	1.6
481.07767	1.5
495.09341	100.0
496.09625	16.0
537.10199	1.1
543.02808	0.7
671.12433	7.7
671.32129	0.8
672.12970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3853
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03313	1.2
59.01226	1.1
68.11455	0.3
70.57793	0.4
71.01236	0.7
71.08154	0.4
73.02821	0.4
83.04866	0.3
85.02823	0.5
87.00735	0.8
97.90475	0.3
99.04414	0.5
101.02313	0.7
101.47173	0.3
107.95200	0.4
109.06494	0.4
111.07981	0.5
111.12007	0.3
113.05949	0.6
123.04336	0.4
135.08052	0.5
135.67299	0.3
136.05212	0.7
138.84152	0.3
148.00201	0.4
149.05977	5.5
150.06764	43.3
151.07115	1.7
155.10689	0.4
157.08566	0.9
161.09622	0.6
162.06772	0.5
163.07547	9.9
164.08347	5.4
169.37910	0.3
171.10136	0.5
176.08363	1.6
178.09914	3.6
179.10687	12.6
180.10986	0.9
193.08665	0.5
200.99794	0.4
209.11742	1.7
223.13300	0.8
252.66434	0.4
263.20221	0.8
281.21234	0.6
283.19104	0.6
325.23767	0.9
327.21722	4.6
328.21921	0.7
389.23053	0.4
428.29260	1.1
443.31546	0.8
444.32370	0.5
446.30353	8.7
447.30579	1.2
460.31879	1.2
461.32697	10.3
462.32962	1.5
488.31339	1.5
489.32489	2.2
506.32214	2.6
507.33237	25.2
508.33682	4.4
669.38531	100.0
670.38885	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01246	4.7
61.98694	1.1
69.03321	2.0
70.06224	1.0
71.01251	3.6
71.04884	0.8
73.02813	0.8
78.95757	0.4
80.02554	1.1
81.03336	1.4
83.01244	1.1
83.04893	4.8
84.02036	0.8
85.02817	1.3
87.00710	0.8
89.02300	1.8
95.01262	0.5
95.04890	1.0
101.02310	2.6
109.06481	0.6
113.02327	1.6
117.03352	0.5
119.03370	0.6
119.04907	1.8
124.66630	0.4
125.05978	0.5
125.09541	0.3
133.02899	0.5
135.04449	0.4
135.08037	0.6
145.02864	1.0
149.09569	0.4
151.00287	0.4
152.99452	0.4
161.04459	1.3
163.03922	1.2
163.11154	3.2
165.12727	2.1
167.10672	1.9
171.10164	2.5
179.05579	0.8
179.10654	1.0
179.14313	2.8
181.12244	0.8
191.10666	1.0
195.13828	8.1
195.15572	0.7
196.14139	0.5
205.12289	7.9
206.12654	0.5
207.10036	0.4
209.11760	100.0
210.12123	5.7
223.13335	77.4
224.13684	4.3
227.12825	14.2
228.13112	0.6
235.08186	3.2
241.10742	0.4
253.09238	9.2
254.09465	0.6
261.14951	2.3
284.03217	0.7
339.30481	0.4
397.24066	0.6
415.24759	0.6
433.26074	0.5
441.21356	0.6
445.20602	1.6
459.22311	6.2
460.22507	0.7
475.10364	0.8
548.08667	0.4
633.32581	0.7
651.34052	0.9
669.31580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31364	0.6
59.01242	1.7
61.40654	0.6
69.27497	0.7
71.01244	1.3
83.01245	0.8
84.57472	0.6
84.72141	0.8
85.02805	1.9
95.29594	0.7
101.02299	1.0
109.02846	1.2
118.59479	0.8
121.02849	1.3
125.02301	1.6
135.04367	1.3
137.02261	1.7
150.43118	0.8
151.00296	0.8
153.01794	1.4
167.03532	0.9
169.43750	0.7
224.48866	0.9
267.02921	0.9
285.03897	1.1
290.18503	0.9
295.02478	2.4
296.03128	1.5
323.01953	3.4
324.02701	10.1
325.03116	1.6
337.03470	0.9
338.04193	3.8
339.05026	12.5
346.04620	1.0
353.06573	1.4
359.05457	1.0
374.04382	1.1
375.05078	2.5
377.97601	0.7
386.04337	0.9
387.05139	2.0
402.03775	1.4
403.04547	2.2
414.03885	6.1
415.04251	3.3
416.05396	1.9
417.06076	2.4
418.06802	0.9
430.07251	1.6
431.03732	4.1
432.04639	1.3
437.36768	0.7
444.04294	1.3
445.05667	8.5
446.06259	8.0
447.07074	4.9
448.07114	0.8
460.07803	3.0
461.08783	14.4
462.09122	2.5
463.10294	1.2
475.10010	0.8
477.08481	1.2
491.09869	2.1
492.10571	1.7
506.11816	0.9
507.13022	16.6
508.13089	2.8
608.12122	4.1
609.12024	2.4
610.13019	0.9
623.14185	5.1
639.13983	0.8
654.15900	4.9
655.15814	1.4
669.18225	100.0
670.18585	18.9
670.28601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.0
61.98692	5.2
69.03320	3.8
71.01257	6.2
71.04893	1.5
78.95774	3.2
85.02802	1.7
87.00707	1.4
87.99358	1.3
89.02310	2.4
99.00685	1.4
101.02340	3.9
113.02293	2.8
119.04939	6.4
125.09612	1.6
127.01354	1.2
128.00424	1.1
129.15144	1.4
145.02840	2.1
149.94781	1.3
150.72328	1.5
151.11159	2.4
153.12785	1.8
161.09642	2.8
163.03912	3.6
168.77220	1.2
179.10695	6.1
197.11768	78.9
198.12082	4.7
209.11781	42.9
209.13789	2.2
210.12029	2.8
223.09650	2.6
223.13547	1.2
227.03438	2.7
241.10709	2.7
253.09296	3.1
271.02493	2.8
281.52737	1.3
299.01987	8.2
300.02527	2.6
313.03461	4.7
314.04285	7.5
315.05014	1.8
334.31104	1.2
459.18063	1.7
477.19894	3.5
505.11343	11.0
506.11810	2.7
669.31262	100.0
670.31665	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	667.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.7
64.86343	0.4
67.78007	0.5
71.01243	2.6
73.02784	0.5
78.95777	0.5
89.02319	0.6
101.02322	1.3
113.02335	1.0
119.03393	0.6
125.09578	0.7
127.11197	1.6
161.04466	0.8
171.10181	88.4
172.10495	3.9
175.95927	0.5
209.82547	0.5
235.08192	2.6
253.09261	5.8
277.21713	100.0
278.22061	9.7
346.12164	0.5
409.34344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08120	0.8
59.01238	3.4
60.81514	0.9
61.98708	5.5
66.59661	0.9
67.50993	0.9
71.01228	1.5
71.19781	1.4
74.34033	0.9
76.35137	0.9
77.53753	0.9
78.95808	1.9
83.04951	0.9
87.25047	0.9
107.01276	1.4
109.02844	1.2
110.49442	0.9
117.03300	1.6
119.04923	15.5
120.05258	1.1
145.02896	2.2
151.00322	1.6
152.99477	2.0
160.01474	1.1
161.02367	12.6
163.03918	10.5
164.04315	1.2
171.10126	1.1
176.04727	1.4
183.04446	1.7
185.02362	3.2
187.00247	1.1
195.13870	2.5
199.03932	2.4
203.03426	6.2
205.12187	2.4
209.11769	15.9
214.02448	1.2
215.03381	2.1
223.13330	19.9
225.11264	1.7
226.02649	3.8
227.03459	16.0
227.12918	4.8
228.03778	1.1
229.01366	1.6
229.87868	1.1
235.08192	1.8
242.02106	2.5
243.02924	4.0
253.09230	2.5
255.23210	2.4
270.01645	5.3
271.02487	30.7
272.02930	2.3
285.04056	13.9
299.01947	77.2
300.02548	13.9
313.03537	34.9
314.04279	61.9
315.04770	7.5
329.06717	1.9
367.08017	1.1
367.83130	1.1
459.22244	2.6
505.11395	100.0
506.11868	14.2
644.87433	1.1
669.33154	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	667.2185
Annotation	Dadahol B
Peak:m/z	Relative Intensity
59.01241	1.1
61.98697	2.7
71.52138	0.6
82.38614	0.6
93.03339	1.4
107.78648	0.7
117.03343	12.1
119.04913	100.0
120.05228	4.6
121.02864	3.0
123.04374	1.0
133.02846	1.2
134.03696	0.8
145.02855	39.7
146.03194	2.3
162.03127	4.1
163.03922	71.3
164.04280	3.0
167.99730	0.6
168.01578	0.6
177.05554	0.7
199.23782	0.8
207.10190	1.6
223.13329	2.5
225.11304	3.2
248.51614	0.6
323.09213	0.9
341.10187	1.5
367.08221	1.7
371.11591	1.5
461.20279	1.2
521.18243	6.1
522.18677	1.4
523.62976	0.6
558.69238	0.7
622.19489	0.7
667.22040	13.9
667.32690	1.2
668.22412	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	667.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.5
57.03316	2.5
59.01249	46.2
61.98677	2.6
63.77267	1.9
69.03313	3.5
69.78129	2.1
71.01247	39.4
73.02800	7.8
75.92168	1.9
78.95766	3.7
83.01244	6.5
85.02810	15.0
85.99979	1.8
87.00731	6.5
88.98685	2.8
89.02312	22.3
95.01213	2.1
97.02795	5.4
98.19836	4.4
99.00761	2.7
101.02317	29.5
109.02850	2.9
113.02343	15.2
113.03027	2.6
118.27558	2.0
119.03369	8.8
119.04921	4.8
121.02795	1.9
125.02333	13.4
133.02861	2.0
137.02333	2.5
143.03384	5.0
161.02345	2.3
161.04430	6.4
163.03983	2.4
167.03448	2.2
179.05481	4.4
209.11768	81.8
210.12149	4.9
235.08167	11.4
271.05536	2.0
273.85324	1.9
285.03958	6.3
287.07745	2.7
305.08725	3.4
313.03577	12.6
314.04044	3.0
369.09964	2.3
397.13486	100.0
398.13879	8.8
415.14563	31.8
607.26703	4.6
607.36884	22.4
625.37860	17.3
626.39124	2.4
663.30884	2.3
667.39166	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	667.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
62.97751	0.1
71.01258	1.1
71.08468	0.3
71.08824	0.2
73.02796	0.2
83.04869	0.2
85.02808	0.4
89.02315	1.2
95.01226	0.1
97.06401	0.2
97.45078	0.2
98.51644	0.1
101.02301	1.1
113.02327	0.6
119.03426	0.2
123.08066	0.2
125.09602	0.9
127.11174	1.8
143.03363	0.2
153.09096	0.5
161.04463	0.4
171.10175	100.0
172.10510	4.9
222.76205	0.2
233.22656	0.2
235.08186	1.1
253.09258	5.0
254.09474	0.2
259.20630	0.3
277.21707	48.4
278.22061	5.0
333.96402	0.2
391.06396	0.2
407.19049	0.7
693.25610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29900	0.3
57.03315	0.8
59.01253	1.8
67.01748	0.3
69.03315	0.5
70.95205	0.3
71.01252	13.4
71.08849	0.5
72.08792	0.3
72.99185	2.7
73.02803	0.8
75.00716	0.7
75.54347	0.3
83.01250	2.3
85.02822	4.9
85.43362	0.3
87.00756	0.9
89.02315	1.8
93.03365	0.3
95.01253	2.0
99.00755	1.8
101.02322	2.2
103.00269	0.4
109.02750	0.4
113.01615	0.5
113.02329	5.7
115.00255	1.9
123.04440	0.3
125.02300	0.5
131.03371	0.5
133.01340	2.7
137.02313	0.6
139.00240	1.0
149.02306	0.5
151.00221	0.5
157.01416	0.4
161.02400	0.5
161.04446	0.8
175.02406	0.4
179.17044	0.3
185.00845	0.5
187.08011	0.3
243.02930	0.4
268.03729	1.1
271.02463	26.0
272.02823	2.3
285.04056	2.3
296.03180	0.6
297.03870	0.7
299.01959	43.2
300.02316	4.1
313.03543	4.6
314.04306	56.1
315.04639	5.4
319.06744	1.5
328.05530	1.4
329.06653	100.0
330.06979	9.1
337.07748	12.6
337.10861	0.2
338.08060	0.7
357.06497	0.4
371.07614	4.0
372.08267	0.4
487.08731	0.8
533.13171	0.9
605.14935	0.7
667.15100	8.5
667.25562	0.5
668.15320	1.6
678.38879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2181
Annotation	Dadahol B
Peak:m/z	Relative Intensity
59.01252	1.5
59.45702	0.5
61.37688	0.4
61.98705	1.5
70.47692	1.4
71.01252	0.7
78.95771	0.6
80.88994	0.4
85.02806	0.5
85.53802	0.5
93.03333	1.4
96.95892	0.8
99.16483	0.6
117.03345	18.4
118.03732	0.6
119.04912	100.0
120.05270	4.0
121.02859	1.5
133.02832	1.0
133.18082	0.5
134.55904	0.5
145.02847	47.2
146.03203	1.7
152.99461	0.6
163.03912	73.7
164.04208	3.4
177.05484	0.6
199.03754	0.6
225.11342	0.7
279.06531	1.8
283.93185	0.6
285.04083	1.3
293.17917	0.6
294.08923	1.7
299.05527	0.7
306.08908	0.7
309.07840	0.6
309.11182	0.8
319.85840	0.6
338.08054	1.8
353.10190	1.6
367.08334	0.7
471.14240	0.7
473.16077	2.4
481.68451	0.6
485.16010	29.2
486.16446	4.9
503.17026	0.7
563.34454	1.1
581.35480	1.0
649.20563	7.6
650.21704	1.2
667.21875	37.0
668.22192	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	667.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03328	0.5
59.01242	2.0
64.49632	0.2
68.99687	0.4
69.38882	2.2
71.01249	10.8
72.99171	1.5
73.02813	1.0
83.01250	2.4
85.02814	3.8
89.02309	1.1
95.01276	1.4
96.70157	0.3
99.00754	1.2
101.02329	1.7
102.58038	0.3
111.86205	0.3
113.02326	5.1
115.00252	1.9
133.01300	1.2
139.00206	0.5
149.02356	0.6
161.02328	0.5
161.04427	0.7
173.04510	0.3
227.03442	0.5
231.09482	0.3
243.02939	0.5
268.03641	0.5
271.02469	21.5
272.02823	1.5
284.03119	0.4
285.04028	2.0
297.03979	0.6
299.01956	38.3
300.02325	3.4
313.03503	4.5
314.04300	34.9
315.04767	3.3
319.06720	1.0
328.05862	0.6
329.06647	100.0
330.06982	10.0
330.10165	0.2
337.07724	8.2
357.06238	0.3
371.07678	1.1
380.26566	0.4
432.38034	0.3
533.12756	0.8
605.14899	1.0
627.73804	0.3
667.15161	7.2
668.15430	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01248	1.6
68.99714	0.3
71.01250	8.0
71.07104	0.4
72.99179	2.0
73.02831	0.7
75.00729	0.3
80.18482	0.2
83.01259	1.6
85.02826	3.2
87.00769	0.5
89.02330	0.8
89.59505	0.2
92.96633	0.2
95.01248	1.4
99.00752	1.2
101.02326	1.6
102.00591	0.2
113.02322	4.1
115.00262	1.8
119.03499	0.2
125.02337	0.7
128.03392	0.4
131.03432	0.5
133.01320	1.2
137.02344	0.5
137.41495	0.2
139.00276	0.4
149.02428	0.3
151.00304	0.4
151.03931	0.3
161.02370	0.7
161.04491	0.6
164.04756	0.3
165.01891	0.2
167.03378	0.6
223.06073	0.3
227.03372	0.6
239.40944	0.2
243.02986	0.4
247.43965	0.2
268.03775	0.5
271.02454	18.0
272.02798	1.2
284.03180	0.5
285.04007	2.7
297.04031	0.6
299.01950	34.7
300.02359	3.3
313.03549	3.7
314.04300	29.1
315.04617	2.9
319.06641	1.0
328.05630	0.4
329.06644	100.0
330.06970	8.7
337.07761	9.4
338.08090	0.6
357.06265	0.3
371.07602	1.2
487.08740	0.6
533.12817	0.8
605.14233	0.4
623.16296	0.3
667.15082	7.9
668.15387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.8
59.01248	7.3
61.98687	6.4
69.03343	1.2
69.94502	4.4
71.01263	6.0
72.22497	1.2
73.02811	2.2
81.03300	1.6
83.01266	1.6
83.04903	2.5
85.02825	3.1
87.00735	1.3
89.02306	3.8
92.02473	1.1
97.06461	10.4
101.02330	5.5
113.02324	1.7
119.04889	1.3
123.08046	5.0
125.09613	77.1
126.09949	2.1
161.04393	1.9
163.03891	1.7
163.11131	2.3
165.12711	2.5
169.08582	2.5
187.09682	53.4
188.10017	2.7
199.13304	1.2
209.11771	40.4
210.12280	1.8
227.12849	4.9
253.09264	4.2
261.13303	1.2
299.05435	1.5
405.17612	4.6
423.18774	11.5
444.15262	1.2
551.05811	1.3
615.29919	5.8
633.31268	100.0
634.31573	18.9
665.35028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94737	1.4
57.03301	2.1
59.01255	16.6
59.77031	1.6
60.10608	1.6
61.98701	5.6
71.01254	24.0
71.41917	1.9
71.42257	1.7
73.02825	5.6
78.95789	5.6
78.98469	3.6
79.95609	8.4
80.96389	45.2
82.95966	5.1
83.01270	5.4
85.02818	8.0
87.00755	30.3
89.02320	12.6
92.98981	1.8
94.97961	12.1
95.01258	2.5
97.02840	2.5
101.02329	12.6
113.02324	14.5
113.63495	1.7
115.03931	2.0
119.03436	3.4
122.63391	2.1
122.97472	2.6
125.02306	5.2
131.03499	2.3
134.97418	3.6
143.03374	4.3
145.81799	1.8
146.14514	1.8
148.99042	3.2
152.98506	6.1
152.99541	3.9
161.04486	5.8
164.98497	8.3
166.97902	2.0
179.05508	6.1
186.97871	1.7
206.99611	2.3
225.00697	13.0
273.22198	2.2
277.21716	48.2
278.21960	5.4
291.23355	11.6
299.04410	3.9
319.22931	5.1
323.09824	15.7
332.64297	1.8
341.10855	33.4
342.11163	2.6
425.34116	3.4
577.26837	100.0
579.27405	18.1
601.32147	6.1
602.31927	2.2
662.24854	3.1
662.41571	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	661.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78363	2.1
57.03326	4.5
59.01250	5.1
59.76062	2.0
71.01266	3.7
87.00749	2.4
89.02313	2.9
97.06454	14.3
101.02332	4.3
113.02293	2.2
123.08031	8.6
125.09612	82.0
149.83844	2.1
153.58302	2.6
187.09660	28.7
193.27219	2.7
201.91235	2.3
255.23256	48.6
256.23599	5.7
341.14832	2.6
405.17590	5.5
423.19055	3.1
475.41006	2.5
576.30469	2.6
661.41699	100.0
662.42328	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	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30431	0.3
59.01239	1.4
61.98682	0.5
69.03310	0.4
70.90669	0.6
71.01253	1.1
72.99184	0.4
73.02786	0.5
85.02824	0.6
89.02344	0.4
93.03331	36.6
94.03674	1.3
99.00779	0.4
113.02302	0.6
119.04906	0.6
119.74323	0.3
121.02802	0.3
125.02332	0.4
137.02338	100.0
138.02661	3.5
148.05193	4.5
163.07550	2.9
164.55162	0.3
171.10176	0.6
175.04001	0.4
201.11290	1.1
209.11705	0.5
381.13544	0.9
411.14590	0.4
439.16034	0.4
499.18842	0.3
619.20538	1.6
620.21063	0.4
675.58380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01256	7.8
61.98705	3.3
69.03315	1.7
69.18466	1.2
69.91038	5.8
71.01244	7.2
72.99183	12.2
83.01254	1.6
85.02822	5.9
87.00756	2.0
89.02307	4.5
93.03344	2.8
95.01241	1.4
101.02293	4.6
109.02840	1.5
113.02301	5.6
117.03357	22.2
119.03506	2.5
119.04914	74.4
120.05240	2.9
121.02825	4.1
122.20351	1.4
124.01571	1.6
125.02323	3.2
129.01785	1.3
132.02049	23.1
133.02765	1.2
134.03618	3.9
135.04395	1.9
137.02362	1.9
144.77138	1.2
145.02852	96.9
146.03198	4.6
147.04384	1.5
149.02324	15.2
160.01572	79.0
161.02258	5.6
163.03918	49.3
164.04710	9.5
173.05885	1.6
175.03917	100.0
176.04271	5.1
179.03427	2.1
190.02638	4.3
191.01784	2.1
191.03340	3.2
193.01442	2.0
193.04950	5.5
205.05003	6.8
208.03755	3.6
209.04605	1.3
209.08667	1.0
211.07660	1.7
217.04970	4.9
223.06116	13.1
277.07239	1.5
285.04132	1.5
300.73410	1.2
307.08228	8.9
321.15427	1.6
368.05820	1.2
439.12482	7.2
440.13306	1.4
457.13498	37.4
458.13870	3.3
469.13403	3.6
487.14536	21.1
488.14883	3.8
499.14468	1.6
517.15570	5.5
663.19238	34.5
664.19470	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	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36238	2.5
54.77441	2.3
58.00473	3.2
59.01255	43.4
61.98698	6.3
63.78281	2.7
70.09627	9.3
70.09967	2.1
71.01253	52.4
72.99182	4.7
73.02809	4.8
75.12633	2.4
78.95776	14.7
78.98450	5.5
79.95615	10.4
80.96385	57.4
82.95973	4.9
83.01265	3.2
85.02818	8.8
87.00750	13.5
89.02316	38.8
94.22564	2.5
94.97951	11.1
95.01263	3.9
96.97503	2.6
97.02856	2.9
101.02328	23.1
106.97974	2.7
113.02333	15.4
119.03378	18.4
122.97459	6.0
126.72788	2.9
131.03458	3.4
135.37697	2.6
143.03412	6.7
148.99030	3.5
149.04379	3.4
152.98474	5.0
152.99568	6.2
161.04457	8.8
164.98514	10.2
171.00438	4.8
176.56354	2.4
179.05547	20.9
182.99564	3.0
206.99625	3.4
225.00684	14.5
277.21719	85.9
278.22119	8.8
287.76144	2.5
291.23441	4.6
323.09818	23.0
326.04584	2.5
341.10876	55.0
577.26843	100.0
579.26910	24.8
580.27228	2.6
601.32166	9.4
662.24524	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	661.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30408	0.9
57.03293	1.1
59.01242	2.1
61.98685	2.9
71.01245	2.5
71.53265	1.2
85.02811	2.4
93.03335	1.9
96.95908	1.3
101.02323	1.8
113.02366	1.7
116.92732	1.3
117.03333	11.6
119.04875	1.0
125.02318	2.0
135.04341	2.3
137.02367	1.3
160.01582	1.6
160.82658	1.0
161.02348	1.2
163.03937	1.3
171.10226	1.4
175.03897	3.4
177.01804	2.8
187.03943	2.4
189.01804	3.3
189.05284	1.0
197.11728	3.7
201.11275	1.9
209.11795	4.1
217.08568	2.3
217.94485	1.0
227.12923	1.5
229.08554	1.3
247.09569	1.0
281.04584	1.7
282.05389	5.0
293.04660	2.3
295.06082	21.0
296.06677	4.9
307.06085	76.0
308.06509	6.6
317.04568	1.6
323.05508	1.9
328.05783	4.8
335.05585	6.0
335.09286	2.0
337.10797	3.1
339.04974	1.2
349.10571	5.4
350.11453	5.1
350.26874	1.1
351.12320	17.9
352.12476	1.6
361.10675	4.6
362.11014	1.3
365.10349	1.5
379.11838	100.0
380.12180	12.9
382.10452	3.6
391.11957	3.1
409.12891	11.2
410.13235	1.3
421.13110	2.0
499.16071	76.8
500.16238	9.5
541.17126	54.1
542.17615	8.8
610.63995	1.1
661.21326	79.3
662.21600	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	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
57.03328	1.0
57.72853	0.9
58.00461	2.6
59.01250	49.1
59.10023	0.6
61.65549	0.7
61.98694	2.0
68.99701	1.1
69.03318	2.7
69.17609	2.4
69.18021	4.5
71.01252	46.9
72.99177	4.0
73.02811	6.4
77.53974	0.8
81.03321	2.0
83.01254	5.6
83.04880	0.7
85.02814	9.4
87.00744	10.4
89.02317	37.5
91.03886	1.3
91.80558	0.8
95.01263	3.0
97.02827	7.8
99.00753	3.0
101.02320	38.6
101.75832	0.7
102.02634	1.3
111.00763	0.9
111.04386	1.6
113.01540	0.9
113.02320	16.9
115.03877	0.8
119.03393	12.0
119.04887	1.6
125.02337	14.7
131.03398	2.3
133.04973	1.4
139.03865	0.9
143.03387	8.2
145.02821	1.5
149.04402	1.1
158.08334	0.7
161.04477	9.5
163.03886	1.6
167.03413	1.3
179.05539	9.4
185.04523	1.3
198.13728	0.7
199.06224	0.9
203.05476	0.9
217.07140	1.0
221.06570	3.0
235.08180	16.5
253.09261	5.0
263.07654	1.9
263.20148	100.0
264.20499	9.9
287.07721	4.1
301.39307	0.8
305.08731	4.3
323.09882	2.6
361.11478	1.0
361.48047	0.9
379.12320	1.2
397.13495	81.1
398.13831	7.0
415.14560	38.0
416.14948	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	661.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01765	1.3
56.92968	1.0
59.01246	6.5
61.98703	58.3
69.03307	1.6
70.07980	1.7
70.08324	3.7
70.11129	1.0
71.01244	4.1
80.96384	2.2
85.02839	5.7
88.98714	1.1
89.02299	1.5
96.95901	4.0
101.02304	2.8
103.97335	1.1
109.02840	1.8
117.03361	7.8
125.02333	2.7
129.01857	2.0
129.71870	1.1
133.02794	1.8
133.71053	1.1
133.72086	1.1
135.04431	3.2
137.02359	2.2
145.02849	1.8
147.02904	1.4
151.03973	1.2
161.02327	6.2
177.01735	2.0
209.11801	1.5
209.75356	1.1
217.08432	1.3
218.05286	1.2
235.09692	3.5
245.63373	1.1
284.03214	2.0
285.03949	3.5
295.06140	2.4
296.06641	3.0
299.05447	5.5
307.06027	4.9
328.05786	3.2
329.06467	1.3
337.10754	3.4
349.10846	1.4
351.12405	18.0
352.12863	1.7
361.10809	2.4
363.12393	1.4
365.10205	6.5
379.11847	80.2
380.12299	9.3
409.12903	6.0
455.22791	2.2
470.25269	1.3
499.16110	100.0
500.16437	14.2
541.16974	1.4
625.24567	2.2
661.22516	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	657.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.3
58.00452	4.8
59.01251	96.1
60.06078	1.2
63.24611	1.1
69.75681	2.6
69.76089	4.0
70.98767	1.5
71.01251	75.2
72.01589	1.1
72.99197	6.0
73.02804	1.6
83.01268	2.8
83.38351	1.2
84.01182	1.2
85.02824	14.9
87.00731	6.0
89.02316	100.0
90.02636	2.1
95.01263	7.5
101.02321	39.6
109.02872	1.3
113.02332	32.1
119.03391	41.9
125.02316	3.9
126.63744	1.2
131.03374	4.7
135.00722	1.1
137.02339	1.8
143.03426	9.7
149.04417	3.3
151.03880	1.8
161.02303	2.6
161.04459	9.8
163.00200	1.6
177.01837	2.5
179.03252	2.5
179.05539	45.8
180.05827	2.1
195.06595	2.0
209.08128	1.5
289.07138	2.8
299.26147	1.2
302.27261	1.2
387.14252	1.2
447.81378	1.4
461.63904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.9
59.01252	2.4
61.98692	2.4
63.02251	2.1
65.00190	4.8
69.42607	6.5
70.80363	1.0
71.01260	1.9
74.98960	5.2
79.95612	1.0
81.03333	1.3
83.01258	3.7
83.04895	1.0
85.02820	2.1
89.02331	1.1
93.03317	1.3
95.01205	1.2
96.95883	2.3
101.02316	1.3
107.01260	7.8
108.01982	1.1
109.02849	4.0
111.89755	0.9
113.02295	1.3
117.03362	1.6
118.97972	29.5
119.04895	8.1
121.02827	1.1
123.00771	1.7
123.04401	1.5
124.01573	1.2
125.02332	14.6
133.02806	3.2
137.02303	6.4
145.02800	2.3
147.04443	4.7
149.02356	2.1
151.00270	17.5
153.01848	1.0
159.04428	3.3
161.02341	7.7
162.02824	1.0
163.03935	7.0
163.07394	0.9
163.11200	1.0
164.01006	1.7
165.01866	4.8
166.02635	1.5
167.03366	1.0
175.03830	2.6
177.01872	6.3
179.03438	1.1
180.04141	1.7
181.04878	1.7
187.03967	1.8
189.05515	1.6
193.01218	1.4
197.06033	1.9
198.55278	0.9
199.03937	1.9
203.03386	1.5
205.08681	2.6
209.09891	1.7
209.11768	22.5
210.03278	1.1
210.12097	7.3
211.03986	1.3
211.13443	7.7
213.05466	3.4
214.02663	4.1
214.05853	1.1
225.05603	3.4
227.03441	3.4
227.12831	2.2
228.04021	1.3
229.04991	1.8
240.04198	1.9
241.05043	12.2
253.04909	1.7
253.09367	1.2
255.06505	1.7
256.03668	1.3
257.04523	1.9
269.04556	21.7
270.01843	2.0
270.04788	2.2
271.02393	2.8
271.05884	2.0
279.03091	3.0
281.04361	1.6
282.04999	1.1
284.03394	1.4
285.04126	7.1
289.07111	4.0
293.04520	2.3
295.05972	1.0
297.04034	100.0
298.04419	10.3
299.02081	7.1
299.05557	69.1
299.09149	1.5
300.02628	1.5
300.05869	6.6
309.04065	3.5
310.04510	1.2
311.05505	2.9
313.03571	6.7
314.04123	6.1
321.03824	1.2
328.05847	12.7
329.06702	10.9
330.07092	1.8
339.04919	1.7
340.05765	1.5
367.07950	1.2
487.13870	1.2
493.11444	15.0
494.11630	2.3
531.13013	4.8
532.13593	1.2
551.21130	1.1
657.16461	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44061	0.3
57.03329	0.6
58.00450	0.4
59.01251	6.1
61.33033	0.2
61.98693	0.8
67.95750	0.3
69.03320	0.5
70.37487	1.1
71.00891	0.5
71.01254	5.5
71.65495	0.3
72.99174	0.6
73.02824	1.2
76.83644	0.3
80.02549	0.6
81.03334	1.6
83.01241	1.3
83.04889	5.6
84.02032	0.5
85.02817	1.5
87.00748	1.5
89.02319	2.6
93.03372	0.5
95.01280	0.6
95.04900	1.7
97.02833	1.3
97.06470	0.7
99.00746	0.9
101.02329	4.0
109.06464	3.5
110.03625	0.3
111.19381	0.3
113.02340	2.5
119.03378	1.1
119.04941	0.6
121.06461	0.4
123.59509	0.3
125.02394	0.4
125.05997	0.6
125.09579	2.1
135.04424	0.3
135.08054	1.3
143.03386	0.5
145.04956	1.1
149.09601	0.5
161.04437	1.0
161.09619	0.6
163.11191	6.4
165.12743	2.0
171.10201	2.7
181.12271	1.4
183.13841	1.1
185.11769	3.3
187.09613	0.4
191.10638	0.5
193.12270	0.4
203.14346	0.6
205.12265	0.8
207.10196	8.9
209.11766	100.0
210.12114	5.2
211.13338	15.0
212.13678	1.2
221.15376	0.9
223.13336	0.9
225.11278	4.4
227.12834	5.8
228.13132	0.4
231.13800	0.5
233.11786	0.9
235.08151	2.6
247.13380	2.3
249.15012	1.8
251.12770	1.0
253.09235	6.5
254.09593	0.4
265.14407	0.8
265.18253	0.3
275.16473	0.5
311.23761	0.5
321.22058	0.6
330.24847	0.3
339.23346	2.0
355.23062	0.7
357.20612	0.4
357.24539	0.9
365.21179	0.5
373.24008	1.8
383.22263	5.8
384.22470	0.7
391.24835	1.3
401.23309	12.0
402.23566	1.3
419.24380	5.9
420.24359	0.3
435.04562	0.3
443.18887	0.6
445.09921	0.3
445.20950	1.0
447.22321	0.7
461.20334	1.7
475.27081	0.4
609.32971	1.1
611.30792	0.8
612.30743	0.3
619.31183	2.9
627.34027	0.7
637.32233	20.6
638.32379	3.8
655.33270	5.7
656.33813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54159	0.4
57.03315	0.9
59.01251	2.8
61.98701	2.3
63.02265	1.0
65.00195	4.0
69.27477	2.4
69.27901	1.5
71.01251	1.6
78.95767	0.7
80.02527	0.7
80.96363	0.5
81.03324	1.0
83.01237	2.5
83.04892	1.6
85.02844	0.7
89.02285	1.0
91.01717	0.5
93.03308	1.3
95.01226	1.1
97.02827	0.9
101.02302	1.3
107.01284	5.2
109.02831	2.9
113.02290	0.9
118.97939	1.0
119.04923	8.7
121.02805	0.8
123.00758	0.7
123.04459	0.6
124.01525	1.4
125.02348	5.2
133.02806	1.7
135.00758	0.9
135.04460	0.5
137.02342	3.1
145.02841	0.9
147.04428	3.9
149.02359	1.7
151.00270	13.0
152.00912	1.1
159.00806	0.6
159.04391	4.7
160.01491	0.6
161.02348	8.9
161.05931	0.6
163.00308	0.5
163.03943	4.9
163.11224	1.3
165.01836	4.9
165.12784	1.1
166.02519	0.8
169.01302	0.7
171.04398	0.6
171.10191	2.3
173.05992	1.0
175.03963	0.9
176.01169	0.6
177.01848	2.8
180.04172	2.3
181.04939	1.5
183.04417	1.0
183.13858	1.3
185.06027	0.8
187.03923	1.5
189.01852	1.3
189.05464	0.6
190.02647	0.5
195.06473	2.1
197.06015	1.8
199.03918	1.4
201.05495	1.4
205.08627	1.1
207.04504	0.7
209.06166	1.3
209.11765	43.3
210.12106	4.0
211.03960	1.3
211.13339	24.5
212.04691	1.1
213.05466	2.0
214.02704	2.3
214.47578	0.5
223.03918	0.8
224.04781	0.8
225.05490	3.1
226.02629	0.7
227.03491	2.9
227.12837	4.9
228.04031	0.6
229.05029	1.6
235.08150	0.9
237.35643	0.5
239.03448	0.6
240.04198	1.4
241.04997	11.7
242.02144	1.2
242.05437	1.2
243.06786	0.5
249.05478	0.6
249.14844	0.9
251.03429	1.7
253.05118	2.7
253.09174	3.0
254.05336	0.6
255.02919	1.0
255.06624	0.7
258.01791	0.5
269.04526	14.9
270.05048	1.6
279.02975	1.1
280.03622	1.0
281.04510	0.6
283.06018	1.2
284.03220	1.1
285.04111	2.8
289.07205	1.2
293.04489	1.3
294.05435	0.7
295.05972	1.0
296.03198	0.8
297.04025	100.0
298.04401	10.1
298.07672	0.3
299.02179	1.1
299.05606	22.4
300.05893	1.7
309.04123	5.8
311.05597	7.5
312.05884	0.7
313.03513	0.9
321.04095	1.1
322.04736	1.1
323.05618	2.6
324.06055	0.8
325.03601	0.7
328.05746	0.9
329.06479	0.7
339.05096	2.9
389.06311	0.7
445.05682	1.1
447.22403	0.7
460.07986	1.1
462.09622	0.7
463.10086	0.8
475.10052	2.4
487.13477	0.6
493.11411	33.3
494.11832	4.3
531.13080	1.3
551.96313	0.6
639.33423	0.6
657.16016	6.5
658.16479	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.2
58.00457	0.2
59.01250	2.0
61.98687	0.6
62.27538	0.1
69.03326	0.3
70.85722	0.2
70.86061	0.3
71.01244	2.3
72.30009	0.1
73.02813	0.4
80.02539	0.6
81.03326	0.5
83.01259	0.4
83.04900	2.5
84.02027	0.3
85.02823	0.4
87.00749	0.5
89.02324	1.3
95.01261	0.3
95.04926	0.4
97.02827	0.4
99.00739	0.2
101.02309	1.8
109.06477	0.9
112.54221	0.1
113.02351	0.9
119.03369	0.3
125.02341	0.2
125.05946	0.2
125.09595	0.2
133.04979	0.2
135.08072	0.4
143.03413	0.2
145.04938	0.4
161.04497	0.9
163.11215	2.0
165.12744	1.4
171.10126	0.2
179.05464	0.2
181.12286	0.5
183.13858	0.3
185.11760	0.2
191.10776	0.4
207.10204	1.9
209.11771	100.0
210.12108	6.6
211.13316	3.7
212.13582	0.2
225.11285	2.2
227.12836	5.9
228.13159	0.2
235.08194	2.9
253.09254	5.1
254.09596	0.2
303.72214	0.2
351.26654	0.2
383.22278	0.3
401.23288	0.7
419.24429	0.3
443.19098	0.2
445.20706	0.6
461.20203	0.7
463.21735	0.2
637.32178	1.2
655.32813	1.4
656.34204	0.3
679.72479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01247	1.9
61.98706	2.1
71.01256	1.7
71.52459	0.2
72.99187	0.2
73.02817	0.3
80.02543	0.5
81.03333	0.6
83.01254	0.2
83.04900	2.2
84.02048	0.4
85.02833	0.6
87.00745	0.5
89.02314	1.1
95.01307	0.2
95.04890	0.4
97.02826	0.3
101.02313	1.5
104.51548	0.1
109.06488	0.5
113.02335	1.0
119.03353	0.3
119.04845	0.2
125.05941	0.3
125.09605	0.2
133.04953	0.2
135.08104	0.3
143.03476	0.2
144.77353	0.1
145.04991	0.2
161.04463	0.5
163.11174	1.6
165.12752	1.0
179.05515	0.2
181.12279	0.4
183.13808	0.2
185.11823	0.2
191.10683	0.3
207.10208	0.9
209.11769	100.0
210.12106	6.2
211.13319	1.7
225.11249	0.7
227.12842	5.6
227.15123	0.2
228.13144	0.3
235.08220	3.1
253.09270	4.6
284.03284	0.3
285.04135	0.2
383.22369	0.2
401.23383	0.3
445.20721	1.2
589.73120	0.2
637.32312	0.5
655.33008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85402	0.3
57.03325	1.8
58.00458	0.5
59.01251	7.7
61.98703	1.4
63.02269	0.5
65.00198	1.8
67.01760	1.1
68.99689	0.7
69.51889	0.3
71.01254	10.6
72.99164	1.4
73.02827	1.2
75.00750	3.1
78.75559	0.4
79.24632	0.4
81.03335	0.5
83.01251	1.4
83.04898	0.7
84.02043	0.5
85.02821	14.9
87.00755	2.4
89.02327	1.5
90.20907	0.4
93.03331	1.1
95.01263	4.7
96.95898	0.4
99.00759	6.2
101.02326	0.8
103.00259	2.7
107.01257	2.6
108.02117	0.4
111.00738	0.8
113.02329	26.3
114.02678	0.5
115.00237	1.6
117.01800	1.9
120.99506	0.5
121.02827	0.4
123.00767	4.2
125.02335	0.8
129.01811	1.2
133.01276	0.6
134.03636	0.4
135.00787	0.6
135.04369	0.6
136.01590	2.1
137.02357	1.9
139.00287	0.5
146.23743	0.4
147.51563	0.4
149.02351	0.7
151.00275	18.7
151.03893	1.8
152.00961	1.6
157.01381	0.5
160.01564	0.5
161.02332	1.4
165.01801	1.8
166.02632	2.4
174.01596	0.4
175.02432	5.5
185.02449	0.4
198.03178	0.5
203.03490	0.6
209.02658	0.5
209.11772	11.8
214.02643	0.6
226.02704	1.2
227.03433	1.7
227.12804	0.7
229.25424	0.4
242.01985	0.8
243.02824	0.6
255.02834	3.1
256.03397	0.5
262.91599	0.3
269.04602	0.9
270.01651	3.4
271.02420	2.9
272.02875	0.5
281.04407	0.4
283.02441	2.6
284.03122	1.3
285.03989	5.6
297.03943	1.8
298.04755	2.3
299.01965	9.2
299.05548	2.0
300.02621	2.0
313.03558	7.7
313.07172	1.0
314.04340	5.2
315.04822	1.2
328.06131	0.5
329.06696	2.1
346.04764	0.5
361.03394	1.6
362.04312	0.9
373.03656	0.7
374.04257	2.5
375.04803	1.3
387.05118	0.7
389.02911	0.6
390.03650	0.9
402.03830	1.6
403.04276	0.9
405.06354	0.5
417.06174	1.5
418.02972	1.8
432.04819	3.7
433.05634	17.2
434.06268	2.6
435.07135	1.0
447.07169	13.3
448.07220	2.1
464.07416	11.9
465.07870	2.2
479.09821	100.0
480.10153	13.1
521.10718	1.1
551.12097	0.7
637.31836	0.7
654.34509	2.3
655.12921	8.1
655.33972	1.7
656.13568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98695	15.1
71.01257	20.5
72.01575	3.2
78.50513	2.3
78.95779	3.4
84.25489	2.7
85.02822	4.7
87.00751	4.4
89.02314	17.8
90.02683	2.8
95.41942	2.7
97.02837	7.4
101.02297	14.1
107.36153	2.5
113.02341	6.2
119.03438	4.5
125.02341	7.5
141.01610	58.1
143.03329	4.1
152.12303	2.4
152.99416	2.9
207.10164	5.3
211.13406	11.6
235.08272	4.3
255.23303	28.8
256.23599	23.4
257.23880	11.1
275.06262	3.1
277.21619	3.4
385.30890	3.3
397.08710	2.9
397.13333	12.8
398.13861	17.7
399.13937	17.4
415.14154	4.5
416.15018	7.2
417.14993	6.1
595.27924	3.8
637.32104	5.9
655.35309	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	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03318	1.2
58.00459	2.1
59.01247	40.3
60.01582	0.5
61.98713	0.3
67.01732	0.3
68.99689	0.6
69.03318	2.4
69.81488	0.5
69.81879	0.6
71.01250	37.4
72.01596	0.6
72.99174	3.3
73.02815	5.9
75.00753	0.8
81.03330	1.7
83.01250	4.6
83.01702	0.3
83.04908	0.3
85.02817	8.2
85.99978	0.3
87.00747	9.0
87.01272	0.5
89.02312	32.6
90.02672	0.5
91.03902	0.7
95.01257	2.5
97.02821	6.6
98.19922	0.4
99.00748	2.8
99.04411	0.7
101.02315	30.9
102.02692	0.6
103.03881	0.5
104.31217	0.2
109.02846	0.8
110.73693	0.2
111.00756	0.8
111.04404	1.1
113.02324	15.4
114.02673	0.3
115.03877	0.6
119.03387	9.8
120.03747	0.3
121.02855	0.4
123.00810	0.3
123.04399	0.4
124.01616	0.3
125.02328	12.5
127.03908	0.6
131.03363	1.5
133.04956	0.9
137.02380	0.4
139.03877	1.2
141.01857	0.5
143.03394	5.6
143.04553	0.4
149.02356	0.2
149.04488	1.3
161.04451	6.8
167.03445	1.0
169.05014	0.6
179.03838	0.4
179.05513	6.1
180.05856	0.4
185.04486	0.8
199.06075	0.5
203.05551	0.3
217.07092	1.1
219.04976	0.4
221.06638	2.3
231.68388	0.3
235.08186	14.2
236.08565	0.8
245.06593	0.8
253.09242	3.7
255.23251	100.0
256.23584	8.2
263.07748	1.7
269.24915	0.5
277.09314	0.9
287.07718	3.1
305.08734	3.9
306.09024	0.3
323.09784	1.9
361.11472	0.5
379.12357	1.2
397.13455	84.2
398.13828	7.0
406.84360	0.4
415.14548	31.4
416.14893	2.5
482.97256	0.3
653.37006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
59.01262	1.7
61.96240	0.8
63.02265	3.1
65.00191	5.3
67.01762	1.1
68.99701	1.4
69.03339	1.0
71.01247	6.2
71.33018	1.7
72.99176	3.9
83.01270	6.4
85.02837	4.8
89.02316	1.4
91.01749	0.9
93.03339	2.7
95.01263	5.8
96.95869	1.2
99.00773	1.3
107.01254	10.4
109.02830	16.1
111.00772	13.7
113.02364	4.6
115.14999	0.9
121.02841	1.9
123.00748	2.6
125.02338	14.7
133.02846	5.7
135.00781	5.5
137.02351	8.0
137.03253	1.6
139.00267	27.3
141.01807	1.5
143.05003	1.2
145.02925	0.9
147.65881	0.9
149.02341	2.6
151.00281	30.9
152.01007	3.1
153.01825	11.8
154.71962	1.0
159.02911	1.2
159.04338	1.5
161.02345	2.7
163.00284	43.0
163.03888	1.7
164.00848	3.6
165.01848	6.4
166.99731	1.9
169.01329	4.1
171.04427	1.5
173.02385	1.1
173.05980	1.7
175.03935	2.7
177.01837	8.2
178.99780	29.4
179.01308	1.9
179.03336	1.1
181.01353	22.7
182.02028	2.2
183.04344	1.5
187.03893	1.4
189.05399	0.9
190.99757	11.2
191.03427	2.5
192.00392	1.1
193.01323	5.6
193.02962	1.3
199.03941	4.2
201.01881	2.7
201.05554	2.4
202.06340	1.0
203.03427	3.2
205.01366	1.3
205.05017	1.8
206.99286	15.8
207.02843	1.5
207.99979	4.2
209.00912	2.2
211.03961	1.8
215.03357	1.4
217.01463	1.8
217.05013	3.8
219.02991	2.0
227.03447	6.9
229.01485	1.3
229.04973	2.7
230.02040	1.6
231.02872	5.1
242.02190	2.6
243.02937	17.1
244.03287	1.4
245.04524	10.9
255.02982	7.9
256.03452	1.1
259.02295	1.3
271.02484	29.0
272.02887	2.8
273.04028	15.4
274.04318	1.3
284.03232	1.5
285.04034	13.1
289.03583	5.7
299.01953	40.2
300.02399	6.1
301.03165	2.2
313.03696	1.2
316.02069	1.9
317.02997	100.0
318.03342	8.3
319.04538	1.5
337.07690	7.0
348.40500	1.0
348.57834	1.0
356.97314	1.2
359.04303	1.2
384.75510	1.0
416.16724	1.1
436.36081	1.1
519.09802	2.6
521.09961	1.1
546.08459	1.1
627.13483	1.2
637.10370	3.7
655.11414	25.2
656.11737	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	653.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40468	0.2
62.96283	0.6
70.08952	0.6
70.09350	0.5
78.95773	100.0
79.46445	0.2
84.89632	0.2
124.18974	0.2
130.87117	0.2
142.25107	0.2
148.99994	5.6
159.57994	0.3
179.01060	0.3
205.15909	2.5
257.15356	0.4
280.72263	0.2
285.12604	4.3
347.08957	0.3
355.16821	2.2
385.17804	1.3
417.12317	0.6
426.76587	0.3
447.13370	6.0
448.13556	0.8
493.61194	0.3
653.30084	61.5
654.30402	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40592	0.2
55.01754	1.6
57.03317	1.2
58.00466	2.2
59.01251	44.9
60.01576	0.5
61.98716	1.8
67.01759	0.3
67.16781	0.3
68.99686	0.4
69.03329	2.4
71.01253	37.7
72.01573	0.4
72.99178	2.8
73.02821	6.4
75.00751	0.8
81.03333	1.7
83.01261	4.9
83.04910	0.3
85.02822	8.0
85.99936	0.4
87.00747	9.8
87.04379	0.3
89.02314	33.2
90.02653	0.5
91.03871	0.6
95.01261	2.7
95.04885	0.3
97.02824	6.5
98.20573	0.5
99.00748	2.5
99.04370	0.4
101.02322	29.9
102.02671	0.3
103.00242	0.5
103.03855	0.5
107.84876	0.3
109.02837	0.7
111.00737	0.3
111.04384	0.8
113.02332	14.8
115.03904	0.7
119.03386	9.3
119.04244	0.5
121.02863	0.6
124.01527	0.3
125.02331	11.7
126.02676	0.4
127.03904	0.7
129.01796	0.3
131.03409	1.4
133.04967	1.0
137.02316	0.4
139.03896	1.2
141.01816	0.5
142.02567	0.3
143.03406	5.5
149.04413	1.3
161.04460	7.1
167.03395	0.9
169.04976	0.3
179.05528	6.1
185.04466	0.6
199.06032	0.7
203.05528	0.5
217.07082	1.2
219.05045	0.3
221.06636	2.2
229.77058	0.3
235.08189	14.7
236.08447	0.4
245.06602	0.9
253.09274	3.6
255.23264	100.0
256.23611	8.3
263.07755	1.8
269.24878	0.6
277.09210	1.0
287.07736	3.2
288.08105	0.4
305.08752	3.8
306.09042	0.4
306.48209	0.3
323.09836	1.8
356.49713	0.3
361.11505	0.5
379.12457	1.3
397.13483	76.3
398.13843	6.5
405.05841	0.3
415.14542	29.5
416.14877	3.0
592.59479	0.3
653.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.7
61.98683	3.3
62.46352	1.0
69.03318	0.9
70.95335	1.0
71.01241	1.9
71.52790	1.4
78.95762	1.3
89.02884	1.2
93.03306	1.1
97.02882	1.0
98.63134	1.2
109.06452	1.0
117.03291	2.0
119.04915	33.3
120.05212	1.6
121.02847	2.4
145.02782	2.2
145.36496	1.0
149.02307	4.2
151.00186	0.9
163.03920	23.8
163.86722	1.0
164.04596	3.3
171.10159	1.6
209.11772	2.5
223.06071	8.0
261.11221	1.3
267.02863	2.3
294.01654	1.7
295.02609	5.1
299.01944	3.3
299.43372	1.1
314.04358	2.2
323.01910	5.7
323.09140	1.5
324.02744	2.2
329.06546	4.0
336.02664	2.0
337.03638	2.8
338.04211	6.9
339.05002	2.0
344.65515	1.0
351.04974	3.7
353.06525	1.3
371.05283	1.6
372.06302	1.8
399.05032	2.8
415.04517	2.8
416.05051	2.7
426.04044	1.6
427.04419	3.7
431.07675	3.1
443.03845	4.0
444.04547	10.3
446.06595	1.4
459.07202	20.6
460.07452	3.9
461.08795	2.1
473.08688	3.5
474.09500	8.0
489.11890	100.0
490.12222	14.7
507.12842	9.0
508.13010	1.9
635.30499	1.6
653.16553	36.2
653.31738	2.6
654.16296	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.01252	3.0
61.98708	0.7
63.02286	1.4
63.91000	0.6
65.00190	1.7
69.82175	2.3
83.01266	1.2
85.02827	1.3
89.02306	0.6
93.03341	1.9
95.07912	0.6
96.95909	0.7
98.19794	0.9
99.00737	0.7
101.02320	0.9
105.03296	0.6
107.01270	2.9
109.02845	1.9
113.02322	0.8
119.01320	1.1
119.04926	1.1
121.02874	1.6
123.04388	0.6
125.02337	0.9
132.02054	0.7
133.02849	8.2
134.03569	1.4
135.04414	1.4
137.02342	2.9
139.03940	0.6
147.00800	1.0
148.01494	0.7
149.02322	4.5
150.03114	1.9
151.00278	6.0
153.01845	2.4
161.02350	1.0
163.03867	0.9
164.04640	1.7
165.01842	0.7
167.03427	0.8
175.00311	4.3
175.03934	3.3
176.01018	6.4
177.01839	1.5
190.02647	9.7
191.03426	9.3
193.01283	0.7
194.02156	1.6
199.03969	2.3
201.01901	1.3
205.05016	5.4
209.04495	2.4
211.03957	0.9
217.05112	1.1
223.06096	1.0
227.03445	1.1
241.05057	0.8
243.02966	1.0
255.02936	2.5
256.03705	3.1
257.04434	0.8
267.03079	0.7
269.04565	0.7
283.02487	1.0
284.03253	39.1
285.04019	100.0
286.04349	6.7
297.03955	1.9
298.04813	0.8
299.02182	1.2
299.05597	23.2
300.05994	1.4
309.04044	7.3
327.05032	7.5
328.05472	1.0
353.08777	14.0
354.09033	1.4
357.06165	1.6
429.08102	7.1
442.62186	0.7
447.09274	4.2
653.15070	70.0
654.15460	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	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.9
61.98707	0.6
65.00191	1.2
68.38469	0.3
69.42422	1.9
77.03842	0.8
79.01774	0.8
79.19426	0.3
80.96416	0.3
81.03305	0.3
83.01266	1.0
85.02802	0.5
88.98688	0.8
93.03352	0.6
95.01250	0.4
95.72776	0.3
97.02825	0.9
103.04169	0.3
105.03348	0.5
107.01280	1.0
109.02847	2.9
117.03337	0.3
119.04955	1.5
121.02846	2.6
123.04369	0.5
125.02321	1.8
130.25653	0.3
132.02019	0.4
133.02840	14.5
134.03549	0.5
135.04417	2.4
137.02347	1.0
145.02858	0.5
147.04417	1.5
148.01543	0.6
149.02338	3.4
151.00291	1.0
151.03918	0.8
153.01758	0.4
161.02306	1.9
163.00284	2.0
163.03915	3.5
164.04663	1.0
165.01845	2.1
167.03349	0.4
171.04440	0.3
173.02318	0.5
175.00319	0.7
175.03906	3.2
176.01094	0.4
177.01823	1.1
189.01888	0.7
189.05472	0.3
191.03461	2.2
193.01338	1.7
198.03140	0.8
199.03946	1.4
200.04637	0.4
201.01842	1.5
203.03438	0.5
209.06091	0.6
211.03963	1.1
212.04727	0.7
213.05560	1.2
215.03404	0.6
217.05011	0.5
225.05577	1.3
227.03445	1.0
227.07118	0.5
229.05014	0.6
240.04216	1.1
241.05072	0.7
242.02194	0.4
243.02950	0.6
253.05011	1.3
255.02946	1.1
255.06601	0.6
256.03720	0.5
257.04361	0.5
259.06073	0.4
267.06769	0.3
269.04504	1.0
271.06128	0.4
281.04245	0.5
283.02707	0.4
283.06100	0.5
284.03262	9.6
285.03973	5.5
297.04013	11.9
298.04749	9.3
299.05597	18.2
300.05905	1.4
309.04001	1.2
311.05444	1.9
313.03568	0.7
314.04007	0.4
325.03616	0.9
327.05075	100.0
328.05426	9.5
339.05157	2.8
341.06674	2.4
357.06149	22.7
358.06485	2.2
369.06079	2.4
393.06039	2.4
411.07281	1.0
429.08197	8.1
430.08322	0.6
447.09268	11.4
448.09482	1.6
461.10797	0.9
491.09863	0.8
653.14996	14.1
654.15594	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.1
59.89672	0.3
69.32859	0.3
70.56657	0.3
71.01253	5.8
72.99184	1.3
73.02866	0.5
78.01139	0.3
80.30586	0.3
83.01268	1.1
85.02813	2.8
87.00761	0.4
89.02327	0.4
95.01280	1.0
99.00732	0.5
101.02323	1.0
107.01268	0.7
113.02345	2.7
115.00275	1.5
125.02326	0.4
148.01610	0.6
149.02377	0.5
150.03099	1.2
151.00247	1.7
161.02370	0.4
188.04700	0.4
211.04065	0.5
212.39465	0.3
215.03404	0.7
216.04266	0.4
243.02916	0.7
271.02588	2.0
272.03271	6.0
285.03940	0.6
287.01917	0.3
299.01935	1.7
300.02737	65.6
301.03137	5.8
312.02533	0.4
313.03357	0.6
314.04327	1.7
315.05096	100.0
316.01749	0.6
316.05402	10.0
319.06653	1.0
327.05084	0.6
337.07703	4.5
338.08093	0.5
342.03867	1.1
354.03735	0.5
357.06113	4.0
369.06088	0.4
388.98886	0.4
473.07098	0.6
519.11475	1.8
591.13452	0.5
653.13586	12.9
654.13818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03318	1.1
58.00456	1.5
59.01250	32.8
61.98694	0.8
68.99685	0.6
69.03319	1.9
71.01252	32.3
71.52792	0.5
72.99178	2.9
73.02818	4.4
75.00761	0.6
78.95776	2.6
81.03329	1.4
83.01257	3.4
85.02822	7.2
86.03436	0.4
87.00749	8.0
89.02315	28.9
90.02622	0.5
91.03850	0.6
95.01269	2.3
96.96797	0.5
97.02828	6.1
99.00767	2.1
101.02323	27.5
109.02837	0.6
111.00834	0.5
111.04408	0.8
113.02327	12.9
119.03388	10.3
121.02801	0.6
125.02332	10.9
127.03867	0.5
131.03392	1.9
133.04912	1.1
139.03996	0.9
143.03401	5.3
149.04381	0.6
152.99467	3.6
161.04466	6.0
167.03441	0.6
171.03058	0.6
179.05510	6.3
199.06058	1.0
203.41335	0.5
217.07158	1.0
221.06627	1.7
235.08189	13.7
236.08557	0.6
241.01303	0.5
245.06628	0.7
253.09312	3.4
253.21701	100.0
254.22032	8.6
263.07657	1.3
277.09189	1.0
277.21762	1.6
287.07831	2.7
305.08783	2.8
323.09775	1.5
355.56601	0.5
379.12308	1.0
397.13477	72.5
398.13788	6.9
415.14569	29.6
415.18997	0.6
416.14841	2.3
593.27319	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46450	1.2
67.05383	2.3
68.76006	1.3
71.04889	3.3
74.68863	1.6
78.95773	5.9
116.07058	44.4
117.05496	2.0
125.03484	3.5
125.09617	5.9
129.10248	10.2
130.08633	3.7
140.07051	6.5
143.11794	5.4
144.10199	30.7
145.85959	1.4
152.99455	9.3
153.10223	4.5
155.08160	2.6
180.10349	2.5
182.10521	11.9
182.11981	2.2
183.11333	1.9
187.09692	7.0
193.96138	1.7
198.11258	2.8
199.17982	1.6
207.14815	1.6
208.13376	4.9
208.17647	1.7
209.09303	2.5
210.14938	7.2
225.16019	68.8
226.16374	5.2
229.15735	2.0
229.18666	1.5
239.10364	3.7
243.17021	3.4
281.22284	5.6
299.23508	2.7
301.21890	1.4
305.81830	1.5
324.22937	2.1
325.21298	100.0
326.21664	9.3
343.22403	14.4
397.12582	1.8
415.13681	4.2
424.28223	7.3
442.29199	16.1
443.29584	3.0
651.35016	4.3
652.35669	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	649.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01244	1.2
60.61958	0.3
61.98692	0.7
64.30325	0.3
65.00193	1.6
67.01741	0.3
71.01246	0.8
72.08512	0.3
72.99212	0.4
83.01249	0.5
83.12370	0.3
85.02798	0.3
89.02314	0.6
91.01759	10.4
93.03330	0.7
95.01263	0.4
99.00761	0.6
101.02372	0.7
102.05432	0.3
103.43810	0.3
108.02019	3.6
108.02617	0.3
111.00757	1.6
113.02328	0.8
123.00775	0.9
123.04403	29.9
124.01550	1.2
124.04733	1.1
125.02326	0.7
125.09589	0.5
135.04385	0.6
136.98763	0.3
137.02318	1.9
148.05205	6.2
149.05518	0.5
151.00186	0.3
152.01028	4.7
163.03839	0.4
163.07559	3.2
167.03403	100.0
168.03732	3.6
171.10150	0.7
182.68532	0.3
187.09616	0.6
201.11089	0.3
209.11787	0.5
225.11252	0.4
270.76825	0.3
293.13763	0.3
397.12543	0.3
439.15982	0.7
454.07269	0.3
520.05768	0.4
649.20874	0.7
649.30823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03306	5.3
57.96086	1.3
59.01251	83.2
60.13528	1.4
61.98707	1.5
67.68602	1.3
68.76305	1.3
68.91689	1.4
69.03320	1.8
71.01254	57.0
72.78225	1.5
72.99175	3.2
73.02821	10.4
74.07326	1.6
75.00751	1.5
83.01262	8.1
83.19272	1.4
85.02819	30.6
87.00739	3.7
89.02319	17.1
95.01259	6.1
97.02839	1.7
99.00758	5.1
101.02323	30.7
101.02985	1.8
109.02801	1.7
111.00773	4.7
113.02334	24.6
114.30739	1.5
119.03432	7.0
124.01537	1.7
125.02331	5.3
129.01813	2.5
129.90652	1.4
137.02350	1.7
143.03386	4.0
153.01810	1.7
159.02882	1.8
161.04478	10.8
178.83203	1.5
179.05597	1.9
201.11302	5.3
209.02885	2.8
209.11694	1.9
227.12720	1.7
229.14769	1.8
234.34491	1.5
261.29059	1.5
285.03922	9.0
381.22900	5.2
399.23895	14.6
543.28119	100.0
544.20239	2.4
544.28204	15.7
561.29163	84.8
562.29327	13.4
603.30280	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	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38438	2.9
57.03323	4.5
58.00464	3.7
59.01252	71.6
61.98693	6.7
71.01254	47.0
72.99157	3.1
73.02808	8.0
83.01241	4.7
83.04878	6.2
85.02823	24.2
87.00754	3.8
89.02319	34.5
93.03326	3.6
94.52317	2.5
95.01228	4.8
96.95872	13.4
97.02800	3.3
99.00717	3.3
101.02312	22.1
113.02329	29.6
119.03380	13.1
119.04838	3.6
121.02837	2.7
125.02327	8.2
125.09569	4.4
127.11156	5.8
127.62598	2.4
133.02869	4.4
135.04436	4.7
143.03413	4.0
143.81133	3.0
149.02216	2.7
151.45139	2.6
161.04472	10.9
163.11070	3.6
179.03432	3.6
179.05510	10.3
191.01871	5.6
199.09802	3.5
201.11266	100.0
203.03394	3.1
209.02950	3.1
209.11780	94.9
210.12022	5.0
216.04887	3.2
227.12851	13.1
231.02921	8.4
253.09239	14.5
285.04056	10.3
341.06680	4.8
479.93347	3.0
489.21933	3.2
543.28180	24.6
561.28894	13.8
647.23193	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	645.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03046	0.9
57.03323	12.8
59.01250	8.6
61.98712	1.1
68.99699	1.4
69.32403	0.9
69.32813	4.4
71.01255	9.6
72.99174	1.9
75.00378	0.6
75.00736	4.4
80.96424	0.7
81.03312	0.7
83.01257	4.1
84.02042	2.4
85.02821	100.0
86.03162	2.2
87.00746	2.4
89.02320	2.1
92.60852	0.6
93.03339	1.4
95.04918	0.6
96.95869	0.7
98.20636	0.8
99.00771	0.7
101.02318	1.0
103.00251	1.8
109.02829	0.8
111.00751	8.4
115.00240	1.9
121.02870	1.1
125.02334	4.4
129.01817	15.4
133.01338	2.7
135.04390	0.7
137.02328	4.8
147.02898	13.9
149.02420	0.6
151.03868	0.7
161.02362	0.9
165.01830	2.9
167.03418	5.0
173.00865	3.1
173.06093	0.6
173.76837	0.6
175.03870	0.9
187.07677	0.8
191.01895	85.6
192.02245	2.0
195.04550	0.7
197.05931	3.2
199.03880	0.9
200.04578	0.8
209.02957	26.0
210.03264	1.3
213.05498	2.0
214.02629	0.8
215.07083	6.7
217.04994	2.8
225.05559	3.8
227.03421	2.4
227.07069	0.6
229.01341	0.9
235.09784	0.6
236.93738	0.6
237.05502	0.6
241.05031	4.3
243.06583	11.6
244.07005	1.3
253.04982	0.9
255.06645	1.2
265.05255	0.8
267.02957	1.8
269.04681	1.3
271.06125	1.7
283.06049	1.3
285.03979	1.2
287.05554	2.7
304.07263	0.8
315.05145	4.8
316.05655	1.1
321.07132	0.7
391.08197	2.1
396.81949	0.6
409.09293	5.4
435.06760	2.8
453.08276	16.7
454.08542	2.3
483.12308	1.0
521.07507	1.4
615.19604	0.6
627.09985	1.4
645.10687	7.3
646.11499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.3
56.74388	0.3
57.03310	0.3
58.00482	0.4
59.01247	3.5
61.98719	1.0
69.03333	0.9
71.01250	4.1
71.04894	0.5
71.19715	0.5
72.99193	0.3
73.02829	0.7
80.02559	1.2
80.19722	0.3
81.03328	1.3
83.01266	0.4
83.04893	4.9
84.02042	0.6
85.02848	1.2
87.00759	0.8
89.02319	2.9
95.04917	0.7
96.95879	0.3
101.02325	3.0
109.06479	0.3
113.02325	1.5
119.03400	0.7
119.04884	0.4
119.07569	0.3
123.08017	0.3
125.02376	0.4
125.06004	0.4
125.09618	0.7
135.08096	0.5
143.03461	0.4
145.04918	0.3
151.11188	0.4
153.09129	0.5
153.12762	1.1
161.04442	1.5
163.03899	0.5
163.11208	3.8
165.12727	2.6
167.10713	0.6
169.12259	5.3
171.10182	1.9
179.05551	0.4
179.10698	0.7
181.12274	0.8
183.13805	0.4
185.11768	1.0
191.10715	1.2
195.10211	1.1
195.13766	0.3
197.11760	90.8
198.12085	5.7
199.13348	1.0
201.11230	2.0
209.11765	100.0
210.12093	5.9
211.13329	3.1
212.13611	0.5
213.11142	0.5
219.13968	0.3
223.13315	2.3
227.12830	15.4
228.13097	0.9
235.08180	3.5
235.13341	1.7
253.09241	9.7
254.09581	0.8
319.30902	0.3
339.62045	0.3
371.22153	0.5
389.23523	1.4
407.24503	0.7
433.20755	3.4
445.20590	1.2
607.30786	1.0
625.32458	1.6
626.30969	0.4
631.52954	0.3
643.32800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76667	0.4
59.01244	9.4
59.01533	0.5
61.98715	1.1
67.83719	0.4
69.03339	0.7
71.01254	3.7
71.53333	0.5
72.99205	0.6
73.02838	1.0
80.96368	0.4
81.03341	0.4
83.01294	1.0
83.45972	0.4
85.02822	2.3
87.00742	2.3
89.02343	1.3
91.35347	0.4
93.03352	0.6
97.02850	0.7
101.02335	3.0
104.02548	0.8
108.02050	0.6
109.02869	0.5
111.00772	0.5
113.02325	2.2
117.03327	0.7
119.03368	0.5
121.02863	0.8
123.04413	0.4
125.02341	1.0
132.02066	23.3
133.02792	1.5
134.03630	10.8
135.04402	1.3
137.02356	1.7
139.49687	0.4
149.05984	1.7
151.00288	0.7
151.03952	0.6
152.01057	0.8
155.10670	1.7
160.01569	86.2
161.01888	4.1
161.04507	0.7
163.03891	0.6
165.01851	0.5
167.03406	1.3
175.03920	100.0
176.04260	5.6
177.01898	0.6
178.02591	0.9
179.03387	0.4
179.05460	0.5
191.01851	0.5
193.04988	12.5
194.05321	0.5
205.04918	0.7
223.06111	0.6
232.03746	0.5
243.02953	0.4
243.63976	0.4
285.04205	2.6
320.67508	0.4
337.09305	5.1
338.09650	0.5
341.10883	0.6
344.76855	0.4
383.11844	1.1
451.21829	0.5
541.15784	2.5
559.16449	1.9
583.16571	3.9
584.18134	0.6
601.17712	5.8
602.18091	1.1
643.18335	14.4
644.18610	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	643.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37997	0.5
59.01254	8.8
60.99879	0.6
61.98713	1.5
69.57281	3.2
71.01247	3.2
72.99160	0.6
73.02815	1.7
83.01256	1.1
85.02792	2.9
87.00764	1.8
89.02328	1.0
93.03328	0.9
95.01325	0.6
96.95877	1.5
97.02864	0.6
98.19881	0.8
101.02334	3.0
108.99547	0.6
109.02866	0.6
113.02346	3.0
119.03401	1.0
119.04928	0.7
123.04405	0.7
125.02335	2.1
129.01994	0.7
132.02065	22.1
133.02850	1.4
134.03641	12.1
135.04427	1.8
137.02345	2.2
143.03459	0.6
149.05992	1.3
151.03929	0.8
152.01094	1.2
153.01813	0.9
155.10693	1.5
160.01567	79.6
161.01949	3.7
161.04433	1.0
165.01906	1.1
167.03258	0.7
175.03920	100.0
176.04283	7.2
177.01808	0.8
179.03363	0.7
193.04974	13.1
194.05409	0.7
199.09695	0.8
221.08220	0.6
285.04059	1.3
299.01810	0.8
337.09305	4.2
341.11020	0.7
383.11774	1.3
534.80420	0.6
541.15491	1.7
559.16339	1.4
583.16443	4.6
601.17725	5.0
602.17188	1.1
614.11176	0.7
642.40771	1.1
643.17786	13.0
643.27332	1.0
644.18518	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	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.1
61.77547	2.6
71.01250	6.5
74.79231	3.1
75.00735	10.4
85.02799	12.3
95.01289	3.5
99.00740	8.8
101.05952	70.3
113.02329	18.9
114.16512	2.6
116.06977	2.6
125.02328	3.5
167.03429	3.6
249.06114	9.2
268.25494	3.2
285.04092	2.9
314.03961	3.9
351.12964	100.0
352.13138	10.8
479.11481	5.0
536.75684	3.0
539.53864	3.0
596.93610	3.6
616.28052	3.0
641.15637	6.7
649.96490	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	643.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
57.63227	0.8
58.64533	0.9
59.01252	16.9
61.98671	1.6
69.03314	1.8
71.01257	8.1
71.53686	1.5
72.99175	1.0
73.02824	2.4
81.03339	1.1
83.01263	3.0
85.02819	5.1
87.00771	3.2
89.02333	1.5
89.03854	1.2
93.03345	1.0
93.56802	0.8
96.95898	2.1
97.02849	1.6
99.00750	1.4
99.92449	1.0
101.02320	11.3
104.77216	0.9
105.03340	1.4
109.02840	1.5
111.00764	1.1
113.02325	9.2
115.91952	1.1
116.92751	3.3
117.03354	3.5
119.04924	1.6
120.99532	0.9
121.02827	1.2
125.02316	4.0
125.06083	0.9
131.03391	1.0
132.02069	18.9
133.02875	6.9
134.03627	78.3
135.04250	3.6
137.02338	6.5
139.03871	1.5
143.03412	1.6
147.04401	2.1
149.02399	1.5
149.05986	14.7
150.03152	1.1
151.00252	3.3
153.01848	1.9
160.01566	81.8
161.02066	4.8
161.04431	1.4
163.03943	1.5
164.04655	1.3
165.01823	2.3
165.05424	2.7
167.03406	1.3
168.17097	0.9
169.01233	1.0
175.03915	100.0
176.04271	5.7
177.01775	1.6
178.02644	11.1
179.03375	3.0
180.04147	1.1
181.04933	1.0
191.07048	1.4
193.04985	71.0
194.05324	4.0
195.06526	2.4
202.37660	1.0
205.05014	1.4
207.06558	0.9
219.16203	0.9
223.04308	2.8
233.07974	1.3
234.08662	0.9
235.06075	2.2
247.06177	1.6
249.07869	1.0
255.59366	0.8
261.07538	1.5
262.08432	3.8
265.07169	6.7
277.10782	5.5
285.03928	2.2
287.05466	1.4
299.01999	1.2
307.08246	2.7
312.06638	2.1
319.08124	4.2
337.09253	22.7
338.09528	2.0
341.10687	1.1
369.13196	1.2
379.10281	3.2
467.09622	2.7
480.61404	1.1
481.13757	4.7
481.24442	1.3
499.14621	2.8
517.15601	1.0
523.14655	2.3
541.15552	27.7
542.15839	3.8
559.16595	29.2
560.17145	3.1
583.16547	15.2
584.16992	2.1
601.17688	31.6
602.17883	5.5
643.18250	4.0
643.27173	3.3
644.18726	1.7
659.46472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55320	1.1
55.01755	1.5
57.03313	3.4
58.00463	1.3
59.01252	36.5
61.98703	1.5
65.03827	3.5
70.81470	1.7
70.81814	1.9
71.01252	30.0
72.99194	2.9
73.02818	7.8
78.04741	1.2
81.03324	1.8
83.01244	4.7
83.04897	10.4
85.02818	11.1
85.06444	3.7
86.00018	1.3
87.00747	10.2
89.02307	13.9
91.05386	2.1
93.03334	2.1
95.01249	3.6
95.04885	3.5
97.02808	1.7
97.06458	5.6
99.00746	1.7
101.02317	24.0
101.89982	1.1
105.64809	1.2
107.04938	2.8
109.06467	5.8
111.04411	1.8
111.08028	10.2
113.02329	13.6
115.02026	1.0
115.05445	1.1
119.03365	3.3
119.04912	4.8
120.02910	1.2
123.08029	3.7
125.09598	16.0
127.11154	2.0
133.04924	1.6
133.06535	1.7
135.08054	2.4
137.09613	4.3
143.03384	2.2
145.04980	5.0
151.11183	2.1
161.04449	4.6
163.11124	1.3
171.10178	98.0
172.10510	4.7
175.11206	1.4
179.05522	3.5
185.11781	2.8
197.13419	1.5
205.15855	6.3
207.13799	2.2
209.11786	21.4
210.12009	1.5
211.11464	2.3
211.13326	24.4
215.14365	10.9
221.15346	3.9
231.13794	6.8
233.15414	39.7
234.15691	3.9
235.08211	16.3
235.13370	2.3
239.16476	1.6
247.17062	2.3
249.14919	45.6
250.15242	3.2
251.16505	2.5
253.09247	9.3
258.72678	1.5
283.19427	1.5
313.25269	1.6
323.23624	2.1
331.26465	3.4
339.23273	2.0
341.24753	8.2
357.24371	4.6
359.25830	4.4
367.22681	5.6
375.25455	6.8
377.26935	1.6
385.23792	36.7
386.24142	3.7
393.26514	2.8
403.24847	63.1
404.25211	10.6
404.75510	1.3
407.18964	3.3
421.25919	22.1
422.26337	3.3
459.27206	1.5
467.22974	2.1
485.24109	3.9
495.29626	1.9
604.31232	1.3
611.34180	5.2
621.32745	100.0
622.33246	22.8
639.33832	79.1
640.34271	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	639.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
61.98685	2.6
63.02230	1.0
72.72578	0.7
80.92853	0.6
104.48604	0.7
107.01215	1.1
117.03378	0.7
119.04904	7.5
133.02849	2.1
145.02849	1.3
151.00261	2.9
161.02351	1.4
163.03934	7.1
164.04393	0.7
175.03961	0.8
197.11734	1.0
209.11765	4.5
211.13365	4.6
223.13118	0.7
223.18700	0.8
227.03383	2.2
252.08923	0.9
255.02982	17.9
256.03729	33.4
257.04037	3.7
271.02454	1.6
281.04593	0.9
283.02478	22.0
283.05597	1.1
284.03247	100.0
285.03867	20.6
286.04599	1.1
295.10663	0.9
298.04929	1.2
299.01950	4.8
299.05554	4.0
300.02698	1.2
309.04022	2.5
313.03458	1.7
314.04327	3.7
321.08734	2.6
339.09863	3.8
403.24811	1.0
443.07758	1.2
445.05844	1.1
454.38062	0.8
475.10315	93.0
476.10706	16.9
607.21759	2.8
621.32703	1.1
638.32367	0.7
639.33972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89465	0.7
53.99295	0.9
54.74835	0.8
54.84483	0.8
57.03349	0.9
59.01252	1.9
61.98693	5.4
69.03345	0.8
71.53064	1.1
85.02829	1.1
102.66489	0.8
107.01279	2.3
109.02872	1.0
115.00231	1.6
123.04446	1.0
124.01570	0.9
125.02370	5.2
133.02998	1.0
137.02385	1.5
151.00291	8.1
151.03899	1.7
151.26616	0.8
161.02362	2.6
163.00304	1.3
169.01341	0.9
169.87386	0.9
171.04413	1.3
175.02371	1.0
178.99796	3.6
179.03436	1.1
187.03876	1.3
193.64684	0.8
199.03986	2.3
201.01842	1.0
203.03429	3.8
205.04996	1.4
215.03455	3.5
227.03485	1.8
231.02950	3.5
242.02110	2.0
243.02937	12.5
244.03490	1.5
246.95255	0.8
255.02945	7.1
257.04623	1.0
258.01648	0.9
259.02444	10.3
260.02963	1.0
261.04123	0.9
270.01746	3.3
271.02493	25.9
272.03018	3.6
272.78802	0.9
273.04013	1.1
284.03415	1.9
285.03952	4.7
286.04233	2.0
287.01984	19.4
287.05124	1.4
288.02448	2.5
289.07199	3.3
299.02072	12.7
299.05377	2.1
300.02768	17.8
300.06042	2.0
301.03336	3.6
301.06427	1.9
302.04071	1.3
313.03345	1.1
314.04346	9.7
315.01459	37.7
315.05136	42.1
316.02090	11.1
316.05533	3.0
330.03821	46.3
331.04575	26.4
332.05054	0.9
351.07684	0.9
407.07867	2.3
425.08795	2.8
463.08765	1.1
521.21893	1.2
537.60193	1.1
639.15674	100.0
640.15967	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	639.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93405	0.4
56.40097	0.4
57.03318	0.5
59.01265	0.5
61.98710	0.8
65.00196	1.1
69.65157	1.8
77.91610	0.4
83.01263	0.8
93.03348	1.2
107.01266	1.3
119.04919	60.3
120.05247	2.4
121.02834	0.5
123.00774	1.0
125.02336	1.3
138.03159	0.7
151.00285	2.3
161.02377	0.4
163.03922	32.6
164.04269	1.5
169.44537	0.4
171.10284	0.7
194.03442	0.4
209.06073	0.6
209.11768	5.4
210.12138	1.2
211.04001	0.9
211.13385	4.3
221.06068	0.4
224.04764	0.5
225.05406	0.5
233.15405	0.5
235.03970	0.5
237.05598	2.0
239.03525	0.6
248.04811	0.6
249.05530	0.7
250.06285	0.5
251.03581	0.5
252.04214	1.1
253.05103	1.0
253.09315	0.4
263.03574	0.7
264.04349	0.7
265.05029	4.2
266.05722	0.6
267.02997	0.4
269.04834	0.4
277.05099	1.7
279.02963	1.1
280.03769	4.4
281.04318	1.2
288.03934	0.4
292.04031	0.8
293.04553	6.4
294.05310	5.8
295.05688	1.0
296.03064	0.5
305.04315	0.5
308.03329	11.3
308.06879	1.2
309.04028	26.0
310.04526	2.9
321.04037	8.7
322.04797	23.1
323.05197	2.3
323.08676	0.6
335.05698	0.8
343.05923	0.5
345.07751	0.7
346.04800	0.9
347.05701	0.4
350.07852	0.5
354.03799	24.1
355.04025	1.9
359.05588	1.0
361.07269	0.9
365.10440	0.6
371.05566	1.6
372.06387	0.6
373.07141	1.1
389.06659	1.8
399.04999	4.2
400.05524	0.8
401.06705	1.8
413.06528	0.7
414.07516	0.8
417.06088	1.6
418.25204	0.5
427.04379	2.6
428.05350	1.3
429.06058	1.3
441.06079	1.1
444.04382	0.7
445.05594	15.0
446.05890	2.0
459.07053	2.1
460.07840	3.7
475.10327	100.0
476.10666	13.5
484.84241	0.5
621.33051	1.2
638.33215	0.5
639.15063	56.5
640.15424	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50924	1.1
52.23912	1.1
59.01238	4.9
61.98696	5.5
65.00179	1.8
71.53119	1.9
78.95782	1.5
83.01245	1.2
85.02821	1.5
87.27763	1.1
88.98730	1.5
89.02322	1.4
93.03336	1.5
95.01242	1.3
96.95889	1.2
101.02267	1.3
101.06683	1.2
107.01256	1.9
111.00764	2.1
113.03527	1.1
119.04909	64.6
120.05217	3.1
121.02812	1.8
125.02294	1.6
128.71428	1.4
131.04477	1.9
131.25764	1.2
141.91545	1.3
151.00293	3.5
159.87711	1.2
163.03911	26.1
164.04198	2.7
177.01791	1.4
209.11752	15.5
211.13339	12.4
212.13554	1.3
225.05788	1.3
233.15540	2.0
237.05630	1.8
265.05090	3.0
279.03107	1.4
280.03705	3.5
285.04022	4.6
291.03076	1.4
293.04565	7.0
294.05304	5.5
308.03238	8.9
309.04004	25.2
310.04446	3.3
321.04041	8.8
322.04730	21.7
323.05017	2.6
327.34595	1.4
346.04727	1.6
353.10336	2.3
354.03790	22.8
355.04050	2.9
359.05576	1.6
389.06549	2.0
399.05212	4.4
403.24780	2.9
413.06909	1.5
417.06171	1.3
421.26157	1.4
427.04514	1.6
428.05035	1.6
445.05594	16.0
446.05576	1.3
459.07303	3.2
460.07776	3.8
475.10312	100.0
476.10663	17.2
590.21539	1.9
621.32263	2.3
638.33240	2.8
639.15088	65.2
639.33624	4.9
640.15399	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.2
59.01245	4.7
61.81433	1.3
61.98699	5.5
65.00195	2.0
65.18556	0.9
69.03316	1.2
69.42201	2.1
69.42609	4.8
71.01260	3.4
72.99178	1.7
75.00745	2.5
80.96424	1.3
83.01252	1.5
85.02821	2.4
89.02306	1.3
93.03323	1.2
99.00738	1.4
101.02301	1.7
107.01266	3.2
111.00809	1.3
113.02285	2.4
116.92725	6.7
118.97970	3.2
119.04922	1.3
121.02860	2.0
123.04459	1.4
125.02325	2.0
133.02826	9.7
135.04433	1.8
136.01576	2.2
137.02327	2.6
145.02815	1.2
149.02361	3.1
151.00275	8.9
151.03967	1.3
160.01476	1.3
161.02359	1.9
163.03926	1.4
165.01851	1.8
175.03926	5.9
177.01866	1.2
179.03307	1.6
198.03175	1.2
199.03870	2.0
201.01909	1.8
216.04158	1.7
217.04971	1.9
243.02966	3.5
247.09778	1.6
255.03001	11.1
256.03775	9.9
257.04327	2.1
271.02576	2.3
283.02481	20.4
284.03235	32.1
285.04022	100.0
286.04422	8.0
297.03912	1.2
301.03510	7.7
315.05185	1.4
378.76556	1.1
432.08688	1.7
433.09143	12.6
434.09650	1.5
447.09308	1.4
459.07132	1.6
579.35840	1.1
595.14526	81.3
596.14819	12.9
639.13519	5.6
639.22589	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	639.1201
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.77417	0.4
59.01243	1.2
71.01222	1.7
83.01258	0.7
85.02822	1.5
85.48824	0.5
87.00752	0.6
95.01259	0.7
99.00726	0.5
107.01247	1.2
109.02892	0.5
113.02325	2.1
121.02831	0.6
151.00256	5.1
163.00227	1.2
168.16284	0.4
169.01326	0.6
171.21521	0.5
174.03117	0.6
175.02432	0.6
178.99750	1.9
190.02586	1.4
216.04262	0.7
226.02724	3.5
227.03339	2.1
233.58382	0.5
243.02957	10.8
244.03528	0.7
254.02129	3.6
255.02943	6.1
257.04501	0.6
271.02460	44.4
272.02908	4.9
285.03976	0.8
299.01947	0.7
300.02725	46.1
301.03427	18.2
302.03778	0.9
343.04556	1.2
463.08798	100.0
464.09116	12.9
505.09933	2.2
535.10999	2.2
622.44623	0.5
639.11963	8.3
640.12488	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	639.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95845	1.2
57.03329	1.3
59.01239	5.9
61.98694	1.3
63.42974	1.3
69.28073	11.9
71.01253	5.3
80.19800	1.4
83.01253	2.3
85.02818	4.8
87.00777	2.2
87.26670	1.1
88.98639	3.0
89.02315	1.4
93.03306	1.6
96.95847	1.6
101.02325	1.9
107.01250	2.4
113.02309	2.2
116.92754	1.7
118.97980	2.2
120.99554	1.6
121.02854	2.6
123.00804	1.8
125.02316	2.0
133.02821	6.7
135.04399	1.8
136.01508	1.4
137.02365	1.7
139.03935	2.2
149.02339	3.6
151.00308	6.4
151.03931	2.0
161.02339	2.3
165.01834	1.3
166.02599	1.5
175.02403	1.4
175.03902	3.0
181.05013	2.8
188.26463	1.6
191.05376	1.7
199.03943	3.8
203.03476	1.7
227.03352	2.1
243.02974	4.1
255.02968	23.4
256.03693	18.4
257.04324	2.0
267.02979	1.5
269.04410	1.7
271.02478	7.2
283.02490	40.6
284.03232	58.0
285.04016	100.0
286.04364	8.8
299.01929	6.4
299.05246	2.0
300.02744	5.8
301.03284	3.2
314.04382	7.8
315.05075	17.9
330.03592	1.4
424.04987	1.4
433.09256	30.8
434.09561	4.3
477.10220	16.6
528.19812	1.8
595.14514	41.9
596.14526	5.7
639.14911	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22656	1.1
54.71651	1.1
57.75724	1.1
59.01238	2.3
61.98694	2.5
69.31903	9.1
73.02801	1.1
76.53525	1.2
83.01284	1.7
85.02830	2.8
98.19747	1.9
108.65666	1.3
109.02849	1.6
119.04916	1.2
121.02858	1.3
125.02367	1.9
133.01192	1.2
133.02831	2.3
134.03616	4.6
135.04347	1.6
137.02318	2.3
149.05977	2.0
151.00226	3.4
161.02339	1.5
175.03854	1.8
177.01895	1.6
214.11914	1.2
227.03413	1.4
255.02963	100.0
256.03629	22.8
257.04129	1.4
269.04602	1.3
283.02481	89.5
284.03232	79.8
285.04010	52.7
286.04401	3.8
296.03174	1.7
297.03864	2.0
298.04596	2.1
313.03540	4.7
315.80557	1.5
326.04398	2.3
327.05099	2.1
433.09280	35.4
434.09540	5.0
445.07358	2.1
446.08487	29.4
447.09186	26.4
448.09308	3.3
595.14532	63.8
596.14941	13.9
635.19971	1.2
639.13239	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	639.1202
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
51.14598	0.3
56.33596	0.3
59.01253	0.3
65.00182	1.1
71.01241	1.5
72.99152	0.6
78.97299	0.3
83.01228	0.9
85.02829	0.9
88.79688	0.3
95.01261	0.6
98.20502	0.7
101.02325	0.4
105.04157	0.3
107.01236	1.5
109.02834	1.0
111.00777	0.8
113.02313	1.3
113.76627	0.3
113.97565	0.3
115.00225	0.5
121.02837	0.7
125.02337	1.1
131.03339	0.5
133.02838	2.8
135.04398	1.0
136.98734	0.4
137.02299	1.0
139.00269	0.9
149.02338	2.8
151.00258	4.1
164.98354	0.4
165.01846	1.3
165.99025	0.4
166.40099	0.4
166.99686	0.8
173.06125	0.3
175.03902	0.4
177.01860	0.5
178.99728	0.6
187.03954	0.5
191.03490	0.7
192.00534	0.9
193.01357	0.6
199.04042	0.5
201.01888	0.3
201.05402	0.9
211.03935	0.7
215.03439	1.2
217.05075	0.5
227.03465	0.9
229.04987	1.1
229.21104	0.3
233.04456	0.8
239.03423	0.5
243.02974	0.5
245.04361	0.5
255.02885	2.5
257.04541	2.9
259.02338	0.4
271.02469	0.7
272.02762	0.5
273.03888	1.0
283.02448	3.1
284.03168	0.5
285.04044	2.7
286.04562	0.5
299.01990	0.7
300.02716	3.0
301.03513	100.0
302.03867	8.6
335.10022	0.3
337.07840	2.4
343.04550	4.0
344.04916	0.4
355.04602	0.4
373.05496	0.3
505.09836	2.7
639.12048	13.9
640.12408	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.3
61.98701	2.6
66.03386	1.7
67.05396	2.8
69.24553	7.3
69.24966	3.4
70.10574	1.2
71.04900	3.4
78.95776	6.2
86.10725	1.3
98.19785	3.0
112.02679	1.3
116.07053	41.8
117.05471	1.5
119.35491	1.3
125.03449	4.0
126.88824	1.2
129.10237	10.7
130.08652	4.5
140.07092	4.6
142.04929	1.6
143.11792	5.1
144.10194	29.5
152.99471	3.8
153.10243	3.2
155.08173	2.0
167.08171	1.6
180.10258	2.2
182.10547	8.1
183.11264	3.0
185.16444	3.0
191.20775	1.5
194.11784	4.4
195.90750	1.3
197.09435	2.1
198.11299	4.3
207.14954	2.2
209.09300	3.7
210.15002	6.7
225.16035	74.4
226.16440	2.6
239.10432	2.1
267.20822	3.2
283.16711	2.3
289.74927	1.4
311.19867	1.5
324.22876	2.0
325.21304	100.0
326.21686	7.7
329.20795	4.2
343.22482	8.7
424.28110	7.5
442.29080	18.4
443.29474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90253	1.1
52.95689	1.1
55.47426	1.0
57.03329	1.8
59.01247	17.3
61.21178	1.2
61.26133	1.2
61.98700	4.2
65.03819	2.2
69.03315	3.2
70.07275	4.4
71.01255	20.3
72.99172	2.2
73.02812	3.2
75.00720	1.3
76.80198	1.2
78.03548	1.2
81.03307	1.2
83.01261	2.6
83.04903	1.9
85.02824	8.6
87.00724	6.1
89.02319	5.7
93.03304	1.5
95.01281	1.3
95.04903	1.4
97.06445	1.9
99.00733	1.5
101.02332	11.0
105.06969	1.2
109.06464	2.8
113.02394	5.8
114.26514	1.2
115.05413	2.9
119.03368	2.8
119.04900	5.4
121.02826	5.2
123.08067	2.7
125.09612	11.4
134.03658	1.2
145.04982	2.5
151.51663	1.3
153.09093	1.2
161.04437	3.0
163.03859	3.1
163.11182	2.3
171.10182	3.0
185.11696	3.8
187.09750	1.7
187.14836	4.2
189.12805	1.7
191.10747	1.8
205.12225	1.8
209.04549	3.7
209.11794	17.2
211.13274	3.1
213.12775	4.6
221.15306	2.4
227.02844	1.3
231.13837	15.2
233.11777	1.6
235.08177	5.9
247.13388	2.4
249.14906	3.0
253.09384	2.1
261.14700	1.7
270.39746	1.1
285.03940	1.6
329.24786	3.9
339.23315	4.7
347.19720	1.6
355.22781	2.9
357.24506	2.6
361.07574	1.3
365.21283	2.1
373.23807	7.5
383.22308	19.1
384.22968	1.5
391.24945	5.2
401.23331	30.6
401.28537	2.1
402.23401	2.6
419.24423	12.5
420.24545	1.4
609.32660	4.7
619.31183	100.0
620.31647	19.4
637.32306	38.2
638.32373	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.6
57.03308	1.3
59.01249	11.3
59.14567	0.5
61.98688	1.4
65.03819	2.7
69.03315	2.2
71.00895	0.8
71.01252	10.3
71.04887	0.9
72.99168	1.0
73.02816	2.2
81.03318	1.1
83.01249	1.4
83.04882	2.0
85.02843	2.4
87.00739	3.7
89.02308	4.7
91.05381	2.2
93.03298	0.9
95.01257	1.2
95.04935	1.0
97.02792	0.6
97.06458	3.0
99.00767	0.7
101.02317	7.9
103.05386	0.6
105.06985	0.6
109.06458	1.7
111.00848	0.5
113.02324	4.2
115.05402	2.4
119.03381	1.1
119.04897	1.7
121.02824	0.8
123.08045	1.3
125.02307	0.7
125.09610	11.2
129.60564	0.6
133.05034	0.5
133.10118	0.6
135.08034	1.4
137.09659	0.7
138.98792	0.5
145.02841	0.6
145.04956	2.1
161.04474	1.8
163.03886	0.9
163.11171	1.0
165.12718	1.1
171.10234	0.8
185.10103	0.6
185.11726	3.5
187.09668	1.5
187.14850	4.2
189.12645	0.7
191.10667	1.0
195.11671	0.8
201.12764	0.6
205.12224	1.5
209.11772	20.9
210.12082	1.9
211.13368	0.8
213.12766	6.4
215.10698	1.0
227.14424	0.7
231.13858	13.6
232.14081	0.8
233.11763	1.6
235.08145	3.3
235.13301	1.2
247.13506	0.6
249.14993	2.2
253.09250	1.5
285.15182	0.6
321.22495	0.8
329.24719	0.7
339.23245	2.6
340.23413	0.6
355.22873	0.7
357.24335	0.8
365.21124	2.3
373.23904	2.8
383.22232	13.6
384.22604	2.7
391.24713	1.0
401.23282	13.0
402.23660	1.9
419.24335	3.8
445.20831	0.6
459.27298	0.5
609.32080	0.6
619.31177	100.0
620.31519	19.0
637.32263	18.6
638.32538	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	637.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18333	0.3
57.03310	0.4
59.01245	1.9
59.77856	0.3
69.03320	1.0
69.97405	0.3
70.11906	0.3
71.01253	11.7
71.29404	0.3
71.53091	0.4
72.99177	1.6
73.02822	0.6
75.00738	0.6
83.01256	2.1
85.02825	3.5
87.00755	0.7
89.02310	1.0
91.65865	0.4
94.45554	0.4
95.00007	0.3
95.01262	1.2
99.00748	1.5
100.11780	0.4
101.02299	1.1
102.02580	0.3
103.00191	0.8
113.02336	4.9
115.00249	1.8
119.04987	0.4
131.03386	1.1
133.01317	1.3
135.04405	0.4
137.02333	0.6
139.00261	0.5
139.30164	0.4
140.78516	0.4
140.93927	0.3
149.02261	0.4
151.00366	0.5
175.02371	0.8
175.03841	0.6
192.04289	0.6
193.68808	0.3
223.47055	0.3
268.03705	0.6
271.02475	18.6
272.02826	1.1
284.03265	1.5
285.03979	3.6
289.05652	1.0
297.11139	0.4
299.01968	34.3
299.05219	1.1
300.02457	3.5
307.06696	8.0
308.06894	0.8
313.03546	3.9
314.04318	30.6
315.04669	3.0
328.05624	0.5
329.06653	100.0
330.06989	10.7
371.07596	1.2
392.84497	0.4
487.08252	0.5
493.09665	0.6
503.11539	0.4
563.87500	0.5
575.14258	0.7
637.14111	14.0
638.14014	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	637.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66966	0.2
55.01472	0.2
55.01748	0.3
56.70572	0.2
57.03321	0.4
59.01260	1.5
60.78913	0.2
63.02279	0.3
65.00209	0.4
68.58992	0.2
69.28990	0.3
69.58917	0.2
71.00847	0.4
71.01253	8.5
72.99171	1.8
73.02802	0.7
78.32552	0.2
83.01258	2.1
85.02824	3.3
87.00761	0.5
87.33912	0.2
89.02327	0.7
95.01245	1.3
99.00739	1.0
101.02310	1.9
107.01265	1.0
113.02329	3.9
115.00232	1.7
129.01859	0.2
131.03473	0.3
132.02092	0.3
133.01294	1.2
133.02856	0.5
134.03613	0.8
139.00247	0.6
151.00264	1.5
161.04440	0.4
175.02330	0.3
176.22539	0.2
183.04323	0.3
199.04117	0.3
200.04697	0.5
211.03911	0.7
227.03439	0.8
228.03923	0.2
229.56731	0.2
239.03432	0.3
243.02829	0.4
255.02913	1.4
256.03683	3.6
271.02496	0.5
278.00516	0.3
278.62411	0.3
283.02521	1.1
284.03244	70.0
285.03696	6.7
297.04065	0.8
298.04877	0.7
299.05588	100.0
300.05936	7.4
319.06924	1.1
329.06625	0.7
337.07736	8.4
338.08130	0.3
341.06641	1.2
342.06998	0.3
457.07822	0.3
469.11392	0.2
503.12061	1.0
549.22388	0.3
575.13983	0.8
593.15283	0.3
637.14117	8.8
638.14587	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	635.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03327	0.9
58.00447	1.3
59.01247	22.3
61.98698	2.3
62.50153	0.9
71.01250	16.7
72.99161	3.0
73.02802	3.2
83.01247	2.1
85.02831	7.0
87.00743	1.3
88.98710	0.8
89.02318	13.4
95.01234	1.3
98.19758	1.8
99.00733	1.2
101.02320	13.2
109.02843	1.2
113.02280	6.4
119.03366	3.4
119.04848	1.1
125.02337	1.3
127.11050	0.9
131.03409	1.0
134.03647	0.9
135.04414	1.7
137.02380	1.1
147.18556	0.9
149.02364	1.7
151.00304	1.3
171.10223	6.7
177.01747	0.9
179.03386	2.2
181.04951	0.9
201.11226	2.1
207.02838	2.8
209.11746	2.6
213.05470	1.9
235.02420	4.8
235.08186	1.0
272.03229	0.9
285.04108	1.3
311.22318	1.4
374.93988	1.2
455.26483	3.9
473.27539	16.8
474.28107	2.9
623.14935	1.2
635.11066	6.2
635.32782	100.0
636.10767	2.2
636.22552	1.1
636.33081	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	635.356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00293	1.4
61.98710	2.1
68.22245	1.3
69.88176	5.6
72.72704	1.3
78.95770	22.2
96.96832	2.8
98.20483	2.3
107.95501	1.3
127.11150	1.9
148.05914	1.5
152.99492	27.1
171.00485	3.5
171.10172	100.0
172.10593	3.7
227.03171	4.0
253.21663	22.9
254.21970	2.4
307.09506	3.1
331.98767	1.7
381.13290	2.0
399.14227	83.6
400.14468	4.3
433.57230	1.7
439.57166	1.7
635.35577	19.8
636.35699	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	637.1043
Annotation	Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Peak:m/z	Relative Intensity
57.03332	0.3
59.01048	0.2
59.01247	2.1
63.02264	0.3
65.00194	0.6
65.71143	0.2
68.29462	0.2
71.01257	1.9
71.92197	0.2
72.99174	0.6
73.02811	0.4
74.45619	0.3
75.00729	0.7
80.71716	0.2
83.01254	0.6
85.02822	2.4
87.00745	0.7
89.02311	0.6
95.01273	0.8
96.66334	0.2
98.19800	0.8
99.00749	0.8
101.02383	0.3
101.56852	0.3
103.00274	0.3
107.01298	1.5
108.00504	0.2
113.02328	2.3
119.04906	0.3
121.02845	0.5
132.50905	0.2
133.02829	5.0
141.46165	0.3
149.02324	1.2
151.00273	3.5
171.04495	0.3
175.02510	0.6
175.03908	2.1
189.05336	0.3
198.03151	0.5
199.03922	1.7
200.04239	0.3
201.01874	0.7
211.03839	0.3
213.05434	0.5
217.04987	1.1
223.03914	0.4
241.05023	1.0
243.02982	0.6
250.70418	0.2
256.03802	0.3
257.04462	0.4
283.02570	0.3
284.03418	1.3
285.04034	100.0
286.04382	8.7
299.05405	0.3
314.06537	0.3
327.05185	1.0
343.64407	0.2
357.06119	0.8
369.06107	0.3
461.07242	48.7
462.07574	6.1
479.08600	0.7
568.32935	0.3
574.86426	0.3
637.10114	2.3
638.11176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	5.4
57.03317	3.1
58.59747	3.2
59.01244	12.6
61.98708	33.2
68.26018	3.1
69.03327	100.0
70.03658	5.4
71.01242	12.2
71.20225	3.8
71.20545	3.5
72.99168	5.0
73.02855	3.2
78.39305	2.7
81.10010	2.7
83.01234	3.2
85.02822	12.9
85.62999	3.0
87.00742	4.3
87.03895	2.7
92.65694	3.0
93.03345	3.7
96.95879	11.1
97.02835	23.1
99.00757	28.4
101.02299	5.2
113.02331	3.1
119.04913	2.9
125.02318	5.0
128.31940	2.8
137.02342	3.7
141.01842	5.2
149.02371	5.8
151.03882	4.5
153.01826	11.5
161.02351	6.1
163.03853	3.5
164.04607	3.7
165.01840	5.6
167.03395	3.4
175.03944	4.6
177.02011	2.7
179.05489	3.6
185.00832	80.1
209.02934	3.7
223.06215	6.5
285.03891	8.1
635.15717	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	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02258	0.5
55.01756	3.6
59.01252	0.9
61.98694	0.4
67.01772	0.9
69.03326	100.0
69.29391	3.0
70.03653	2.0
71.01251	1.5
72.99186	1.8
79.01778	1.5
83.01248	0.4
83.39164	0.3
85.02806	1.9
89.02273	0.4
95.01257	3.2
97.02829	22.3
98.03178	0.6
98.19809	0.5
99.00756	26.0
104.77119	0.3
113.02338	1.3
119.04927	0.8
123.00776	1.4
125.02393	0.5
131.94704	0.4
135.04430	0.7
137.02328	0.4
141.01831	8.8
149.02362	1.0
154.27393	0.3
159.21591	0.3
161.02364	0.8
163.03947	0.6
164.04680	0.8
165.01886	2.3
179.03384	0.4
180.04218	1.2
185.00839	70.2
186.01202	2.4
193.01352	0.7
193.04973	0.4
195.06630	1.8
208.03722	1.0
223.06058	3.1
224.06433	0.3
225.07664	1.1
264.10419	0.3
278.19754	0.3
285.04037	0.4
418.06616	0.4
622.66833	0.4
635.16138	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	629.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69632	0.7
54.36506	0.6
54.42518	0.7
59.01241	2.3
61.98715	1.4
66.03348	1.1
67.05380	1.3
71.01253	2.4
71.02378	1.0
71.04854	0.9
71.08083	1.1
71.39198	0.8
72.48103	0.7
73.02815	1.8
79.95624	0.8
82.06507	1.3
88.03912	97.4
89.02335	1.9
89.04256	1.0
96.95905	1.0
98.02340	1.2
101.02316	1.1
102.40005	0.7
108.08069	5.8
113.02287	1.0
116.07075	3.6
118.53281	0.7
125.09607	1.1
126.04224	4.4
127.11195	1.3
129.10207	0.9
130.08646	0.7
131.04890	0.8
137.09622	1.0
139.08649	0.8
140.07080	1.1
146.06013	49.0
147.04489	0.8
147.06352	2.0
149.98984	0.7
152.07098	9.2
157.13336	3.8
158.05984	2.2
160.07597	1.8
169.09766	2.1
169.12161	1.8
171.10193	4.4
174.09186	1.1
179.11801	1.4
181.08603	0.9
183.11385	4.1
183.13745	1.4
186.05527	7.6
196.06105	6.4
197.11769	2.0
198.12196	0.7
199.09683	11.8
199.13335	1.6
201.11108	6.8
201.12436	9.2
203.08212	8.9
209.11739	10.2
211.13358	11.4
225.11017	0.8
228.54616	0.7
235.08176	1.7
253.09219	3.0
255.15009	2.6
263.62097	0.7
267.03659	0.8
279.72183	0.7
299.14050	2.0
326.18637	1.8
344.19742	1.8
370.17645	1.1
375.21921	1.2
388.18759	100.0
389.19080	12.5
414.20111	1.3
432.21368	79.3
433.21579	11.9
435.18484	2.3
455.53271	0.8
469.24524	2.6
487.25488	3.5
525.21887	0.9
593.29474	1.3
611.30853	1.0
629.29620	5.0
630.29840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2694
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
53.47448	0.4
59.01241	1.7
61.98706	8.3
63.96101	1.2
69.03328	0.8
69.87116	2.1
71.01260	6.1
73.02810	1.6
78.95789	0.5
78.98455	4.0
79.95606	15.9
80.96393	54.9
81.03335	0.8
83.54716	0.5
85.02839	3.7
87.00760	2.1
89.02386	0.6
93.03328	0.6
94.97966	11.7
95.01288	0.6
96.95885	1.5
97.02849	1.4
98.19850	0.7
99.00762	0.9
101.02308	3.2
103.00233	0.7
106.97961	2.1
109.02847	0.6
114.49353	0.5
118.97910	0.5
119.04926	0.8
122.97464	2.3
125.02350	3.3
127.03933	1.0
134.03647	0.6
134.97478	3.9
135.04451	1.2
136.99002	1.4
137.02353	1.5
148.99059	4.8
150.48596	0.5
151.00279	0.8
152.98560	4.9
153.01921	0.8
160.01471	0.6
161.02309	1.0
163.03841	0.7
164.98546	10.7
165.01762	0.5
171.10167	0.9
175.03928	0.7
183.13763	0.7
190.02477	0.6
191.01776	0.5
191.05508	0.7
193.04982	0.9
198.53752	0.4
206.99623	1.9
214.81569	0.4
225.00711	17.3
226.00990	0.8
241.00204	0.8
299.04526	2.7
313.03397	0.6
314.04483	2.3
319.36060	0.5
337.09360	0.5
342.03790	1.9
357.06192	5.1
365.61328	0.5
371.06555	0.9
387.07065	1.5
399.09668	0.7
413.11331	0.5
447.72501	0.5
471.15390	0.7
473.03976	0.5
564.12311	1.0
627.26886	100.0
628.27344	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	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21872	1.7
57.03320	3.3
59.01236	8.2
61.98670	2.4
63.80367	1.9
71.01250	10.9
75.10715	2.0
78.95771	1.9
79.95641	1.7
80.96393	8.4
81.03296	2.6
83.01238	3.8
85.02817	26.2
87.00763	4.5
89.02327	2.8
93.03333	10.0
95.01301	2.0
96.95888	5.6
97.02785	2.0
99.04392	3.2
101.02321	2.5
109.02820	3.7
111.00752	3.7
113.02370	2.9
119.04887	2.4
121.02825	3.6
123.04391	2.9
125.02338	16.4
127.03898	4.2
134.03633	5.9
135.04495	4.3
137.02335	9.0
143.03383	2.5
149.02304	2.6
151.00298	2.2
152.01062	2.6
153.01804	2.8
153.79846	2.1
160.01579	4.1
161.02325	4.9
164.98523	2.8
165.01814	5.3
166.84723	1.8
167.03386	8.2
173.04480	3.2
173.05945	3.4
174.02972	1.8
175.00302	3.0
175.03960	3.0
177.01762	2.2
190.02649	3.7
191.01854	2.9
191.05534	100.0
192.05800	5.5
193.04929	2.5
197.06020	9.4
201.05499	1.9
205.05011	5.7
212.04802	2.4
212.34378	2.0
213.05524	5.8
214.02603	5.0
215.07083	4.9
217.04955	2.5
223.03877	3.1
223.06024	2.3
225.00638	3.5
225.05525	11.4
226.02597	2.4
227.03395	6.2
229.01357	15.1
229.04979	3.0
230.01984	4.4
235.04092	3.1
239.03471	3.3
240.04366	3.6
241.05042	31.2
242.02319	3.4
243.06607	8.9
251.03406	8.0
253.05069	5.9
261.11414	3.0
263.03418	5.8
264.04086	4.0
265.05121	2.3
267.02994	5.4
269.04535	17.7
270.04871	2.3
285.03891	5.0
287.05627	3.0
297.03973	9.8
303.06595	2.9
309.04361	2.3
315.05081	5.7
331.06094	2.4
349.07031	3.1
373.07126	3.3
389.06552	8.0
391.08401	3.3
409.09122	6.1
417.06235	8.3
435.07147	31.9
436.07663	4.2
453.08255	11.1
489.10516	10.9
553.25116	2.3
609.11932	4.5
627.13525	71.3
627.26208	13.3
627.72595	2.9
628.13672	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75985	0.6
60.46958	0.6
61.98726	0.7
64.44569	0.7
65.00208	1.2
70.13532	0.7
71.16203	1.1
74.84953	0.7
75.00735	3.4
77.70512	0.6
79.86129	0.7
83.01271	0.7
85.02818	1.7
95.57576	0.7
107.01283	2.4
109.02869	1.7
111.00748	0.7
115.72543	0.7
121.02843	1.3
125.02351	0.7
129.01865	1.5
151.00276	8.5
165.01848	1.1
175.00342	1.0
175.03989	1.6
178.99783	2.8
187.03909	0.8
193.01306	0.7
199.03894	3.8
201.01892	1.5
203.03548	1.1
215.03465	1.9
223.19452	0.7
226.02728	0.9
227.03455	3.5
229.05164	0.8
240.19800	0.6
242.02138	0.8
243.02898	4.6
254.02217	0.9
255.02885	2.8
262.13635	0.6
271.02472	68.5
272.02832	6.0
285.04025	2.8
286.04385	1.6
287.04614	1.6
299.01956	100.0
300.02536	17.6
301.03506	48.2
302.03711	3.4
313.03378	1.5
316.01944	1.0
343.04727	1.6
392.95239	0.7
406.55536	0.8
462.08032	26.6
462.14578	1.5
463.08786	46.5
464.08972	5.4
505.09805	1.2
625.14044	91.5
626.14423	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29258	1.0
53.28543	0.8
59.01241	1.0
60.45165	0.8
63.23359	0.8
63.86879	0.8
65.00189	3.2
69.03347	1.2
69.64194	4.2
71.01247	1.0
83.01272	1.9
85.02821	1.0
95.01270	2.0
99.00733	1.4
107.01273	3.3
108.02084	1.3
109.02824	4.1
109.99999	6.1
111.00752	4.9
121.02864	1.6
123.00745	4.0
124.01563	1.9
125.02312	2.9
133.02837	1.2
135.00832	0.9
135.04440	1.3
136.98729	1.7
137.02316	2.2
137.99475	1.7
139.00301	8.9
147.00749	1.1
148.01558	1.2
149.02367	1.1
151.00258	10.1
152.01115	4.9
153.01801	2.2
155.04988	1.1
159.68962	0.8
161.02354	1.4
163.00264	2.4
164.00974	2.5
165.01830	1.8
165.98950	8.0
166.99777	5.1
167.03471	1.4
169.01321	0.9
171.04482	2.1
173.02335	1.1
174.03104	1.7
175.03842	1.4
177.01883	1.3
178.99794	10.5
179.03340	0.8
183.04391	1.7
185.02292	1.2
187.03925	3.5
189.01859	2.2
189.05510	1.0
190.99733	1.1
193.98445	1.0
194.99251	1.6
198.03146	2.2
199.03940	5.2
200.04431	1.0
201.01831	3.0
202.02522	1.9
203.01718	1.1
203.03442	3.0
206.99248	3.0
208.00006	1.9
211.03918	1.2
213.01851	1.5
214.02634	3.4
215.03465	4.5
216.03947	1.4
226.02679	1.9
227.03477	7.7
229.01344	1.5
231.02899	3.9
232.03668	1.7
241.01416	2.0
242.02174	4.3
243.02937	10.5
244.03416	1.9
245.04439	1.6
245.39481	1.0
255.02890	7.2
259.02451	6.4
260.02917	1.4
270.01651	6.7
271.02463	39.6
272.03046	7.0
273.04086	4.3
285.03964	2.3
287.01987	15.7
287.04999	1.8
288.02606	7.8
289.03354	1.9
298.01111	2.5
299.01944	42.4
300.02536	7.5
301.03442	2.6
315.01572	2.9
316.02219	67.8
317.02960	41.5
318.03281	2.4
455.42752	1.1
463.08789	2.3
489.12662	2.0
499.11200	1.4
517.11841	1.2
581.15948	1.8
607.12897	3.4
625.14063	100.0
626.14374	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	625.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.1
63.02259	0.7
65.00199	2.2
66.29208	0.5
70.91099	1.0
71.01253	1.6
74.10238	0.5
79.63181	0.5
83.01250	1.4
85.02814	1.1
91.01768	0.5
107.01277	5.4
108.02050	2.0
109.02831	3.6
111.00841	0.5
112.05042	0.5
113.02334	0.7
119.96776	0.5
121.02873	2.5
125.02328	0.7
133.02861	1.3
135.00800	1.1
135.04437	1.1
137.02361	1.3
148.01546	1.1
149.02344	0.6
151.00276	17.3
152.00729	0.9
153.01826	2.0
153.93452	0.5
159.04344	0.7
163.00262	3.4
164.01108	0.8
165.01840	0.6
169.01338	1.1
178.99765	8.3
183.04546	0.5
187.03928	0.9
190.99738	0.9
191.01805	0.7
192.00502	0.7
198.61426	0.6
199.03847	1.4
203.03435	1.0
211.03902	1.5
214.02669	1.0
215.03506	0.9
217.05116	0.7
226.02711	2.2
227.03452	2.9
227.12836	2.5
228.03914	0.7
229.04945	0.7
239.03587	0.7
242.02135	0.9
243.02954	12.2
244.03375	1.3
245.04488	1.7
254.02184	2.4
255.02979	29.1
256.03442	2.2
259.02472	0.8
270.01614	0.8
271.02472	67.0
272.02933	6.2
273.04007	1.5
283.02469	0.8
285.04068	7.0
286.04428	4.5
287.01968	3.1
287.04663	3.8
297.69897	0.7
299.01962	2.5
300.02737	79.8
301.03448	41.1
302.03845	2.2
315.98535	0.7
316.02219	12.3
317.02936	3.4
343.04837	0.7
397.13126	0.9
415.14944	0.7
445.07584	0.6
463.08405	1.4
625.14063	100.0
626.14331	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	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98706	0.5
62.20095	0.3
65.00197	0.8
67.52317	0.3
69.51748	1.9
71.01241	0.8
72.99196	0.3
77.03843	1.1
79.01776	2.5
84.98601	0.3
85.02829	0.8
93.03345	0.4
97.02831	1.1
98.20649	0.3
105.03337	0.3
108.02040	1.7
109.02834	2.2
121.02843	6.0
123.00787	0.5
123.04430	0.5
125.02308	0.3
125.92439	0.3
133.02846	0.7
136.01555	0.4
137.02382	1.2
138.03120	0.3
139.03903	0.6
148.01570	1.5
149.02325	2.0
151.00259	0.4
152.00946	0.3
159.04453	0.3
161.02338	1.0
164.01062	0.3
165.01855	9.6
166.02420	0.4
167.03444	0.5
175.02443	0.3
177.01866	2.4
178.02570	0.6
183.02911	0.8
187.03940	0.5
190.02737	0.3
193.01329	3.4
197.05971	0.5
203.03531	0.4
205.01337	0.9
206.02214	0.3
213.05490	1.1
215.06985	0.4
225.05644	0.7
226.02573	0.5
228.04472	0.4
229.04942	0.7
230.05699	0.4
231.06322	0.4
239.03510	0.4
240.04242	2.3
241.05020	3.5
242.02130	0.4
242.05518	0.6
243.02866	0.7
244.03136	0.4
255.02785	0.7
256.03546	0.3
257.04538	10.9
258.05045	1.2
259.06094	0.7
268.03647	2.3
269.04550	21.7
270.01889	0.7
270.04941	1.9
271.02478	1.4
272.02966	0.5
284.03387	0.4
285.04041	54.1
286.04517	5.6
287.05359	0.8
297.03970	0.8
299.02106	0.4
299.05402	0.8
300.02631	0.7
301.02997	0.6
313.03574	2.1
314.04312	87.0
315.05035	46.8
315.08917	0.7
316.05377	4.7
317.05710	0.7
327.05176	0.5
329.06406	0.3
357.05927	1.0
400.16931	0.3
478.10916	0.5
479.10934	1.2
623.16150	100.0
624.16443	19.0
624.27063	0.5
634.22772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01822	0.3
55.11154	0.3
57.63626	0.3
59.01250	0.3
59.98610	0.3
63.02289	0.3
65.00199	0.9
69.66026	1.5
83.01253	0.7
96.41126	0.3
101.03848	0.4
107.01276	1.7
108.02108	0.4
109.51324	0.3
117.93341	0.3
119.20679	0.3
125.02316	0.5
128.45044	0.3
135.00787	0.7
137.02339	0.7
145.02844	0.5
147.00764	0.4
148.01498	0.3
151.00270	4.9
153.01834	0.6
155.04883	0.6
159.04405	0.4
163.00261	1.1
164.00963	0.3
169.01416	0.3
171.04411	0.6
175.03973	0.7
178.99715	0.5
183.04439	1.8
184.04976	0.3
187.03946	0.7
189.01898	0.4
198.03062	0.3
199.03943	5.3
200.04730	0.3
201.01868	0.6
203.03453	0.7
204.04182	0.3
211.03888	0.6
215.03487	1.9
216.04205	0.9
226.02588	1.0
227.03436	4.6
228.03972	0.6
231.02962	0.3
239.03400	0.3
242.02196	3.5
243.02957	27.1
244.03484	4.1
254.02225	1.1
255.02972	18.4
256.03476	1.5
257.04575	3.7
259.06137	1.1
269.04480	0.5
270.01724	3.0
271.02466	46.8
272.03049	7.2
273.03635	0.5
285.04041	8.1
286.04718	2.1
287.05563	2.2
299.01956	44.1
300.02695	44.1
301.03143	3.3
313.03479	1.0
314.04309	35.0
315.05084	100.0
316.05417	9.3
327.05154	0.3
357.06177	0.8
623.16132	63.6
624.16504	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	623.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80545	0.2
54.57549	0.2
57.03318	0.3
59.01257	1.5
63.02282	0.6
65.00215	0.5
68.99722	0.2
70.04246	0.3
70.04588	0.6
71.01260	2.8
72.99186	0.7
75.00760	0.7
83.01266	0.8
85.02817	3.2
87.00758	0.7
89.02302	0.3
95.01270	0.9
98.19918	0.2
99.00761	1.5
101.02329	0.4
103.00246	0.4
107.01268	1.2
109.02859	0.5
113.02332	3.7
115.00249	0.6
117.01836	0.4
121.02840	0.3
129.01839	0.2
129.78127	0.2
133.01329	0.4
133.02837	5.4
133.03815	0.3
149.02327	1.0
151.00269	2.6
151.03903	0.2
152.00726	0.2
164.98828	0.2
171.04372	0.3
175.02367	0.8
175.03925	1.8
177.01805	0.2
185.05998	0.2
187.03889	0.3
198.03065	0.2
199.03947	1.3
201.01848	0.5
213.05428	0.4
215.03490	0.3
217.04994	0.8
223.03737	0.2
227.03227	0.4
227.90645	0.2
241.04950	0.7
243.02840	0.5
255.03033	0.2
256.03775	0.8
257.04425	0.2
283.02371	0.3
284.03259	13.0
285.04019	100.0
286.04379	7.7
297.04071	0.9
298.04675	0.5
299.05624	0.6
313.03442	0.2
327.05057	4.9
328.05283	0.5
337.07535	0.9
339.05042	0.3
355.04761	0.2
356.30869	0.2
357.06091	1.3
369.06073	0.3
381.06195	0.5
425.14478	0.3
443.06332	0.3
447.09280	6.1
448.09702	0.6
461.07208	9.7
462.07520	1.2
484.66870	0.2
489.10516	1.0
495.09354	0.2
503.08188	1.5
533.09454	0.2
623.12457	9.8
624.12665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40504	0.2
54.86596	0.2
59.01245	0.6
63.02271	1.2
65.00195	0.8
69.03335	0.4
70.82041	0.2
70.82367	0.3
71.01250	3.2
72.99183	0.5
73.02805	0.3
83.01241	1.0
85.02814	1.2
87.00725	0.3
89.02304	0.3
95.01271	0.6
99.00774	0.5
101.02328	0.4
105.03339	0.5
107.01266	1.8
109.02841	1.1
111.48018	0.1
112.66228	0.2
113.02329	1.4
115.00243	0.7
121.02831	0.9
125.02328	0.4
128.45024	0.1
133.02837	6.3
133.03821	0.3
134.03157	0.2
135.04349	0.2
139.90424	0.1
147.04407	0.2
149.02328	1.8
151.00264	3.8
163.00398	0.2
163.03947	0.2
166.78522	0.2
169.06497	0.2
171.04422	0.4
171.21086	0.2
175.02472	0.3
175.03905	2.6
177.01811	0.3
185.00874	0.2
185.05960	0.6
189.05527	0.3
197.06033	0.4
198.03133	0.5
199.03882	2.0
201.01874	0.9
211.03976	0.2
213.05499	0.5
215.03438	0.5
217.04974	1.3
223.04012	0.2
229.04871	0.3
239.03421	0.3
240.04405	0.2
241.05005	0.7
243.02954	0.7
255.03104	0.2
256.03958	0.2
257.04468	0.4
267.02972	0.4
284.03253	2.4
285.04019	100.0
286.04370	8.3
289.07104	0.2
297.04034	1.1
298.04602	0.5
299.05573	0.5
309.03857	0.2
313.03467	0.3
319.06577	0.3
327.05087	5.5
328.05383	0.6
337.07645	2.2
338.08298	0.2
339.05023	0.5
355.04391	0.2
356.05283	0.2
357.06064	0.7
381.05917	0.5
399.07410	0.4
443.06253	0.4
489.10434	1.5
490.10815	0.3
561.13043	0.2
579.13519	0.2
623.12476	11.2
624.12866	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.5
59.01242	6.2
59.52338	0.8
61.98699	6.1
69.81556	1.8
69.81966	2.7
71.01261	3.5
78.95788	2.4
85.02827	2.2
87.00741	0.9
88.98670	1.5
89.02327	1.4
96.95890	0.9
97.06477	1.4
99.00737	1.6
101.02326	2.6
113.02280	0.8
123.08047	2.4
125.09575	1.2
129.01781	1.1
130.99199	0.9
137.02260	1.0
148.56937	0.9
157.12183	1.0
161.02330	0.9
168.57382	1.0
169.12268	1.7
175.03917	1.2
181.12279	1.8
185.11742	8.1
215.12743	1.2
255.02977	2.3
285.04132	2.4
343.24869	1.3
355.24908	3.2
371.24313	1.9
373.25931	100.0
374.26205	12.0
387.27496	1.0
415.27267	1.5
455.16357	0.9
574.71948	1.1
621.31323	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	621.1466
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
59.01243	2.8
61.98719	0.9
62.33908	0.8
69.03341	1.4
69.55154	4.3
71.01249	2.0
73.02831	1.0
74.09103	0.7
78.95777	1.8
83.01261	1.0
85.02830	2.1
87.00736	1.0
87.04389	1.4
89.02306	0.9
96.95884	1.2
97.02872	0.8
100.02272	0.8
101.02328	0.9
107.01264	1.0
109.02801	0.9
113.02320	1.4
118.97834	0.8
121.02841	1.4
123.67702	0.8
125.02331	1.3
133.78490	0.7
134.03647	1.6
137.02351	1.2
145.02855	1.8
149.02319	1.0
151.00294	2.9
160.01625	1.0
161.02301	1.5
165.05536	0.9
175.02432	1.4
175.03940	2.1
183.04448	1.1
185.00903	1.7
193.04955	1.9
199.03928	3.1
215.03403	1.8
223.06218	0.9
226.02534	1.3
227.03346	4.6
242.02173	2.8
243.02956	20.7
244.03494	2.3
254.02243	1.4
255.02962	13.3
256.03537	1.5
257.04504	1.7
270.01678	3.5
271.02481	34.5
272.03052	5.3
283.23108	0.8
285.04044	5.1
286.04684	0.8
287.05505	1.3
287.51688	0.8
299.01968	40.5
300.02716	32.3
301.03064	2.1
313.03732	1.1
314.04324	36.8
315.05096	100.0
316.05396	9.4
357.05951	1.1
477.10388	74.9
478.10782	9.0
500.24011	0.8
621.14709	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	621.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.4
59.01237	3.2
59.76599	0.9
61.22305	0.8
69.03318	1.2
70.12799	0.8
70.29775	2.9
71.01232	2.6
83.01283	1.2
85.02828	2.6
86.63009	0.8
89.02328	1.6
99.00728	0.9
99.04405	4.3
101.02316	3.5
121.02802	1.6
125.02299	1.4
137.02335	2.8
148.01578	2.0
149.02367	3.5
150.03094	3.2
151.00310	1.4
153.01839	1.0
161.04495	4.4
162.03619	0.8
163.00285	2.5
163.03929	2.6
165.01843	1.3
177.01859	1.5
191.03363	1.6
199.03983	1.1
208.93102	0.9
227.03485	1.1
243.02905	3.7
255.02974	2.6
257.04510	2.0
263.07880	1.2
269.04541	1.4
271.02460	12.1
272.02924	1.8
283.03055	1.4
283.06100	6.0
284.03259	1.1
285.04074	7.0
286.04694	2.9
298.04892	1.5
299.01987	9.2
300.02710	11.6
301.03430	4.3
312.02811	6.8
313.03540	15.8
314.04294	51.3
315.05042	19.4
316.05518	2.5
324.03046	1.0
325.03494	3.2
326.04160	1.5
327.05017	7.4
328.05585	1.7
329.06635	5.7
339.05038	1.2
340.02206	1.7
341.02899	2.7
342.03784	44.7
343.04163	4.7
354.03516	2.3
355.04587	2.0
357.06137	100.0
358.06403	11.0
369.06189	3.4
372.04813	11.6
373.05121	2.4
387.07193	55.5
388.07660	5.9
399.07117	6.6
400.07584	1.2
423.07239	4.7
424.07742	1.0
441.08032	7.0
444.06915	1.7
445.94824	1.1
459.09421	5.1
477.10364	27.7
478.10568	3.1
519.11560	6.6
621.14484	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.7
57.03317	1.4
59.01250	57.3
59.16361	0.8
61.98680	1.2
65.02271	0.7
69.03320	0.8
69.05139	0.8
71.01254	19.1
72.99166	1.1
73.02819	5.6
78.95795	1.2
83.01247	3.7
85.02816	10.2
85.99963	0.8
87.00743	1.8
89.02306	7.0
93.57270	0.8
95.01255	1.5
96.95883	7.3
96.96829	1.4
99.00750	2.4
101.02326	10.5
111.00752	1.1
113.02328	6.5
119.03417	1.8
125.02322	1.7
125.09608	1.7
135.08034	1.0
168.97667	0.8
169.01302	1.0
171.13757	1.1
264.94409	0.9
327.25330	2.1
390.78687	1.0
471.29608	1.9
489.30597	2.2
495.78625	1.1
533.29773	1.8
575.30688	100.0
576.30975	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.50829	1.7
61.98720	2.1
78.95778	3.8
81.13618	1.8
95.61663	1.7
98.20667	3.5
106.20232	1.8
133.02603	1.9
152.99507	5.4
229.65752	2.5
401.13486	1.8
415.15793	2.8
416.16290	12.5
417.17020	3.1
430.17963	1.8
459.18237	100.0
460.18616	16.6
473.19824	14.7
474.20111	5.4
501.19684	2.4
502.42068	2.0
518.19574	39.9
519.19867	6.7
532.21118	6.8
533.21899	85.7
534.22272	13.3
587.22894	7.3
619.25580	57.5
620.25562	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	619.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01256	60.4
72.99220	8.7
73.02823	15.6
83.01251	11.2
85.02802	20.3
89.02307	38.6
93.03308	9.0
95.01219	8.8
101.02335	41.3
113.02339	34.8
119.03384	19.5
131.03401	10.5
134.03625	11.0
135.04468	8.4
143.04938	6.8
155.03470	6.6
160.01483	6.3
161.04419	18.0
165.35890	7.3
175.03900	10.3
179.05507	12.3
193.05009	10.5
317.54315	8.1
323.08820	8.3
327.05109	15.4
332.70706	6.4
351.08817	12.2
379.08261	34.0
409.09219	20.1
499.12451	17.6
619.16418	97.8
620.17249	12.9
629.10944	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	619.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.3
59.01251	100.0
61.98705	6.6
68.84226	5.7
69.03310	14.9
71.00953	5.8
71.01258	66.1
71.53573	6.3
72.99180	9.4
73.02809	15.0
75.00773	7.1
83.01262	8.4
85.02831	73.2
87.00775	30.0
89.02325	42.6
95.01260	8.3
96.95865	12.6
97.02815	9.8
98.30563	5.5
99.00745	15.9
101.02320	45.0
111.00748	6.5
113.02304	33.8
119.03377	20.7
121.02855	13.1
124.01507	9.1
125.02316	21.9
128.12787	6.0
129.01793	11.7
135.04358	7.1
137.02338	10.3
141.01860	5.8
143.03355	22.5
151.73224	6.1
152.01038	8.2
161.02368	8.8
161.04468	28.7
164.04691	6.8
166.50407	5.9
167.03365	9.7
176.72375	5.7
178.98810	5.7
179.05534	14.0
223.06076	10.3
327.08145	6.1
515.24908	18.8
533.25916	27.7
575.26941	7.4
619.22260	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.98681	0.2
71.01259	0.6
71.30825	0.1
71.45187	0.2
72.99187	0.2
73.02807	0.3
78.95803	0.2
83.01238	0.2
83.70442	0.1
85.02814	0.3
89.02311	0.2
89.83319	0.1
93.03329	37.9
94.03662	1.0
95.01258	0.1
99.00738	0.2
101.02304	0.3
108.02023	0.1
109.02801	0.1
113.02324	0.3
121.02781	0.1
122.27864	0.1
125.02292	0.1
136.03908	0.3
137.02336	100.0
138.02663	3.6
148.05197	4.9
149.05586	0.3
151.00325	0.1
161.02382	0.1
161.04379	0.1
163.07544	3.1
164.07793	0.2
171.10182	0.2
172.10486	0.1
174.41132	0.1
209.11888	0.2
439.16068	0.3
440.16284	0.1
457.17197	0.1
499.18103	0.5
577.19189	0.2
619.19977	0.9
619.28558	0.1
620.20984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.8
57.03326	17.4
59.01248	5.5
62.14193	1.7
65.00199	3.1
66.07275	1.5
69.26762	2.8
69.27163	10.4
69.67452	1.5
71.01237	5.1
72.99181	2.7
83.01268	7.2
84.02058	2.3
85.02824	100.0
86.03157	2.9
87.00745	1.8
87.76519	1.4
95.01271	4.1
97.02845	1.6
97.60955	1.3
99.00771	1.9
106.00506	2.0
109.99998	3.8
111.00773	14.2
121.02839	13.5
123.00758	7.1
125.02324	4.2
129.01825	34.5
137.02328	4.1
137.99460	6.4
138.03130	2.8
139.00278	11.3
147.02907	15.3
153.01849	8.0
153.05486	10.3
166.99799	3.7
173.00810	10.2
181.01353	1.7
182.02097	5.3
182.99303	2.7
183.81389	1.5
191.01915	24.7
192.66437	1.5
196.03719	2.8
197.00813	3.2
197.04495	23.3
198.01640	9.2
198.04597	1.9
209.02931	7.5
265.07153	2.9
327.07434	3.4
371.06223	7.9
389.07327	8.7
569.11145	3.5
587.18207	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	619.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	2.6
52.24990	2.3
57.03323	7.1
58.38682	2.5
59.01250	16.5
61.98686	9.3
65.00193	4.9
67.67145	2.8
69.03309	4.2
70.00390	2.5
70.45071	9.3
71.01240	5.6
75.23667	2.7
78.95800	3.5
83.01259	3.9
85.02811	5.6
88.98681	13.3
89.15274	2.4
90.52013	2.5
93.03316	4.9
96.95908	3.2
101.02320	3.7
101.22692	2.6
109.02822	7.5
109.06489	5.6
121.02831	4.7
123.04408	8.9
124.01524	15.4
125.02354	4.1
125.09607	7.3
127.93961	3.1
133.06482	12.1
135.04358	3.6
137.02339	10.8
149.02324	12.5
149.05922	3.0
151.00233	5.3
151.03908	4.3
151.07593	6.1
152.01015	5.1
161.02318	6.2
165.01863	3.9
165.05469	3.0
175.03966	6.4
175.07558	6.2
177.01875	24.1
177.90810	2.8
189.05473	4.0
191.03389	5.2
193.04962	3.1
193.08641	72.7
194.08867	3.9
217.08498	2.6
219.06543	29.5
220.07179	2.9
221.08138	29.3
240.04347	3.1
243.06625	4.0
247.06136	18.5
249.07626	12.4
256.03815	4.8
267.10208	3.1
284.03244	4.7
285.04031	4.5
285.11215	3.9
299.05280	3.2
343.11874	25.1
353.10275	37.5
354.10471	5.9
367.11838	5.6
371.11340	100.0
371.24374	22.3
372.11539	10.7
392.09540	3.0
451.12372	7.2
453.13885	7.6
504.05466	3.2
547.18378	6.1
575.30011	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11522	0.4
59.01252	3.0
61.98707	1.5
63.91919	0.4
71.01235	2.9
73.02840	0.8
74.44582	0.5
80.02564	0.9
81.03340	0.8
83.01289	0.7
83.04889	3.0
84.02076	0.6
85.02832	1.2
87.00769	0.8
89.02326	1.7
95.04907	0.4
96.95902	1.0
101.02332	2.7
109.06502	0.5
113.02367	1.1
119.03369	1.0
124.73140	0.4
125.02347	1.4
125.09637	1.1
127.11170	1.7
135.08028	0.4
142.08243	0.4
151.03918	0.7
161.04478	0.8
163.11154	3.1
164.11501	0.5
165.12769	1.7
171.10181	100.0
172.10522	5.1
181.12318	0.4
191.10622	0.6
197.11816	0.6
209.11768	87.6
210.12099	6.4
211.13353	0.6
227.12827	12.2
228.13022	0.8
235.08203	3.4
253.09241	8.4
289.07315	0.7
407.19080	1.6
444.28281	0.4
445.20480	0.6
530.89313	0.4
581.29816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03162	0.6
55.01749	2.3
57.03318	12.7
59.01250	28.2
61.98695	1.0
68.99703	1.1
69.03321	1.6
71.01252	5.7
72.99181	2.4
73.02815	1.3
75.00748	1.8
81.03343	4.1
83.00790	1.1
83.01254	8.6
84.02045	1.6
85.02823	100.0
86.03159	1.2
87.00753	1.0
89.02315	1.0
96.95910	1.1
97.02824	0.7
98.19762	1.1
99.00750	1.0
99.04404	4.4
101.02338	1.6
107.01324	0.6
109.02843	1.8
111.00764	25.7
111.06481	0.6
112.01147	0.7
112.37070	0.6
113.02328	0.8
121.02881	0.9
123.70971	0.5
124.67071	0.5
125.02316	1.5
127.03910	9.4
129.01831	31.6
130.02147	0.9
133.02853	2.7
134.03618	0.9
135.04422	10.7
137.02315	1.4
139.03940	0.7
140.16644	0.7
141.44096	0.6
145.01318	0.8
147.02936	2.8
151.00296	1.5
153.01837	1.0
154.99770	1.3
161.02365	6.9
162.02783	0.7
165.01790	1.2
171.02885	1.5
173.00845	9.8
175.04037	0.7
175.07564	0.6
179.03412	6.3
180.03683	0.6
185.00899	0.8
189.03983	12.5
189.05618	1.3
191.01921	2.2
201.05511	1.0
203.07083	1.5
214.40831	0.6
215.01990	2.1
231.05049	1.9
233.02988	49.5
234.03346	2.3
247.06046	1.2
271.06113	0.8
275.04153	0.8
284.03226	1.0
285.03943	0.7
290.76147	0.6
291.05063	0.8
293.05148	88.2
294.05463	4.3
299.05579	2.3
354.79355	0.6
357.87015	0.6
361.91412	0.6
395.06537	0.8
410.83771	0.6
455.08240	1.0
468.33307	0.6
520.50360	0.7
579.17297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0986
Annotation	Crisamicin C
Peak:m/z	Relative Intensity
51.55457	0.3
59.01247	1.3
61.98695	1.2
63.02266	1.1
65.00189	6.2
70.44755	1.0
71.01226	0.9
83.01256	3.7
85.02828	1.9
93.03313	0.6
96.95946	0.5
98.20536	0.6
101.02263	0.4
106.58255	0.5
107.00622	0.8
107.01276	9.1
109.02796	0.4
121.02842	0.7
123.00743	1.2
124.01532	1.7
125.02339	1.2
127.28204	0.4
133.02797	0.7
137.02338	1.9
138.03119	1.2
139.03867	1.1
147.00798	0.7
148.01544	1.6
149.02333	2.0
151.00270	19.7
152.00600	0.7
153.05437	0.6
161.02312	0.8
162.03145	0.6
163.03873	1.4
165.01836	1.5
167.03371	0.6
167.04869	0.8
169.01393	0.5
175.03943	0.6
177.01785	0.5
177.05412	0.5
183.04424	0.7
185.11732	1.4
189.01776	0.8
190.99722	0.9
191.01836	0.6
193.01369	3.1
195.04497	1.0
197.02301	0.4
209.02446	0.7
209.11769	1.4
211.03964	2.6
213.05492	0.7
215.03477	0.9
219.06616	1.5
227.03395	0.5
235.03943	0.9
236.04710	0.5
237.01843	0.9
237.05521	1.7
238.02660	1.3
239.03464	12.4
239.79349	0.5
240.03836	1.3
241.01324	1.2
241.05135	0.4
249.05394	0.7
251.03421	1.2
253.05014	1.1
255.03049	1.3
257.02112	0.5
257.04553	1.9
261.05573	1.1
263.03491	2.0
265.01352	1.8
273.05615	0.5
275.07089	0.6
277.05084	0.9
279.03073	1.3
279.06650	1.3
280.03485	0.7
281.04446	3.5
283.02402	0.9
285.03870	0.6
293.04440	0.6
297.03717	0.6
301.05048	1.3
303.06525	1.1
304.03720	0.8
305.04398	3.5
307.02472	2.6
308.02997	0.5
317.04486	1.1
319.05930	0.8
321.04120	1.2
322.04764	0.6
323.05560	5.8
324.06003	0.8
329.04596	1.1
345.04022	1.1
346.04706	1.2
347.05576	6.7
348.05881	0.9
349.03491	3.8
359.05637	1.3
361.03473	1.8
361.07324	0.6
373.03537	1.3
374.04153	0.4
387.04758	0.5
389.03027	1.5
390.03625	3.8
391.04568	48.3
392.04935	6.9
403.04486	1.8
405.06186	6.8
406.06830	1.1
415.04770	3.8
417.02426	4.9
418.02908	0.6
431.03891	1.2
432.04568	1.6
433.05460	5.7
446.06180	2.3
447.06958	1.5
459.03357	3.0
461.08774	1.2
473.04636	0.6
513.94727	0.5
598.07654	1.0
612.32758	1.8
613.09821	100.0
614.10144	20.1
614.20306	0.7
637.60321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.5
62.81048	1.0
67.68576	1.0
69.03319	1.4
79.75284	1.0
81.03325	2.2
83.01236	3.1
93.03320	2.9
95.01231	1.9
95.04914	1.6
97.02820	4.0
109.02834	12.7
111.04395	2.7
121.02821	2.5
123.00794	4.7
124.01559	4.2
125.02335	64.8
125.44137	1.1
126.02674	2.7
134.68719	1.1
135.04424	1.1
137.02348	26.7
138.03017	1.1
139.03909	13.8
140.04233	0.9
151.03914	2.0
161.02324	2.1
163.03690	0.9
164.01080	5.2
165.01836	15.6
166.02583	1.9
167.03398	16.1
168.03642	1.2
175.03937	1.8
177.01785	1.4
177.05466	3.6
179.03412	12.9
181.05002	1.1
191.07053	1.5
203.03418	2.2
204.04201	3.0
219.06549	11.0
221.04498	3.3
243.06517	1.0
261.07715	3.5
287.05453	1.2
305.06656	100.0
306.07004	10.1
465.37711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71965	1.2
59.01250	2.6
62.48499	1.4
65.00217	1.3
69.49747	3.3
69.50152	4.8
70.51989	1.3
71.01257	3.5
72.99175	2.8
85.02824	3.7
87.00800	1.2
93.03331	73.3
94.03690	1.3
95.01303	2.8
96.95890	1.2
98.20527	2.3
99.00759	2.3
101.02314	2.4
107.01300	1.4
109.02837	1.5
113.02338	2.6
121.02827	1.5
123.00764	23.9
123.04319	2.7
125.02374	2.4
135.04442	6.4
137.02341	100.0
138.03146	25.9
151.00244	9.2
153.01862	1.5
153.05475	17.3
154.05817	1.2
160.72629	1.2
166.99771	18.7
167.03365	1.6
169.34702	1.3
179.03337	1.1
182.02119	56.0
182.03743	3.0
183.02556	2.9
196.03706	1.6
197.04483	71.5
198.04825	3.3
203.85492	1.5
220.53836	1.2
223.12115	1.4
273.04059	6.4
287.05597	8.1
288.05780	1.3
302.01511	1.3
317.22815	1.3
449.10870	7.7
473.12973	78.3
474.13300	7.7
485.14136	1.4
491.14020	4.3
536.42401	1.4
611.16174	24.8
612.16272	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	609.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97299	0.9
54.96946	1.0
55.01755	2.1
57.03310	1.2
58.00457	1.8
59.01254	28.8
61.98697	4.9
69.89317	1.1
71.01251	25.5
71.52895	1.4
71.53305	1.5
72.99184	1.7
73.02828	3.8
75.00749	1.3
79.95601	2.5
80.96382	1.4
83.01270	3.8
83.14854	1.0
85.02821	10.5
87.00758	2.8
88.98687	3.9
89.02315	9.7
89.73772	0.9
95.01247	1.9
96.95885	1.0
97.02779	0.9
99.00761	1.8
101.02319	16.4
105.77853	1.2
111.00736	1.3
113.02326	6.7
119.03408	2.7
119.04903	1.6
125.02301	3.5
125.68643	1.0
128.03423	1.2
129.01801	1.1
134.03647	1.5
135.04372	2.2
137.02341	1.4
148.92714	1.1
149.02342	1.0
153.01823	1.3
161.02367	1.6
163.03885	1.2
164.04724	2.5
175.03931	1.4
177.01923	1.4
211.13358	3.0
218.01459	1.1
223.06079	1.3
243.03008	1.1
255.02946	2.1
271.02438	6.1
272.03110	1.3
285.04053	4.1
285.20724	2.1
300.02847	9.3
301.03439	4.6
325.26349	1.2
327.85004	1.0
328.33606	1.1
397.13641	1.3
429.24936	2.1
431.07697	1.8
447.09891	2.3
447.25906	18.9
448.26077	2.6
505.33810	4.3
609.16479	14.0
609.31317	100.0
610.15503	4.3
610.31702	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	609.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97299	0.9
54.96946	1.0
55.01755	2.1
57.03310	1.2
58.00457	1.8
59.01254	28.8
61.98697	4.9
69.89317	1.1
71.01251	25.5
71.52895	1.4
71.53305	1.5
72.99184	1.7
73.02828	3.8
75.00749	1.3
79.95601	2.5
80.96382	1.4
83.01270	3.8
83.14854	1.0
85.02821	10.5
87.00758	2.8
88.98687	3.9
89.02315	9.7
89.73772	0.9
95.01247	1.9
96.95885	1.0
97.02779	0.9
99.00761	1.8
101.02319	16.4
105.77853	1.2
111.00736	1.3
113.02326	6.7
119.03408	2.7
119.04903	1.6
125.02301	3.5
125.68643	1.0
128.03423	1.2
129.01801	1.1
134.03647	1.5
135.04372	2.2
137.02341	1.4
148.92714	1.1
149.02342	1.0
153.01823	1.3
161.02367	1.6
163.03885	1.2
164.04724	2.5
175.03931	1.4
177.01923	1.4
211.13358	3.0
218.01459	1.1
223.06079	1.3
243.03008	1.1
255.02946	2.1
271.02438	6.1
272.03110	1.3
285.04053	4.1
285.20724	2.1
300.02847	9.3
301.03439	4.6
325.26349	1.2
327.85004	1.0
328.33606	1.1
397.13641	1.3
429.24936	2.1
431.07697	1.8
447.09891	2.3
447.25906	18.9
448.26077	2.6
505.33810	4.3
609.16479	14.0
609.31317	100.0
610.15503	4.3
610.31702	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	609.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23813	0.5
59.01234	1.3
61.98695	1.5
63.96098	1.8
64.85046	0.5
69.86727	2.5
71.01250	6.5
72.99146	0.7
73.02803	1.2
78.98458	6.1
79.95602	8.5
80.96387	63.1
81.03316	0.6
83.01258	0.7
85.02837	2.9
87.00737	3.2
94.97956	15.6
96.95885	0.8
97.02813	1.2
101.02336	2.9
106.97971	2.8
113.02316	0.7
119.04873	1.8
122.97460	5.1
125.02352	3.3
127.03841	1.0
130.52733	0.6
134.97470	5.3
136.99023	2.3
148.99049	5.8
152.98518	5.6
163.03845	0.6
164.98535	11.2
182.99619	1.9
197.11736	1.2
206.99695	2.6
225.00690	17.6
226.01027	0.9
243.01703	1.0
299.04388	2.9
309.04178	0.7
309.44400	0.6
445.09097	1.9
472.40656	0.5
599.03693	0.6
609.25781	100.0
610.16138	1.0
610.26117	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	609.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	92.9
64.22700	6.0
69.27576	53.4
71.01257	53.8
83.02938	6.2
85.02824	16.6
89.02330	46.0
101.02307	24.1
113.02304	20.4
119.03364	15.9
121.02834	6.9
137.02301	6.5
151.00235	17.4
161.04453	7.1
165.01746	6.8
178.99736	12.2
179.05544	9.7
227.03383	9.9
243.02905	9.5
255.02985	18.6
271.02423	43.2
281.46152	6.6
291.40646	7.7
299.37000	8.0
300.02777	85.6
301.03271	32.1
327.05170	8.2
549.25555	100.0
550.25323	19.2
598.33917	7.4
609.14532	71.2
610.14703	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01240	1.3
61.98701	10.8
63.96095	1.1
69.03311	0.8
69.37457	0.3
70.54659	0.6
70.54996	0.8
71.01249	7.1
71.76860	0.3
73.02814	1.6
74.84631	0.4
78.95769	1.8
78.98457	4.8
79.95602	10.9
80.96385	63.2
81.03333	0.8
83.01226	0.6
85.02827	2.9
87.00735	2.9
94.97956	14.7
95.01279	0.5
96.95872	1.2
97.02825	1.1
99.00748	0.6
99.69524	0.3
101.02324	2.5
106.97974	2.8
113.02349	0.7
117.45515	0.3
119.04973	0.4
122.97461	3.0
125.02332	2.9
127.03871	1.0
129.77582	0.4
134.97495	4.5
136.99011	1.4
148.99039	5.6
152.98520	5.1
152.99551	1.7
164.98534	10.6
167.00133	0.6
197.11766	1.0
206.99649	2.6
209.15442	0.9
225.00691	15.0
226.00954	0.6
241.01195	0.4
270.44324	0.3
293.21271	0.6
299.04395	2.9
300.02310	0.4
311.22366	0.4
463.53711	0.4
511.18698	0.4
609.25793	100.0
610.16266	0.8
610.26141	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	609.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.5
61.19428	0.3
61.98701	7.4
63.96118	1.3
68.51019	0.3
69.03312	0.4
69.47584	0.6
69.47990	1.5
71.01254	7.5
72.99168	0.4
73.02802	1.7
78.98462	5.9
79.95231	0.2
79.95609	10.9
80.96391	67.2
81.03324	0.9
83.01231	0.4
85.02826	3.5
87.00743	3.0
89.02302	0.5
94.97964	14.0
95.01286	0.4
96.95890	1.8
97.02834	1.4
99.00756	0.6
99.04411	0.4
101.02331	2.3
106.97979	2.4
113.02279	0.3
119.04929	0.8
122.97466	2.8
125.02338	3.5
127.03920	0.7
134.97482	4.7
136.99043	1.5
137.02338	0.4
143.71033	0.3
146.97470	0.5
148.99046	5.2
152.98514	5.2
152.99640	0.5
155.40489	0.3
158.63794	0.4
163.03964	0.4
164.98541	10.1
167.00031	0.4
168.92221	0.4
197.11760	1.0
205.03477	0.3
206.99622	2.7
211.13351	0.9
225.00688	14.4
226.01018	0.6
255.02940	0.5
271.02399	1.1
299.04562	2.6
300.02835	1.0
301.03482	0.5
317.05298	0.4
373.24518	0.4
445.09518	0.5
445.53305	0.4
511.18765	0.5
542.94727	0.4
609.25818	100.0
610.16510	0.6
610.26154	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	609.1459
Annotation	Rutine
Peak:m/z	Relative Intensity
52.24914	0.8
59.99832	0.7
69.42274	0.8
71.01263	1.3
77.11414	0.9
79.01746	0.8
85.02836	3.4
109.02838	1.0
109.87042	0.9
121.02840	1.6
125.02316	1.9
133.02837	9.5
135.04477	1.0
147.04382	1.3
148.38802	0.8
149.02316	1.1
151.00218	1.1
163.00281	1.7
163.03900	3.0
165.01833	1.7
175.03914	3.3
177.01845	1.1
191.03374	1.5
193.01221	1.6
199.04025	1.0
213.05334	1.0
225.05565	1.1
229.04877	1.3
240.04282	0.9
241.04959	1.0
250.72362	0.9
269.04507	1.2
284.03220	8.9
285.03970	9.1
287.55795	0.9
297.04019	16.6
298.04791	18.9
299.05600	18.4
300.06049	2.0
311.05801	1.8
312.98105	1.0
313.03714	1.6
325.03412	1.2
327.05072	100.0
328.05359	9.7
339.05069	2.8
357.06149	27.1
358.06494	2.7
369.06195	3.0
393.06247	1.6
447.09293	76.1
448.09695	9.6
454.01093	1.1
489.10440	15.3
490.10803	2.3
519.11401	3.1
609.14685	16.8
610.14691	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36348	0.4
58.89273	0.4
59.01224	0.9
63.02265	0.9
65.00198	0.6
69.45507	0.8
69.45914	2.5
75.00748	7.4
78.36758	0.4
85.02815	2.7
87.22477	0.4
89.02316	0.5
98.04721	0.4
98.19894	0.9
101.02311	0.4
107.01257	1.3
109.02859	0.8
111.00771	0.7
121.02807	0.4
125.02320	1.3
133.02890	2.6
133.23769	0.4
147.02934	0.4
149.02361	1.3
151.00282	3.1
175.03914	1.4
177.01872	0.7
179.05441	0.4
191.01945	1.3
199.03938	0.6
201.02016	0.5
209.03035	0.6
211.03906	0.7
215.03479	0.5
217.05136	0.9
241.05151	0.7
243.03011	0.7
255.03030	2.2
256.03757	2.2
271.02490	0.8
284.03259	41.6
285.04022	91.4
286.04349	7.3
297.04041	1.0
298.04788	0.5
299.05457	0.6
300.02701	0.5
301.03491	0.7
327.05084	3.6
357.05966	0.5
447.09296	100.0
448.09613	13.0
592.18396	0.4
609.14642	8.1
610.14893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02265	0.6
65.00188	1.5
76.62014	0.5
81.93910	0.5
83.01262	0.6
85.57327	0.5
107.01249	3.4
108.02079	1.1
109.02826	1.6
119.01188	0.5
121.02843	1.8
135.00751	0.6
148.01602	1.9
151.00273	11.4
152.00793	0.6
159.04396	0.6
163.00262	2.0
164.01019	1.0
169.01312	0.6
178.99788	5.2
187.03833	0.5
191.03624	0.7
199.03966	0.9
203.03372	0.8
211.03893	0.7
215.03465	1.0
226.02750	1.7
227.03419	3.4
228.03999	0.8
229.04848	0.6
243.02965	12.3
244.03368	1.2
245.04503	1.1
254.02269	1.8
255.02963	26.9
256.03302	1.8
271.02472	59.0
272.02896	5.9
273.03955	1.0
283.02533	1.4
299.01907	2.0
300.02737	86.2
301.03445	40.9
302.03906	3.6
343.04401	0.8
609.14600	100.0
610.14905	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57800	0.3
59.01250	0.5
63.02273	0.6
64.71558	0.3
65.00191	0.8
71.10750	0.5
83.01261	0.5
84.43105	0.3
85.02845	0.3
85.77930	0.3
94.10888	0.3
107.01266	1.1
108.02058	1.2
114.93697	0.3
121.02849	1.0
124.01531	0.4
125.02284	0.4
133.02856	1.1
135.00778	0.5
148.01561	1.6
149.02324	0.4
151.00273	5.1
152.00943	0.3
163.00279	0.6
164.00993	0.9
169.01286	0.4
174.03197	0.3
175.03967	0.3
178.99756	3.2
179.03362	0.3
183.04320	0.3
192.00415	0.5
198.03127	0.4
199.03955	1.3
201.01756	0.4
203.03477	0.4
203.28726	0.3
211.03842	0.5
215.03447	0.9
216.04111	0.5
217.04987	0.4
226.02643	1.3
227.03474	2.6
243.02959	10.6
244.03365	1.1
254.02232	1.7
255.02971	24.7
256.03439	2.6
260.81351	0.3
271.02469	53.5
272.02917	6.4
273.03635	0.5
283.02429	1.0
284.03271	7.9
285.04034	32.3
286.04385	2.2
299.02094	2.1
300.02734	100.0
301.03244	13.4
302.03574	0.6
327.05133	0.5
445.07620	0.5
446.08710	0.4
447.09277	25.6
448.09540	3.5
463.09299	0.7
465.09399	1.1
489.10175	0.5
548.32837	0.3
609.14600	58.8
610.14899	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	608.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
61.98703	100.0
64.95219	0.2
65.01424	0.2
69.54900	0.2
70.09689	0.9
71.01256	0.7
78.95785	1.0
78.98491	0.4
79.95607	0.6
80.96392	3.6
81.03365	0.2
94.97976	0.9
101.02316	0.3
113.41479	0.2
119.04935	0.9
125.02316	0.3
148.99016	0.5
152.98497	0.3
152.99535	1.1
159.04512	0.3
163.03941	0.4
164.98537	0.7
213.58972	0.3
219.13853	0.3
225.00858	0.6
228.58481	0.2
241.01122	0.4
283.17929	0.2
293.21454	0.3
300.02722	0.5
322.05127	0.3
441.34045	0.2
445.09445	0.5
500.29526	0.2
608.24133	1.7
609.15002	0.8
609.25775	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	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62104	0.2
50.98201	0.2
51.57870	0.3
59.01245	0.5
61.98701	100.0
66.26073	0.2
71.01260	0.8
71.53275	0.3
78.98467	0.3
79.95615	0.8
80.96386	3.5
85.02839	0.4
94.97956	0.9
97.02837	0.3
101.02341	0.5
104.25037	0.3
113.02390	0.3
119.04935	0.8
125.02368	0.5
134.97531	0.3
161.02371	0.5
163.03951	0.3
164.98590	0.4
200.73196	0.3
209.11803	0.4
211.13434	0.7
225.00783	0.8
255.03030	0.4
271.02487	0.5
285.04025	0.3
289.07065	0.3
300.02759	1.0
334.73630	0.3
427.88702	0.3
445.09399	1.1
608.24042	1.3
609.14789	0.9
609.26111	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03312	0.8
59.01243	2.3
61.98701	37.5
63.96092	1.0
64.26234	0.5
69.03345	0.9
71.01247	8.1
73.02824	1.8
74.94904	0.7
78.95776	1.8
78.98454	7.3
79.95604	15.8
80.96389	74.8
81.03326	0.8
83.01269	0.7
83.18703	0.7
85.02807	3.1
87.00748	3.0
87.59866	0.6
88.98701	0.8
94.97961	15.7
96.95899	1.5
97.02834	1.7
99.00769	1.1
101.02311	2.2
106.97967	2.8
108.67429	0.6
112.64089	0.6
117.03370	1.3
119.04903	2.3
121.02864	0.8
122.97465	2.9
125.02318	3.1
134.48958	0.6
134.97479	5.2
135.04388	1.0
136.99030	1.6
145.02843	1.8
146.01347	0.6
148.99036	6.1
152.98517	5.1
152.99443	0.9
163.03920	1.7
164.98549	11.4
177.05496	0.7
199.97121	0.7
206.99620	2.6
209.11646	1.1
225.00681	12.5
226.01114	0.7
291.19528	0.9
296.03366	0.7
299.04413	2.3
369.09772	0.7
371.06094	0.6
387.10818	1.0
427.12936	1.0
509.17206	0.8
529.13416	0.8
607.24286	100.0
608.24597	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	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44874	0.2
58.26084	0.2
59.01250	1.7
59.07100	0.2
61.98703	1.0
62.39115	0.2
63.02281	0.2
65.00198	1.6
69.03323	0.3
69.07952	0.2
70.86151	0.4
71.01250	1.7
72.99187	0.2
73.02806	0.3
73.89240	0.2
75.94968	0.2
78.95783	0.2
78.98471	0.3
79.95594	0.8
80.96391	2.9
83.01257	0.3
85.02824	0.6
85.30638	0.2
87.00761	0.2
88.57823	0.2
89.02322	0.5
91.01765	8.8
92.02100	0.4
93.03300	0.3
94.97962	0.7
95.01279	0.6
96.95890	0.2
97.02808	0.3
99.00778	0.4
101.02329	0.7
106.97957	0.2
108.02049	3.1
109.02846	0.6
111.00751	1.3
113.02329	0.3
121.02890	0.2
122.97466	0.3
123.00826	0.9
123.04405	29.7
124.01573	1.2
124.04763	0.8
125.02340	0.6
134.97487	0.3
137.02357	0.4
139.00273	0.4
148.05205	2.3
148.98961	0.2
149.02347	0.2
152.01071	3.0
159.10205	0.4
160.10591	0.2
161.04488	0.2
163.03871	0.2
163.07587	0.8
164.98581	0.5
167.03407	100.0
168.03751	4.2
181.71346	0.2
209.04665	0.2
209.11752	0.6
210.12030	0.2
225.00708	0.5
244.85780	0.2
280.08252	0.2
285.03714	0.2
421.80243	0.2
443.11926	2.6
444.12512	0.3
514.82916	0.2
607.13226	0.3
607.24530	4.2
608.24304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29403	0.3
59.01267	0.4
63.62571	0.4
65.00190	0.7
66.82651	0.3
71.33376	0.4
72.46265	0.4
91.01746	0.4
98.14221	0.3
107.01263	2.5
108.02048	1.0
109.02847	1.3
111.66094	0.3
121.02820	1.5
125.02287	0.4
135.00752	0.6
139.10750	0.3
148.01555	0.9
149.02342	0.5
151.00269	10.1
152.00780	0.5
163.00278	1.9
164.01103	0.5
169.01338	0.5
175.31104	0.3
178.99779	5.0
185.02269	0.4
187.03943	0.4
190.99709	0.5
199.03874	0.9
203.03378	0.4
211.03966	0.5
215.03413	0.4
226.02646	0.8
227.03516	2.0
243.02950	7.3
244.03531	0.5
245.04503	1.3
254.02165	1.8
255.00238	0.6
255.02957	17.9
256.03363	1.9
271.02460	36.9
272.02866	4.0
273.04022	0.9
283.02478	1.5
299.01993	1.2
300.02728	71.6
301.03455	43.3
302.03784	2.9
343.04630	0.4
463.08792	100.0
464.09116	15.2
491.08063	0.9
607.13422	1.3
616.97717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
60.99174	16.0
61.95510	0.5
61.98689	1.7
71.52999	0.5
78.95774	9.1
79.34338	0.5
80.96366	0.9
87.00741	1.4
88.00278	2.8
88.98675	100.0
89.02315	16.8
89.02754	0.3
89.98996	0.8
96.96817	1.8
98.34418	0.5
134.04596	1.6
152.99448	1.5
163.69759	0.7
167.14177	0.5
277.21680	4.0
278.22015	0.6
346.05627	5.1
399.44031	0.6
409.29361	0.7
431.21945	0.8
458.38535	0.5
502.29575	1.0
518.99017	0.5
607.27765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64092	0.9
56.16906	0.7
64.67847	0.8
71.53562	1.3
75.33209	0.9
76.56632	0.8
78.95774	0.9
79.04755	0.9
84.93811	0.8
107.07143	0.8
147.67747	0.8
153.50076	0.8
216.52261	0.9
254.40454	0.8
316.96783	0.9
429.17349	1.4
430.17838	2.4
433.00076	1.1
443.19125	1.1
457.20428	2.2
458.21118	1.2
459.17755	2.2
461.23523	1.0
469.19876	1.1
471.17767	1.1
473.19714	5.6
474.20056	1.3
485.18524	1.1
485.23962	1.2
486.20407	4.6
487.21036	1.9
496.18973	1.0
499.17465	2.3
501.23123	1.8
502.20844	1.0
511.21414	2.7
513.19214	2.5
514.20056	9.5
515.20276	1.5
517.19055	1.1
518.19550	1.9
529.22443	100.0
530.22778	19.2
532.21332	1.3
533.22046	2.8
605.24829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91349	8.7
59.01248	44.3
61.98695	31.3
68.11733	9.9
71.01234	25.4
71.53239	12.9
75.17144	10.0
101.02308	19.2
111.08028	19.5
113.02314	13.9
117.03353	15.9
119.04936	22.6
121.02794	10.4
125.02361	22.6
145.02853	24.5
149.02243	9.8
151.03851	9.0
163.03860	20.0
169.12180	11.7
197.11769	99.5
199.13306	10.8
211.13322	13.9
253.09290	61.0
291.19666	32.0
309.20654	100.0
310.20905	15.9
395.47977	10.6
505.33597	15.0
561.32544	18.7
605.23126	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98698	37.7
64.76884	14.5
70.09859	64.7
71.01254	56.3
77.94764	15.3
78.95760	19.9
79.95612	22.8
80.96401	40.0
97.02811	18.7
101.02324	38.1
117.03349	29.1
119.04922	34.3
121.02850	21.3
125.02306	46.5
135.04419	17.9
136.04689	16.7
149.02368	17.6
153.01891	16.0
161.02361	22.7
163.03825	20.1
197.11772	68.3
213.90178	18.0
217.10567	17.2
238.77618	23.2
250.99425	18.2
253.09338	47.4
291.08667	20.0
291.19589	27.4
309.20584	81.1
561.32727	29.8
605.22809	52.9
620.14117	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	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
61.98703	100.0
70.31424	0.6
71.01259	1.4
78.95789	0.6
78.98479	0.6
79.95605	2.3
80.96391	10.2
80.96847	0.6
88.98662	0.4
89.35960	0.3
91.33011	0.4
91.95106	0.3
94.97956	2.8
94.98385	0.3
96.95915	0.4
97.92771	0.3
101.02325	0.5
106.98013	0.6
117.03393	0.3
119.04932	1.2
121.26898	0.4
122.97508	0.5
125.02354	0.6
134.97485	0.8
145.02896	1.0
148.99075	1.1
151.26895	0.3
152.97348	0.3
152.98587	0.9
158.32021	0.3
161.36368	0.3
163.04008	0.9
164.98567	1.8
186.26968	0.3
186.28670	0.3
194.16237	0.3
206.59459	0.4
209.11743	0.4
211.13539	0.3
225.00684	2.2
254.87196	0.4
299.04599	0.5
342.19174	0.4
371.22104	0.5
380.33517	0.3
389.23450	0.3
607.24347	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	605.1513
Annotation	CHEBI:68877
Peak:m/z	Relative Intensity
50.23389	0.4
55.01740	0.5
55.85369	0.5
57.03322	4.7
59.01248	1.8
61.98669	0.6
69.03322	16.5
70.03681	0.7
71.01270	1.1
71.01708	0.8
73.02833	0.7
75.57460	0.5
85.02834	1.5
93.03347	0.7
95.01284	1.0
95.04976	0.5
97.02818	3.6
99.00739	3.2
99.04395	4.2
101.02328	1.6
106.48537	0.5
107.01279	0.8
115.91967	0.7
117.03371	1.2
119.04889	0.5
120.99537	0.9
121.02837	0.6
123.00793	0.4
123.04449	0.6
123.43865	0.5
125.02345	1.2
129.40942	0.5
133.02878	0.9
134.03700	1.1
135.04425	1.1
137.02339	1.6
141.01823	1.9
147.04414	1.0
149.02368	1.8
151.00276	2.7
153.01843	0.6
154.51178	0.5
157.06677	0.6
159.04395	0.9
161.02364	1.0
161.04439	6.2
163.00337	0.7
164.04745	0.7
165.01883	0.8
165.05647	0.6
167.04871	0.7
169.06598	0.7
173.06116	0.6
175.03932	0.7
179.03407	0.7
183.04425	3.0
185.00838	12.3
185.02451	0.9
185.06046	0.6
187.03995	0.6
189.05559	0.6
191.03407	1.1
197.87053	0.5
201.05467	0.6
201.83260	0.5
211.03902	1.7
213.05640	0.5
215.77083	0.5
223.06088	1.1
227.03482	3.2
229.05025	2.0
241.04942	0.6
246.79529	0.5
255.02969	44.5
256.03366	3.9
257.04474	2.8
260.50610	0.5
263.07663	0.7
270.88153	0.5
272.61472	0.5
282.01724	0.5
283.02466	100.0
284.02902	10.8
285.04037	16.1
286.04367	2.2
297.04041	3.5
298.04791	19.4
299.05276	1.8
309.03937	1.4
312.09857	0.5
313.07205	4.2
326.04282	2.7
327.04932	1.1
341.06625	39.6
342.07016	3.9
353.06595	1.4
354.06757	0.6
355.01068	1.5
371.07703	8.8
428.07419	1.2
430.09015	42.6
431.09677	13.5
432.10068	1.0
443.09625	1.4
444.09769	0.6
459.09305	5.4
460.09305	0.9
461.10950	6.9
462.11209	0.8
503.12143	2.8
543.14771	0.8
605.06317	2.9
605.14996	44.9
606.06470	0.9
606.15393	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	605.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02258	0.6
55.01754	3.0
59.01249	1.1
59.12695	0.4
67.01771	0.6
69.03327	100.0
70.03675	1.2
70.67250	0.6
70.67551	0.5
71.01257	1.6
72.99192	2.3
78.50240	0.4
79.01775	1.3
83.01303	0.5
85.02822	1.8
95.01260	2.8
95.87048	0.5
96.95901	0.4
97.02831	21.1
99.00758	26.0
109.02866	0.4
113.02353	0.6
122.03610	0.5
123.00767	1.6
125.02324	0.7
135.04446	0.5
137.02342	1.1
141.01845	6.7
149.02318	1.4
150.03111	0.9
151.00366	0.4
153.01816	0.9
159.36870	0.4
164.04683	1.0
165.01900	0.4
165.05486	1.7
185.00839	69.0
186.01250	2.5
195.06464	1.3
208.03703	1.2
223.06102	2.8
285.03983	1.9
582.90912	0.5
605.15381	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.2
60.45118	1.5
60.99164	6.4
77.13463	1.6
78.95787	8.2
87.00745	4.5
88.00276	11.4
88.01107	1.6
88.98679	41.8
89.02315	100.0
94.84117	1.5
96.95890	7.1
96.96776	1.6
98.19775	4.0
111.54270	1.3
126.00984	1.7
128.54979	1.3
152.99496	5.6
171.10139	3.5
229.93848	1.8
277.21823	2.2
295.22729	2.0
310.61545	1.5
469.00726	1.6
603.38898	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	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48486	1.0
59.01247	4.4
60.99174	9.0
61.98697	5.3
62.85301	1.0
66.60324	1.0
69.68671	1.0
71.01269	2.0
71.53057	1.1
86.52557	1.1
88.98679	54.3
91.46402	1.0
92.36633	1.0
109.02840	1.5
121.02862	1.3
125.02274	1.4
125.09617	5.2
133.02853	9.5
133.06474	1.2
135.04390	1.2
157.67014	1.2
175.03972	1.6
187.09694	2.2
199.13347	3.7
217.08739	1.1
261.07764	1.2
282.05542	1.3
297.03955	3.8
298.04782	3.9
309.04050	7.3
311.05560	4.3
312.06177	2.3
314.86420	1.0
315.04758	1.2
323.05594	8.0
339.05002	2.1
344.04846	1.4
353.10297	4.7
354.10077	1.4
365.10248	10.1
366.10681	2.1
367.11780	7.2
395.11334	100.0
396.11655	12.2
407.11130	2.9
425.12390	22.1
458.26242	1.1
515.15582	62.1
516.15826	12.4
605.22681	1.8
605.31744	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.4
60.99165	3.0
79.64799	0.7
87.00753	7.3
88.00275	6.6
88.98671	13.2
89.02315	100.0
90.02643	1.9
176.52734	0.6
211.82942	0.7
236.08519	0.7
277.21640	1.3
338.98560	0.8
393.25232	0.7
413.51389	0.7
603.20135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.9
57.03316	8.1
58.00453	2.0
59.01249	97.6
61.98695	6.6
63.53795	2.1
69.03326	3.9
69.55990	12.0
71.01249	53.3
72.99178	2.3
73.02831	12.3
78.95753	2.4
82.23833	2.2
83.01265	12.2
85.02820	46.6
85.81638	1.8
86.36473	1.8
87.00747	4.1
89.02323	12.5
95.01284	5.0
97.02823	4.3
99.00753	5.9
101.02319	36.8
111.00719	1.9
113.02320	25.8
119.03410	4.2
119.04908	2.2
124.01522	14.9
125.02340	29.1
137.02330	2.4
143.03406	9.3
151.00259	2.2
157.08566	5.4
161.04425	14.3
179.05440	2.5
207.17534	3.0
209.11812	7.4
237.18480	10.4
239.95149	2.2
285.03885	2.5
313.28738	2.1
345.20755	2.6
381.22720	4.5
399.23907	11.5
517.30347	3.5
543.28076	8.9
559.31183	100.0
560.31506	16.2
561.29132	25.6
562.29565	3.1
603.30249	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27500	0.6
55.01765	2.4
57.03324	3.7
58.00468	1.7
58.84618	0.5
59.01249	100.0
60.01590	0.5
67.01755	0.5
67.45567	0.4
69.03329	1.5
71.01251	55.8
71.33408	0.7
72.01582	0.6
72.53921	0.5
72.99179	3.0
73.02818	12.5
73.55819	0.5
75.00756	0.8
78.27588	0.5
81.03325	0.6
83.01250	7.3
85.02821	28.0
85.99973	1.2
86.03161	0.7
87.00745	4.2
89.02314	15.6
95.01264	5.4
97.02835	2.9
99.00749	6.7
101.02320	32.1
102.02663	0.9
109.02869	0.5
111.00748	2.8
112.01479	0.7
113.02325	29.9
114.02638	0.9
115.03859	0.5
119.03389	8.0
124.01589	2.6
125.02338	4.1
129.01857	2.7
131.03406	0.6
134.03632	0.5
139.00293	0.8
142.02631	0.7
143.03403	5.4
149.04495	1.0
151.00247	0.8
151.75079	0.5
152.71213	0.5
159.02890	2.8
161.04451	10.3
179.05530	2.4
187.56633	0.5
209.11752	0.5
285.03870	0.8
349.57739	0.5
381.22772	5.0
399.23807	12.5
400.24124	1.3
441.25220	0.5
469.24149	0.7
479.26340	0.9
507.26028	0.9
543.28070	68.0
544.28387	9.2
561.29132	63.6
562.29486	10.8
603.07922	0.7
603.30298	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72911	1.4
57.03339	2.4
59.01245	45.1
60.01549	1.5
61.98699	4.5
71.01252	10.3
72.37598	1.4
75.00758	2.2
81.03289	1.8
83.01245	4.2
85.02853	1.9
87.00762	2.1
89.02315	9.6
95.04899	2.1
96.95889	1.9
97.02808	3.4
97.06509	4.0
101.02348	8.6
113.02327	6.1
116.02937	1.3
117.03345	2.4
119.03408	2.6
119.04896	2.5
123.04408	3.3
123.08084	1.9
125.09624	8.0
132.02107	1.8
135.08043	1.8
137.09612	4.2
145.02841	9.3
160.01570	4.6
161.04468	4.9
161.09593	1.8
162.03101	2.3
163.03954	2.9
163.11191	9.6
165.12801	2.1
171.10236	2.4
175.03812	3.7
177.05493	2.0
185.11728	6.6
191.14377	7.3
207.10220	4.9
209.11761	28.0
210.12215	2.1
211.13451	1.9
225.11284	2.3
229.64006	1.9
237.11357	3.5
245.19043	18.3
253.09242	39.5
254.09782	1.6
263.20160	5.2
289.18088	100.0
290.18494	11.2
307.19116	86.3
308.19504	10.9
338.70068	1.7
351.08759	2.3
543.28217	3.7
574.14612	2.1
574.23352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.4
59.01249	13.1
61.98709	7.5
65.00189	5.5
71.01261	7.9
71.53731	1.9
73.02808	2.0
73.35883	1.5
78.33281	1.7
83.01244	3.7
85.02818	6.5
89.02309	4.9
93.03333	2.3
96.95891	1.5
97.02837	1.7
101.02311	5.8
107.01279	3.1
108.02087	1.5
109.02833	3.8
112.74121	1.6
113.02327	4.4
119.04876	1.6
121.02777	3.0
123.00797	1.7
124.01508	4.7
125.02313	3.1
133.02827	2.3
133.06494	12.2
134.03694	2.4
135.04413	94.1
136.01527	1.8
136.04732	4.4
137.02371	2.0
143.03394	2.4
149.02386	3.2
149.09616	2.4
151.00279	3.5
161.02309	6.0
161.04469	3.1
163.00259	2.9
163.03915	1.8
164.01035	6.5
173.04478	2.7
175.03828	1.5
176.01033	1.5
177.09042	2.0
183.15851	1.5
190.02589	2.2
192.00572	9.9
193.01328	2.3
193.04881	1.7
193.08633	4.7
205.08618	3.7
209.11775	1.7
217.08603	6.0
219.06558	11.0
222.01633	1.7
223.05997	1.7
231.06499	2.4
233.08148	5.3
235.09628	4.5
261.05093	2.9
261.07663	36.8
262.08188	3.4
268.93646	1.6
291.08762	8.1
305.04599	5.8
313.03387	1.8
317.04413	2.3
332.24576	1.5
333.03821	2.6
334.04822	2.0
335.05457	3.8
350.25507	1.6
355.11832	3.3
355.24774	3.3
377.02744	2.2
379.04581	2.9
379.10669	1.8
395.04016	11.2
396.04495	3.4
397.05231	4.4
397.12906	100.0
398.13449	13.1
417.49750	1.7
427.13898	20.6
428.14322	4.2
439.13852	2.8
474.34030	1.9
517.16797	1.8
559.17773	3.4
603.08661	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	601.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61160	0.4
59.01240	1.1
61.98703	0.4
66.76923	0.4
71.01252	0.5
71.52859	0.5
87.00750	100.0
88.00274	12.5
88.01076	1.7
88.03896	0.7
89.02304	0.5
113.02312	0.5
139.84172	0.3
141.59706	0.3
171.10020	0.4
277.21716	5.8
278.22076	1.1
323.09799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03315	10.8
59.01253	59.0
61.98709	3.7
65.00190	6.0
68.99684	2.7
69.03327	2.8
71.01254	41.1
72.99193	2.5
73.02819	8.9
78.95755	1.5
81.03331	1.9
81.06973	1.5
83.01264	17.4
85.02824	35.2
87.00739	5.7
87.04375	2.3
89.02318	13.0
95.01271	4.6
97.02796	4.0
98.19762	3.7
99.00760	4.6
101.02319	30.9
107.01257	4.9
109.02841	5.1
111.00797	2.0
113.02334	19.6
114.65827	1.5
117.03359	2.6
119.03380	5.5
119.04896	1.6
124.01553	16.6
125.02338	100.0
125.09559	2.4
126.02655	3.5
133.02834	1.5
133.06499	6.0
135.04407	34.6
139.03889	4.0
143.03412	12.7
145.02838	6.1
149.02342	9.3
149.13251	1.9
151.00282	17.8
153.01842	52.8
154.02112	2.3
159.02855	2.7
160.01593	2.5
160.42488	1.5
161.02292	2.9
161.04466	20.1
164.01083	2.4
167.03351	1.5
171.10162	5.1
175.03860	3.7
178.99738	2.4
179.05542	5.8
187.09679	1.6
192.00558	3.3
193.08600	3.4
202.09912	1.5
207.02988	1.9
211.13380	1.9
219.06514	2.5
219.17343	2.4
227.07092	2.1
228.07887	5.7
235.08084	2.7
237.18590	17.3
243.10237	8.9
261.07617	14.5
261.10358	1.9
262.08435	1.6
291.08829	2.9
352.07269	1.4
363.14606	2.3
367.94116	1.7
397.12903	33.6
398.13348	3.3
399.23856	5.0
405.15414	6.4
427.13843	9.3
441.24866	2.3
531.18665	9.8
543.27985	3.6
561.29260	21.4
562.29578	4.4
603.30280	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	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15636	0.9
57.03316	1.6
58.00471	2.9
59.01251	58.7
61.98689	2.2
69.52502	6.4
71.01254	54.1
72.99176	5.0
73.02816	2.7
78.95773	1.3
83.01252	5.4
85.02818	10.6
87.00759	15.6
89.02316	56.4
90.02660	1.3
95.01282	3.4
97.02814	1.5
98.20555	1.1
101.02322	26.7
113.01550	1.2
113.02325	24.9
113.03066	1.6
119.03391	21.5
125.02322	1.5
129.01837	1.5
131.03404	3.5
141.01830	1.0
143.03391	6.8
149.04518	2.3
161.04459	9.1
162.96957	0.9
179.05531	20.2
187.76108	1.0
273.21906	1.3
277.21732	100.0
278.22061	11.3
291.23401	6.5
301.21762	1.1
319.22849	2.7
323.09879	11.9
341.10886	44.9
342.11374	2.4
426.59769	1.0
601.33307	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	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32971	1.0
55.01770	1.2
55.52449	1.1
57.03315	2.6
58.00465	2.3
59.01252	41.9
61.98697	1.9
69.03326	2.3
71.01254	50.9
72.99178	3.3
73.02839	12.2
75.00755	1.9
83.01256	13.2
85.02831	12.8
87.00751	60.5
87.17535	1.2
89.02317	38.4
92.81248	1.1
95.01265	4.5
97.02825	3.2
99.00724	1.7
101.02324	28.3
111.00773	1.8
113.02330	38.0
115.03887	2.2
118.72319	1.2
119.03413	12.9
125.02317	2.2
127.07533	1.2
129.01842	1.5
131.03401	4.4
141.01822	3.4
143.03415	9.2
149.04523	2.1
159.02893	1.7
161.04460	12.7
171.10266	2.0
178.89455	1.3
179.05544	20.2
255.20897	1.5
273.22260	2.4
277.21725	100.0
278.22009	10.3
291.23294	25.1
291.26511	2.4
292.23825	2.7
301.21741	4.6
319.22827	6.3
323.09784	16.7
341.10892	50.7
342.11093	4.7
375.26706	1.3
601.31854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61539	2.0
59.01258	2.4
71.01252	4.1
71.53314	2.5
72.62003	1.8
79.95610	40.9
85.02819	2.9
96.95886	5.5
110.92777	1.8
111.67825	2.3
121.02843	6.5
125.02319	3.7
136.01563	50.1
137.02164	1.6
144.10329	1.8
151.03914	88.3
152.04221	3.0
175.07489	2.4
185.61908	1.6
272.88126	2.0
297.32684	1.9
300.14606	2.1
327.05096	2.2
332.71939	1.9
342.11139	4.4
357.13397	13.3
417.70050	2.0
437.09091	5.7
599.14417	100.0
600.14752	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	1.2
57.31396	1.0
59.01242	8.8
61.98701	2.6
69.03374	0.9
69.54090	2.2
69.54509	4.1
71.01252	6.8
72.99141	1.1
74.12241	0.9
79.67897	1.0
79.95606	14.5
81.55921	1.0
85.02845	3.4
86.35752	1.0
89.02332	5.4
96.95885	3.9
101.02316	3.9
111.00786	1.3
113.02335	3.0
119.03301	1.5
121.02854	1.2
132.02036	2.0
134.03609	2.1
137.02393	1.3
150.03134	3.1
151.03981	1.2
160.01567	8.5
161.02371	1.8
165.05452	3.9
175.03928	10.1
180.04095	1.3
181.05032	2.9
193.04964	2.4
195.06613	1.6
227.06970	1.7
233.66162	1.1
239.10805	1.3
255.10194	3.7
266.05750	1.3
270.12515	1.8
278.09006	1.9
283.09766	13.4
284.09851	1.5
296.10474	2.9
298.12070	1.9
310.11984	1.9
311.09247	43.5
312.09561	3.2
325.10779	7.3
326.11560	38.8
327.11935	4.6
341.13965	27.1
342.14365	3.7
424.24985	1.1
601.15973	100.0
602.16229	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.6
58.02846	0.4
59.01236	1.0
61.98704	2.3
71.01246	1.4
75.00740	1.1
81.03329	13.2
83.04892	39.5
84.05216	0.9
85.02811	1.2
89.02316	0.4
93.03346	0.5
96.95875	0.7
100.07552	5.5
101.02322	0.5
108.04459	0.5
109.02850	0.5
125.02323	0.8
126.05493	0.9
127.03893	0.5
134.03665	0.5
135.04396	0.7
137.02310	1.0
151.00221	0.7
153.01810	0.8
165.01848	0.6
167.30727	0.4
176.64224	0.4
179.00046	1.4
189.92023	0.4
191.01804	0.7
199.18095	7.7
207.15063	0.4
224.17625	0.8
225.16054	8.6
225.52191	0.4
226.16508	0.5
243.17094	18.8
244.17393	1.2
255.02899	0.4
269.15106	1.3
285.03989	1.4
309.21738	1.6
353.20804	6.4
354.20935	0.6
451.32938	2.3
452.33304	0.5
469.33945	12.3
470.34201	1.7
579.37897	3.2
597.38660	100.0
598.38989	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66932	0.6
55.01740	0.5
56.77541	0.5
57.03291	0.6
57.41706	0.4
57.77600	0.5
59.01191	2.4
59.35393	0.5
68.19299	0.5
68.99625	1.8
69.03269	1.6
70.93433	0.8
71.01252	3.1
73.02766	0.9
74.18884	0.5
75.00690	0.6
80.02486	0.8
81.03326	9.9
83.01246	7.8
85.02824	2.6
87.00701	0.6
93.03333	7.5
95.01270	3.0
95.04897	5.2
97.02824	6.0
99.00709	0.5
99.04387	3.4
101.02303	0.9
105.03296	0.7
107.01252	0.5
107.04897	2.8
108.02008	1.1
109.02837	4.9
109.06436	0.8
111.00693	0.7
111.04388	3.2
113.02309	3.0
115.00216	1.1
116.92699	0.5
117.03278	0.5
119.04914	11.8
120.05240	0.5
121.02824	3.7
121.06392	1.5
122.03524	0.6
123.00697	1.2
123.04411	20.6
124.01474	0.6
124.04678	0.8
125.02328	16.1
126.02601	0.5
133.01253	2.0
133.02817	0.7
133.06398	0.8
135.04417	5.7
137.01416	0.6
137.02327	8.4
137.05988	9.6
138.03079	0.7
139.03902	13.2
141.05435	1.3
145.02792	1.0
145.06451	0.6
147.04457	3.8
149.02281	2.0
149.05981	3.2
150.03041	0.6
151.00233	0.9
151.03914	5.6
151.07536	0.6
153.01816	0.9
153.05458	2.8
154.22679	0.5
155.03343	1.3
161.02306	0.9
161.05896	2.2
163.03914	5.5
163.07443	1.6
164.04549	1.7
165.01830	4.6
165.05469	8.5
166.02496	1.9
167.03409	35.6
168.03723	1.5
175.03967	0.5
176.04568	0.5
177.01758	1.5
177.05495	3.1
179.03421	11.0
179.06982	1.7
180.04045	1.5
181.05011	3.7
189.05476	9.3
191.01877	0.5
191.03378	2.8
191.07028	0.7
192.04102	1.2
193.04977	6.3
195.06474	1.0
197.04509	6.5
199.56265	0.5
205.01398	0.6
205.04903	1.9
207.02838	0.9
207.06516	3.0
209.04495	32.2
210.04840	2.5
217.04866	0.8
219.02852	1.4
219.06544	1.2
221.04506	6.7
222.04759	0.8
223.06071	1.3
229.08556	2.0
231.06544	0.8
233.04462	1.9
235.06036	1.6
239.05560	12.7
240.05820	1.0
241.25723	0.5
247.09656	0.7
251.05611	5.4
263.05615	3.0
264.05930	0.5
269.06601	2.5
273.07700	4.7
281.06659	1.2
285.07617	2.1
293.06628	0.9
299.09393	0.7
300.02710	0.6
315.08743	20.3
316.08978	1.9
327.08710	9.2
328.09274	1.1
329.10651	0.6
341.10205	1.7
345.09674	7.4
346.10129	1.2
354.07407	1.2
355.08151	0.9
357.09772	100.0
358.10178	9.4
369.09695	4.6
370.10004	0.9
371.11368	0.8
387.10843	75.9
388.11157	9.2
399.10757	4.5
411.11035	0.6
417.11874	22.5
418.12271	2.2
429.11920	2.3
441.11914	1.2
447.13199	0.8
459.12927	8.8
460.13336	0.8
463.08926	0.8
471.13013	1.2
477.14029	17.4
478.14386	2.2
489.14102	6.1
490.14236	1.2
507.15042	2.5
509.82953	0.6
579.17218	1.3
597.18262	9.0
598.18933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19209	0.3
51.47760	0.3
57.03336	0.3
59.01250	0.6
61.98701	100.0
62.98409	0.3
63.88977	0.3
64.45510	0.2
71.01250	0.7
71.45509	0.3
75.00711	0.3
75.93173	0.3
83.01223	0.3
85.02840	0.9
93.03368	0.3
94.63042	0.2
96.95875	0.3
101.02342	0.3
109.02843	0.4
110.16641	0.3
119.04908	0.6
123.04433	0.5
125.02374	0.3
129.01723	0.3
135.04384	0.6
137.02348	0.4
149.02344	0.6
151.00362	0.4
153.01901	0.3
163.03961	0.9
167.03328	0.3
175.03902	0.4
175.07503	0.3
177.01880	0.9
179.03458	0.5
193.08617	3.0
217.05013	0.4
219.06546	1.7
221.08176	0.8
240.04298	0.4
247.06308	0.6
249.07741	0.6
256.03604	0.3
263.89807	0.3
282.33978	0.3
283.02576	0.3
343.12042	1.1
353.10336	1.7
371.11310	9.4
372.11798	1.0
409.11374	0.3
436.78091	0.3
469.59470	0.3
533.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00040	0.5
53.84078	0.4
55.01751	0.6
57.03325	0.4
59.01254	2.3
60.72638	0.4
61.98702	5.2
65.00203	1.0
67.01723	0.5
69.03330	6.8
71.01246	2.0
71.20050	0.7
72.99189	1.0
75.00748	0.7
77.03838	1.0
79.01751	1.4
81.03303	0.7
83.01246	1.1
85.02826	2.6
87.04391	2.3
89.02313	0.6
93.03354	0.7
95.01300	0.6
97.02849	2.6
99.00760	1.4
101.02306	1.3
105.03336	0.6
107.01283	1.0
109.02827	3.3
110.56071	0.5
113.02339	0.9
119.04923	1.4
121.02899	2.6
123.00813	0.9
123.04392	1.4
125.02336	1.5
133.02850	15.2
134.03578	0.9
135.04431	3.1
137.02298	1.4
140.80772	0.4
147.04407	1.7
148.05232	3.7
149.02359	2.3
151.00284	1.1
151.03920	0.9
160.01613	0.6
161.02336	3.3
163.00270	1.5
163.03926	3.0
163.07573	4.2
165.01845	2.2
167.03403	1.5
169.01437	0.6
173.02353	0.8
175.03906	4.1
177.01840	0.9
179.03384	1.0
185.00821	4.1
185.02322	0.7
191.03419	2.5
193.01262	2.3
193.04958	0.7
199.03920	1.6
201.01839	1.4
203.01900	3.7
209.06046	0.8
211.04094	0.7
213.05583	1.1
215.03465	1.0
225.05511	1.2
227.03406	1.0
227.06993	0.6
231.06561	0.5
239.03494	0.6
240.04236	0.9
241.04903	0.8
243.02864	0.5
243.06508	0.5
253.05084	1.2
255.02934	0.7
255.06723	0.8
256.03717	0.8
265.05341	0.7
269.04504	1.2
284.03241	8.6
285.03928	6.9
286.04349	0.7
297.04031	11.6
298.04770	8.1
299.05609	18.9
300.06042	2.1
309.04074	1.4
311.05637	2.2
325.03439	1.0
327.05093	100.0
328.05463	11.4
339.05209	2.7
341.06467	2.2
357.01724	0.9
357.06171	19.6
358.06531	1.9
369.06183	2.1
393.06100	1.7
411.07166	0.8
414.12610	0.9
429.08179	8.2
430.08255	0.8
447.09055	2.2
449.20181	0.6
597.12555	14.3
597.21844	0.9
598.12604	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	596.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51462	1.4
55.69268	1.5
61.98703	3.8
71.32965	2.2
81.03326	2.0
81.74035	1.3
84.71055	1.4
85.02832	2.3
93.03329	1.9
101.98062	1.4
109.02827	4.4
121.02859	2.4
122.03598	1.6
123.04391	4.6
124.01526	5.3
125.02345	3.7
127.80360	1.4
135.04465	1.5
136.01651	1.5
137.02299	3.9
138.03102	4.6
149.02324	5.6
149.09622	2.2
150.03098	3.0
151.00296	1.5
151.03867	4.5
161.02419	2.9
163.03888	2.3
165.01785	2.7
165.05516	2.0
165.08951	1.8
166.02707	6.8
167.10628	2.5
175.03917	6.6
175.07732	1.5
177.01851	6.1
179.03419	1.6
191.03485	6.8
191.10722	2.2
193.08640	16.3
194.02037	1.8
201.01866	2.7
205.08624	3.5
219.02888	2.7
219.06602	4.0
221.00821	1.8
221.08127	1.7
233.08104	5.2
235.09700	21.7
245.08095	2.8
247.06094	1.8
257.08124	1.7
259.09735	1.5
261.07660	4.7
263.09436	2.9
265.10834	5.1
275.06100	1.4
286.08200	1.7
288.84213	1.5
289.07111	3.5
291.08698	4.0
295.64282	1.6
316.29883	1.5
377.11124	1.7
385.12680	8.4
386.13272	2.3
390.03906	1.5
395.11572	7.3
413.12402	100.0
414.12646	12.7
425.12109	2.7
428.20425	1.7
443.13416	24.1
444.13690	4.8
455.13174	1.8
473.13690	1.6
515.15430	6.6
533.16541	14.3
534.17365	1.8
597.10571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2813
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01246	1.5
61.98703	9.5
63.96114	1.2
66.69584	0.3
69.03308	0.7
69.12464	0.3
70.85754	0.7
71.01251	6.7
72.99207	0.4
73.02828	1.4
78.98459	6.1
79.95604	10.7
80.96389	68.7
81.03325	0.9
81.95199	0.5
81.96333	0.5
82.10393	0.3
82.95971	3.9
83.23507	0.3
85.02822	3.4
87.00742	2.7
93.11998	0.4
94.97961	16.4
95.01270	0.6
96.95892	1.0
96.97540	1.1
97.02827	1.2
99.00754	0.5
101.02320	2.3
106.97953	3.5
113.02377	0.5
121.01967	0.6
121.02847	12.2
122.03192	5.0
122.97471	3.6
123.03390	0.9
124.97031	0.4
125.02332	3.4
127.03876	0.8
132.36159	0.3
134.97488	4.8
136.99045	1.8
138.66943	0.3
146.97507	0.6
148.99043	5.9
152.98552	5.8
154.98045	0.4
155.00160	0.3
164.98537	11.9
165.01773	0.6
166.98047	0.5
179.00230	0.3
181.06558	0.3
195.13863	0.7
197.50110	0.3
206.99602	2.7
208.99509	0.3
209.04474	4.7
209.11749	0.4
210.04881	3.1
211.04939	1.9
225.00696	16.1
226.01070	0.8
227.00449	0.4
277.21783	0.4
295.22769	1.2
299.04456	3.0
300.04816	0.4
304.14551	0.3
340.51688	0.3
372.08005	0.4
387.07721	0.3
423.06769	0.4
507.11749	0.5
551.11206	1.2
566.14423	0.4
595.27783	100.0
596.28186	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01232	1.6
59.48296	1.2
61.25246	1.4
64.77969	1.2
69.78652	2.7
69.79052	3.6
73.33678	1.4
79.01779	1.9
81.03318	1.6
83.01237	3.2
85.02815	2.5
93.03323	7.7
94.36672	1.4
95.01257	2.4
97.02838	4.0
99.00771	1.7
107.01274	4.9
109.02838	4.4
110.37070	1.7
113.02319	2.0
113.03443	1.7
116.36314	1.3
117.03362	1.3
119.04919	42.7
120.05203	1.4
121.02853	3.8
123.04408	5.3
125.02337	15.3
131.04541	2.4
133.06470	1.3
135.04404	3.8
137.02324	5.4
139.03883	6.3
141.01839	1.5
143.04907	4.7
145.02876	7.5
147.04424	2.9
149.02339	5.5
150.03192	1.4
151.00287	4.7
151.03935	2.2
161.02321	1.9
161.05948	2.9
163.00276	4.0
163.03896	4.0
164.01018	1.9
165.01843	6.2
167.03441	14.4
171.88066	1.5
175.03879	1.6
177.01865	4.6
177.05562	1.6
179.03404	4.8
180.04227	1.4
185.00768	1.5
187.03957	4.8
191.03349	2.4
193.01353	10.2
197.04498	3.6
199.07581	2.9
205.01352	9.1
207.02930	5.4
209.04565	4.0
219.03004	3.4
221.04347	2.2
223.02426	1.7
227.07103	3.4
235.02477	15.3
235.07748	1.6
239.05597	3.4
247.02477	2.0
249.03987	2.8
261.03802	1.8
265.03491	5.7
265.08795	1.5
271.06107	7.6
283.06216	2.1
297.07666	1.6
313.07144	19.6
314.07440	2.2
325.07172	6.3
339.08780	2.2
343.08359	7.7
355.08218	100.0
356.08569	9.8
367.08081	6.5
369.09824	2.3
385.09293	79.9
386.09634	11.5
397.09146	4.9
409.08649	1.8
415.10303	22.0
416.10739	2.7
427.10263	3.0
445.10962	1.5
457.11710	11.0
458.11945	2.5
475.12445	48.3
476.12650	6.6
487.12692	9.3
505.13522	11.4
506.13733	1.6
557.08722	1.5
577.15552	6.8
595.16681	96.3
596.16791	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	595.1304
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01238	0.5
63.89353	0.4
65.00179	0.6
69.43150	2.4
71.01247	0.5
72.02223	0.4
84.02734	0.5
85.02805	0.8
87.60291	0.4
93.03315	0.8
98.19857	1.0
107.01301	1.2
108.02039	1.6
118.73425	0.3
121.02850	1.0
130.66687	0.4
137.02301	1.4
148.01556	1.0
151.00279	5.0
163.00269	1.2
164.00993	0.6
171.75784	0.5
178.99823	2.4
190.99998	0.5
199.03801	0.6
211.04100	0.4
215.03421	0.4
216.04228	0.5
216.13603	0.4
226.02602	1.2
227.03369	2.5
243.02948	9.8
244.03352	1.2
254.02211	2.3
255.02953	23.2
255.42599	0.5
256.03317	1.5
271.02448	49.2
272.02914	5.5
283.02527	0.6
285.99271	0.4
299.02032	1.9
300.02716	100.0
301.03262	14.1
325.59921	0.4
386.73230	0.5
463.09024	1.2
595.12970	74.9
596.13214	11.0
622.77271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52243	2.4
57.03321	4.2
59.00950	6.0
59.01250	100.0
61.98706	19.1
62.72803	2.5
64.84357	2.5
71.01247	25.3
71.53127	4.9
71.89670	2.8
73.02818	4.3
78.95779	4.5
83.01247	4.1
85.02831	14.9
87.45245	3.4
89.02336	4.8
95.01279	3.4
99.00784	4.9
101.02334	12.6
104.08743	2.8
109.02770	3.2
109.09459	2.7
113.02328	8.1
118.97987	4.7
119.04906	3.0
123.04385	3.5
123.84789	3.2
125.02363	7.6
125.56556	3.1
143.03357	3.9
161.04500	6.2
179.10669	4.8
192.04166	3.4
205.69633	3.5
215.29984	3.1
255.23253	3.4
285.03918	5.8
345.30026	4.2
489.34232	57.1
490.34546	10.2
507.35617	23.9
508.35806	4.9
564.76611	4.5
571.39984	3.0
593.29138	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.3
59.01248	1.9
61.98701	3.2
63.96099	1.1
64.34842	0.3
66.05061	0.3
69.03312	0.6
70.39330	1.0
71.01248	5.7
73.02815	1.4
78.95813	0.3
78.98455	4.7
79.95114	0.7
79.95602	31.9
80.96387	57.8
81.03330	0.6
85.02804	2.4
87.00742	2.3
94.97957	13.6
96.95866	1.4
97.02821	1.3
99.00766	0.4
101.02319	1.8
106.97966	2.7
122.97463	2.9
125.02341	2.2
127.03878	0.9
134.97466	4.2
136.99022	1.4
146.97459	0.4
148.99031	5.2
149.00133	0.5
152.98514	4.1
152.99467	0.2
161.04448	1.3
164.98535	9.9
167.00050	0.5
179.00092	0.6
182.99500	0.4
195.13837	1.1
195.81442	0.3
206.99634	2.9
225.00693	13.0
226.01022	0.6
241.00215	1.8
241.33214	0.3
243.01689	0.4
277.21750	0.7
293.21378	0.5
295.22784	4.5
299.04401	2.8
315.03842	0.9
341.05515	0.6
371.06546	2.4
385.08301	1.4
399.09616	1.4
413.11023	1.1
427.13113	0.6
441.14355	0.9
455.15903	2.1
456.16104	0.4
481.17368	0.4
495.19064	1.4
496.19556	0.6
520.30426	3.9
523.18280	0.9
524.18884	1.1
593.26306	100.0
594.26630	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	594.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21361	1.3
61.98708	11.3
71.01212	1.6
71.45045	2.5
79.82565	1.2
85.02820	4.4
93.03330	3.2
96.70235	1.2
109.02823	3.8
119.04904	7.7
121.02840	8.5
125.02335	1.6
133.06468	6.1
139.03888	4.1
149.02322	5.5
160.19452	1.5
161.02361	1.6
162.02972	1.5
163.03888	9.4
175.00252	2.2
175.64728	1.4
176.01007	1.5
182.38998	1.5
191.01801	2.3
197.39558	1.5
217.08580	3.2
225.05490	2.0
231.02965	1.9
231.06494	3.0
233.08170	4.8
245.08220	1.9
259.06033	2.2
261.07681	15.9
289.07117	6.4
291.08917	2.6
299.05334	1.8
325.03424	2.5
368.09012	1.7
369.09775	3.4
381.09778	2.3
383.11319	8.1
411.10852	100.0
412.11163	15.0
423.11374	1.8
441.11908	9.1
453.11755	1.9
531.15088	92.7
532.15424	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	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01249	1.1
61.98706	2.4
62.63998	0.3
63.96103	1.0
67.68020	0.3
69.03328	0.3
71.00568	0.4
71.00888	0.6
71.01247	5.9
73.02816	1.7
78.98454	5.4
79.95602	22.2
80.96385	62.9
81.03332	0.6
85.02820	2.8
87.00733	2.2
94.97958	14.4
95.01257	0.5
96.95871	1.3
97.02822	1.3
101.02309	2.1
106.97964	3.5
113.02337	0.5
122.97447	3.9
125.02325	3.0
127.03876	0.9
133.36060	0.3
134.97453	4.2
136.99016	1.1
143.97603	0.4
148.97832	0.3
148.99030	6.6
152.98537	6.1
161.04507	0.5
164.98537	10.7
165.98849	0.4
167.00092	0.6
179.00050	0.6
182.46761	0.3
182.99602	1.2
206.99631	3.3
212.20879	0.4
225.00685	18.2
226.01089	0.5
241.00191	0.8
243.01698	1.0
264.43793	0.3
275.20016	0.4
299.04434	3.4
315.04007	0.5
371.06393	1.6
385.08167	0.8
399.09616	0.6
413.10989	0.6
455.15802	1.0
495.18845	1.0
523.18616	0.6
523.77533	0.4
554.04999	0.4
593.26306	100.0
594.26636	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	12.2
59.01248	14.5
60.47932	0.7
69.03341	1.2
69.70927	1.8
69.71320	2.0
71.01250	10.1
80.44809	0.7
80.65119	0.8
81.03342	2.4
83.01254	5.7
83.04917	1.0
85.02835	2.2
87.00724	1.0
89.02317	8.7
89.03865	1.0
93.03336	2.2
95.01263	2.0
95.04913	1.6
97.02860	1.8
101.02322	5.1
108.36145	0.7
109.02834	15.0
111.04401	1.9
113.02327	4.3
119.03397	4.5
121.02831	2.8
123.00773	3.1
123.04419	2.9
124.01580	2.1
125.02335	100.0
126.02660	3.7
133.02834	3.5
135.04413	1.6
137.02342	31.1
138.03105	1.8
139.03911	13.3
145.02875	0.8
147.04367	1.1
149.02362	2.8
150.03024	0.8
151.02837	0.9
151.03854	4.7
153.01839	1.6
155.03424	0.9
159.04404	1.2
161.02364	17.9
161.04408	1.4
162.03018	1.4
163.03844	2.3
164.01057	5.6
165.01843	12.5
166.02606	1.4
167.03416	11.5
173.05988	1.3
175.03922	7.3
176.01138	1.0
177.01865	10.7
177.05501	2.3
178.02505	1.5
179.03419	9.4
179.05505	3.4
187.03943	3.3
188.04482	0.9
189.05467	1.1
191.03401	1.1
199.03807	1.7
201.05505	1.7
203.03391	3.2
203.07166	1.0
204.04256	1.7
205.01376	2.9
205.04883	1.3
211.03989	1.4
215.03442	1.1
217.05029	2.9
218.05890	0.9
219.06537	7.1
221.04539	4.5
227.03412	1.7
228.04164	1.1
229.04990	2.6
231.02922	0.8
233.98503	0.9
243.02852	4.1
245.04565	4.8
245.08022	1.2
255.02908	9.7
256.03674	3.5
257.04306	1.6
261.07596	2.0
269.04486	3.0
273.04010	4.8
283.02454	6.6
284.02930	1.4
285.03973	5.3
286.04538	1.2
287.05591	5.8
288.06116	1.1
289.07092	4.1
297.04031	3.2
299.05618	3.5
305.06653	58.5
306.07074	4.5
345.06082	1.2
347.07535	0.9
397.09259	1.5
407.07620	1.3
423.07236	47.3
424.07443	6.2
425.08661	5.3
441.08228	6.9
442.08484	1.0
467.09833	10.3
468.09888	2.0
473.00018	0.9
533.19177	1.1
533.25928	5.6
534.26282	0.8
575.11835	1.8
593.13062	6.1
594.13794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
57.03321	15.3
59.21550	0.5
65.03826	0.4
67.01720	0.6
69.03326	1.4
69.80373	0.5
71.00864	0.7
71.01205	0.6
77.03849	0.6
81.03330	2.7
83.01248	4.2
85.02841	0.6
89.03894	0.5
93.03345	2.5
95.01276	1.5
95.04909	2.0
97.02831	2.9
97.51012	0.4
105.03345	0.9
107.04908	1.8
108.02029	0.6
109.02834	18.5
110.03162	1.0
111.04389	2.8
117.03359	0.8
121.02862	3.1
123.00774	4.2
123.04414	2.2
124.01566	3.0
125.02339	100.0
126.02660	4.2
131.04921	1.1
133.02861	4.3
135.04399	1.3
137.02342	28.6
138.02873	1.0
139.03909	13.7
139.04942	0.8
140.04153	0.6
145.02823	0.6
147.04428	1.5
149.02319	3.1
149.05995	1.5
150.03165	0.5
151.03915	5.5
158.03648	0.9
159.04443	2.3
161.02356	18.2
161.05959	1.1
162.03021	1.9
163.00279	1.8
163.03876	2.1
164.01060	5.6
165.01859	12.9
166.02496	1.0
167.03400	11.8
168.03809	0.8
173.06056	1.2
175.03911	8.5
175.07478	0.6
176.01054	0.5
176.04437	0.7
177.01852	10.9
177.05440	4.7
178.02516	2.0
179.03413	8.4
183.04459	0.9
187.03946	3.5
189.01883	0.9
191.03453	1.2
191.07092	1.3
193.04910	0.8
197.06096	0.6
199.03935	1.4
199.07648	0.5
201.05469	2.5
203.03479	3.5
203.07030	1.0
204.04205	2.2
205.01424	3.2
205.05020	1.0
211.03949	2.0
213.05536	1.6
214.02573	1.1
215.03461	2.1
215.07095	0.9
217.05011	1.8
217.38150	0.6
219.03114	0.8
219.06578	7.0
220.06941	0.7
221.04515	5.5
225.05466	0.9
227.03435	2.1
228.04193	1.7
229.05127	2.4
230.05568	0.7
231.06465	0.5
241.05078	1.0
242.02155	0.5
243.02940	6.2
243.06601	1.2
244.03502	0.9
245.04512	6.0
245.08217	0.8
253.04971	0.7
255.02968	15.2
256.03674	5.2
257.04355	2.9
261.07669	2.0
263.05682	0.5
267.02997	0.5
269.04517	3.2
270.04779	0.5
271.06131	0.7
273.04028	2.3
281.04431	0.5
282.01703	0.9
283.02478	7.0
283.14816	0.5
284.02832	0.9
285.04031	2.0
287.05634	4.9
288.02783	0.7
289.07211	2.7
297.03983	4.1
299.05713	2.0
305.06665	52.3
306.07022	4.1
345.06265	0.7
355.08301	1.3
397.09482	1.0
423.07190	46.1
424.07581	6.8
425.08734	2.4
426.09335	1.2
441.08334	5.0
467.09772	10.0
468.10068	1.3
538.94940	0.6
551.78088	0.5
575.11865	1.6
593.12646	3.0
594.13226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82556	1.6
57.03335	9.6
59.01271	2.0
69.03328	16.5
71.48784	2.7
81.03329	4.5
83.01231	4.6
85.02838	2.8
90.04829	1.8
93.03329	4.4
95.01285	4.0
95.04926	3.7
97.02853	9.0
99.00767	6.1
105.82572	1.8
109.02814	14.7
111.00751	5.8
121.02809	5.8
123.00757	8.4
123.04417	10.6
125.02335	100.0
126.02722	2.5
133.02869	3.9
135.04390	2.0
136.49188	1.8
137.02351	35.1
138.02792	2.4
139.00253	13.1
139.03885	7.2
141.01833	11.2
147.04416	2.0
149.02353	11.3
149.16890	1.6
150.03029	2.1
151.00253	2.2
151.03908	13.2
153.01837	8.5
156.63907	1.8
159.04382	3.4
161.02339	22.8
162.02939	3.2
163.00253	3.0
163.03954	3.9
164.01079	2.6
165.01822	13.1
166.02531	3.0
167.03438	9.9
170.93991	2.0
175.03973	9.3
177.01855	42.1
177.05412	2.2
179.03378	6.9
185.00813	12.6
187.03813	3.6
188.04694	2.8
189.20021	1.8
191.03545	2.3
203.03494	2.3
203.07092	5.9
205.04944	4.0
217.05043	3.8
219.06592	4.5
221.04369	2.3
229.04974	3.3
231.02893	2.7
238.23639	1.8
243.02994	5.1
245.04573	4.2
245.08134	6.4
255.02959	7.4
256.03604	3.7
257.04453	4.2
261.03940	3.3
269.04559	4.2
272.02695	1.9
273.04059	6.3
283.02390	2.4
285.04138	11.4
287.05560	6.4
289.07166	41.6
290.07379	3.7
297.04123	3.2
299.05472	2.3
301.07303	3.7
303.05145	14.5
304.05627	3.1
305.06653	31.9
306.07047	3.8
310.09311	2.2
315.04984	2.5
397.08850	3.8
404.30911	1.9
407.07834	22.5
407.12982	3.5
408.08099	4.6
423.07126	30.6
424.07498	7.2
425.08914	12.8
426.09052	6.2
441.08319	15.7
442.08536	2.8
449.08530	2.4
460.60950	1.9
467.09778	12.9
575.12018	2.1
593.13074	13.5
594.13318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55964	0.2
58.75327	0.2
59.01261	0.2
61.98702	100.0
62.98410	0.2
70.28468	0.4
70.28864	0.5
71.01262	2.0
73.02799	0.3
78.98459	1.5
79.95607	4.6
80.96388	17.3
82.95981	0.7
85.02842	0.6
87.00758	0.7
94.97964	3.6
96.95874	0.3
98.19820	0.2
101.02341	0.5
106.97962	0.6
122.97461	0.7
125.02335	0.6
134.97481	0.9
136.99011	0.4
148.99071	1.6
152.98549	1.5
164.98543	3.0
165.37317	0.2
206.99628	0.4
217.11423	0.2
225.00681	3.5
226.01044	0.3
253.95090	0.2
299.04398	0.6
395.27972	0.7
592.25098	9.3
593.26239	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
61.98703	100.0
71.01262	1.3
71.19466	0.9
78.95788	1.1
79.95612	1.4
80.96392	7.9
85.02850	0.5
87.00723	0.5
94.97975	2.1
106.97974	0.8
121.02857	2.0
122.12811	0.5
125.02306	0.8
134.97453	0.8
138.91298	0.4
138.95209	0.4
141.98747	0.5
148.99002	0.7
150.56940	0.4
152.41219	0.5
152.98509	0.6
161.51205	0.5
163.03961	0.9
164.98558	1.5
209.04440	1.0
225.00786	2.3
241.41695	0.4
255.23306	0.5
258.32364	0.4
290.85013	0.5
324.61575	0.5
593.26300	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	593.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99300	0.1
57.03324	0.2
59.01240	0.7
63.02271	0.9
65.00189	0.8
66.78558	0.1
69.91433	0.2
71.01250	3.1
72.99174	1.0
75.00757	0.3
81.82741	0.2
83.01266	1.1
85.02827	2.0
85.33991	0.2
87.00735	0.2
89.02281	0.4
95.01255	0.4
98.20575	0.4
99.00739	0.5
105.03370	0.3
107.01260	1.6
109.02824	1.0
113.02322	1.6
115.00272	0.7
121.02815	0.8
125.02313	0.3
131.03340	0.2
133.01326	0.2
133.02844	5.8
134.03104	0.2
135.04413	0.3
147.04410	0.3
149.02341	1.5
151.00281	3.2
151.03903	0.3
153.01851	0.3
161.02431	0.2
163.03880	0.2
171.04420	0.4
174.03149	0.2
175.03915	2.0
177.01949	0.3
184.61996	0.2
185.05963	0.5
191.01863	0.2
197.06047	0.3
198.03064	0.4
199.03900	1.7
201.01904	0.5
209.02983	0.2
211.03854	0.3
213.05522	0.5
215.03363	0.4
217.04970	1.2
229.04999	0.2
239.03357	0.2
240.04193	0.2
241.04907	0.8
242.05873	0.2
243.02969	0.7
255.02959	0.2
256.03760	0.4
257.04532	0.5
267.02875	0.3
284.03244	2.4
285.04031	100.0
286.04385	9.0
289.05511	0.2
297.03970	1.3
298.04816	0.4
299.05551	0.4
307.06763	1.3
309.04132	0.2
313.03519	0.4
327.05096	5.9
328.05466	0.7
339.05002	0.4
357.06158	0.6
358.06616	0.2
381.06229	0.4
399.07248	0.3
403.66931	0.2
443.05890	0.3
445.19183	0.2
459.09280	0.9
461.07040	0.2
531.11133	0.3
593.11475	13.3
594.11725	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51807	3.9
59.01251	100.0
59.44181	5.1
61.98703	55.6
70.66271	8.7
71.01241	18.2
72.75975	4.9
73.02824	8.2
78.95789	5.7
83.01257	7.3
85.02818	16.6
87.00766	6.8
89.02307	6.6
99.37817	5.5
101.02313	14.5
108.60514	4.9
119.04899	17.3
121.02812	5.9
125.02384	7.3
145.02847	10.3
152.99486	4.8
163.03886	15.0
195.40746	4.5
223.06006	6.3
255.23315	5.1
343.28473	5.9
347.20453	5.4
423.50885	4.7
459.07245	5.2
487.32718	67.3
488.32751	10.4
505.33713	25.3
587.90179	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	592.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.1
61.98701	100.0
64.19045	0.4
78.95784	1.4
80.96391	3.7
94.97992	0.6
103.24557	0.5
119.04929	1.0
121.02890	1.1
145.02876	1.4
152.99522	0.6
163.03926	1.1
164.98692	0.7
170.04442	0.5
209.04544	0.8
243.26015	0.5
437.23862	0.5
471.20624	0.7
484.63608	0.6
529.28033	2.8
530.28821	0.9
533.24402	3.3
593.26398	5.6
614.44470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
61.98701	100.0
62.46555	0.2
62.98408	0.3
63.96110	0.5
71.01247	2.2
71.44675	0.3
73.02820	0.4
78.07433	0.2
78.95753	0.3
78.98464	1.6
79.95603	4.2
80.96389	19.3
82.95967	0.8
85.02829	0.7
87.00755	1.0
94.97961	4.8
96.95884	0.5
97.02821	0.3
101.02328	0.7
106.97982	0.7
117.99404	0.2
121.02856	0.5
122.97478	0.9
123.91611	0.2
125.02338	0.9
134.44057	0.2
134.97461	1.7
136.98996	0.7
148.99057	1.7
152.98572	1.3
161.04425	0.4
164.98540	2.6
165.01819	0.2
170.94942	0.2
206.99596	0.6
225.00717	4.3
299.04315	0.8
309.20743	0.3
371.06268	0.3
395.27951	0.6
410.74655	0.2
455.37305	0.3
592.25061	13.1
593.26208	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2482
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
50.13193	0.5
56.72491	0.6
57.03325	0.8
59.01250	4.6
60.18737	0.6
60.53340	0.7
61.98702	46.1
63.96108	1.2
64.09737	0.7
69.03318	1.2
71.01242	7.1
71.52596	0.8
71.84296	0.7
73.02794	1.6
78.95779	2.5
78.98465	6.5
79.95608	13.2
80.96389	70.4
81.03339	1.0
85.02831	3.2
87.00750	2.6
94.97961	17.2
96.95862	1.3
97.02814	0.9
99.00748	0.9
101.02326	2.1
106.97987	3.9
119.04908	1.1
122.97416	3.2
125.02351	2.9
134.97490	5.3
136.58102	0.6
136.99023	1.5
148.99049	6.7
152.98505	5.4
152.99521	0.8
163.03986	0.9
164.98550	12.3
206.99606	2.5
225.00688	12.9
243.43184	0.7
248.50620	0.6
255.23213	0.9
275.20261	0.8
291.19720	1.7
293.21179	6.1
299.04367	3.2
518.28650	3.9
591.24799	100.0
592.25104	19.0
592.34668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33925	2.2
55.25042	2.2
58.45166	2.2
59.01252	100.0
61.98688	8.5
63.80007	2.3
71.01250	23.4
71.17936	2.2
73.02817	4.4
78.92694	2.2
78.95773	3.8
83.01278	5.7
85.02812	16.2
89.02297	4.9
89.10246	2.4
94.80788	2.1
96.95890	3.4
101.02338	11.1
101.02909	2.6
113.02335	10.7
116.03458	2.6
117.03342	4.3
119.04910	2.8
125.02337	5.1
133.02795	3.2
137.02333	3.5
143.03384	3.5
145.02835	7.0
146.03319	2.4
159.02905	2.9
160.01547	13.0
161.02327	4.2
161.04439	7.9
165.01939	3.4
171.10181	4.5
175.03967	9.3
179.03349	4.4
237.05525	7.2
281.04572	6.0
329.19275	2.6
347.20663	2.3
405.34335	2.4
487.32700	45.7
488.32983	6.7
505.33661	17.7
506.33719	4.2
511.53217	2.3
591.28705	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	591.1356
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03309	2.2
59.01237	0.8
63.80733	0.5
65.00174	0.8
70.29784	2.0
99.04395	2.0
101.02316	0.8
102.45425	0.6
105.03301	0.9
109.02803	1.9
112.78505	0.6
121.02843	1.0
125.02306	1.7
133.02837	9.1
135.04405	0.8
147.04410	1.2
149.02359	1.3
160.58214	0.6
161.02348	0.8
161.04443	2.3
163.00279	1.1
163.03880	2.4
165.01805	1.7
175.03891	2.1
177.01837	0.7
191.03410	1.7
191.58400	0.6
193.01410	0.8
199.04004	0.7
201.01842	0.9
213.05463	0.8
241.04956	0.9
253.05122	1.1
255.03061	1.0
255.06621	1.0
263.30505	0.6
284.03259	6.9
285.04037	7.7
297.00671	0.9
297.04044	17.8
298.04739	8.5
299.05591	15.6
300.05859	1.9
309.04047	1.8
311.05606	2.8
324.02902	0.8
325.03641	2.7
327.05093	100.0
328.05463	10.3
339.05072	4.9
340.04935	0.7
341.06644	1.0
357.06161	54.5
358.06589	6.8
365.06631	0.8
369.06168	7.6
370.06598	1.2
381.06287	0.7
393.06183	7.2
394.06555	1.6
411.07239	5.3
412.07578	1.0
415.85162	0.7
429.08246	5.4
430.08551	1.0
447.09329	16.5
448.09579	2.0
489.10474	6.6
529.13409	1.3
561.91229	0.7
591.13635	3.7
602.33215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
61.98703	100.0
64.83159	0.6
70.67534	1.4
71.01246	1.6
78.95789	0.8
78.98464	1.6
79.95613	2.1
80.96394	11.2
80.96851	0.9
82.09267	0.6
85.02847	0.6
94.97984	2.5
95.92848	0.7
104.58638	0.5
106.97923	1.0
119.04885	0.7
122.97467	0.8
134.97469	0.6
146.67630	0.6
148.99057	1.4
164.98561	2.2
169.56691	0.7
225.00742	2.4
249.85968	0.8
316.75360	0.7
456.72403	0.7
528.47650	0.8
591.24738	18.5
591.33344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1145
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
52.93230	2.5
57.03316	12.6
59.01252	16.9
59.50171	2.8
71.01250	9.4
71.15667	3.6
78.93500	2.4
81.03315	3.3
83.01264	8.7
85.02831	4.7
89.02328	8.5
89.03887	3.1
95.01265	6.0
97.02824	3.4
99.00775	6.2
101.02300	4.9
109.02823	23.0
111.00768	12.1
113.02287	3.5
115.53525	2.7
119.03360	3.5
121.02840	8.5
123.00766	12.8
123.04398	8.8
125.02333	100.0
133.02838	6.7
137.02336	44.0
138.03046	8.5
139.00253	19.3
139.03928	4.7
140.01030	4.7
141.01831	15.8
143.03477	2.6
144.67612	3.0
144.68791	2.8
147.00706	2.8
147.04449	5.2
149.02362	18.4
151.00244	8.5
151.03899	9.5
152.01094	2.8
153.01848	14.8
158.55109	2.5
159.04428	8.0
161.02354	32.6
161.05956	3.8
162.03105	3.5
163.00290	18.7
163.03894	11.2
164.01038	7.7
164.04184	2.8
165.01881	16.9
166.02611	7.9
167.03429	4.8
171.04362	3.3
173.02502	3.4
174.03133	3.3
175.00208	5.1
175.03920	25.5
176.01018	6.6
177.01866	72.6
178.02267	2.7
178.99744	3.9
179.03365	3.6
179.05711	2.9
187.03995	6.3
188.04562	3.9
189.01892	7.9
189.05502	7.2
191.03369	5.9
199.03979	6.8
201.01820	5.5
201.05544	3.9
203.03427	8.5
213.05446	3.6
215.03412	5.7
217.01271	2.8
217.04974	12.1
219.02922	6.0
227.03505	6.3
229.05005	6.7
231.02983	6.3
233.04466	4.0
241.05165	3.4
243.03000	18.7
245.04474	6.3
245.08389	4.3
255.02956	11.3
256.03720	5.6
257.04559	7.3
258.01807	3.7
259.02448	16.7
259.06046	4.4
261.04034	10.5
271.02487	7.5
272.03018	4.2
273.03915	6.7
281.04269	3.4
283.02573	6.9
285.04050	22.5
287.05606	10.1
289.07300	14.8
299.05624	4.8
300.02536	3.6
301.03625	17.3
301.06857	4.3
303.05078	50.7
304.05399	5.7
313.03442	4.4
327.05017	6.8
341.06784	3.0
379.08514	5.5
403.04614	3.1
407.07492	13.9
409.60925	2.8
421.05664	17.6
422.06018	5.1
423.07220	19.4
424.07755	3.4
425.08694	9.3
439.06567	29.4
440.07123	7.7
441.08142	5.4
447.07187	4.7
465.08185	6.5
469.07855	3.8
573.10144	3.1
591.11517	14.1
592.11859	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	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05127	0.5
59.01254	1.2
61.98702	100.0
64.16305	0.5
71.01248	3.6
71.52776	0.7
73.02823	0.9
73.66520	0.5
78.98472	2.0
79.95604	5.2
80.96391	26.3
85.02831	1.1
87.00739	1.1
94.97952	5.7
96.95924	0.7
97.86246	0.6
101.02383	0.6
106.97993	1.3
119.04914	0.7
122.97502	0.8
125.02310	0.7
134.97482	2.1
136.99019	0.9
143.10721	1.0
148.99086	2.1
152.98578	1.5
164.98544	5.4
165.01871	0.5
169.39989	0.5
196.98891	0.5
206.99660	1.1
209.11830	1.1
210.12097	0.9
225.00734	6.3
245.15092	0.5
291.19818	0.8
299.04520	0.9
305.62302	0.6
338.01959	0.6
403.01706	0.6
483.28079	0.6
511.77893	0.5
541.53613	0.6
572.77643	0.6
591.24799	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	19.2
61.98703	9.3
63.75151	4.5
65.78062	4.2
70.81600	7.5
78.95767	6.7
83.22658	4.2
89.02313	6.6
101.02309	9.4
123.66148	5.3
195.13911	8.5
222.31648	4.6
223.13269	4.8
253.09294	32.4
275.20114	9.7
293.21225	100.0
294.21506	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94901	2.8
58.20734	2.8
59.01240	27.8
59.64773	2.9
61.98703	10.5
71.01249	9.6
71.04878	4.2
72.95753	3.2
73.02794	2.8
85.31609	2.8
89.02297	7.5
101.02307	7.5
117.96738	2.8
119.04916	4.4
123.08053	2.8
124.78928	2.9
147.73160	2.6
149.77043	2.5
154.87593	2.9
161.04503	4.5
163.03908	4.4
173.23203	3.2
235.16994	56.9
236.17274	3.8
253.09267	52.0
275.20142	82.7
276.20377	10.3
293.21207	100.0
294.21570	9.4
296.77951	3.5
356.13229	3.5
576.37482	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	590.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49703	3.7
59.01254	11.2
59.71376	3.6
61.98704	100.0
71.01245	27.6
71.08162	4.6
71.08488	5.3
75.00732	12.2
78.95773	16.3
85.02838	14.4
99.00747	7.5
113.02325	16.5
122.66974	3.3
152.99475	9.9
210.12395	4.1
236.06042	3.8
277.21750	45.6
278.21979	5.3
279.23221	14.8
396.79550	4.2
527.28577	82.8
528.28845	16.3
572.36359	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	1.5
59.01249	26.3
61.98701	6.8
64.46229	0.7
70.86063	1.2
71.01249	6.2
71.04897	1.5
73.02810	1.2
80.73176	0.7
85.02809	1.5
87.00742	1.5
89.02316	5.2
101.02316	4.2
110.67617	0.7
113.02303	2.7
119.03317	0.8
134.97266	0.7
143.10677	7.9
161.04430	2.8
171.45706	0.6
189.61023	0.6
209.11749	5.7
209.15300	0.8
223.17004	1.6
227.12744	1.0
231.21175	0.8
235.08080	1.3
235.16977	15.8
236.17303	1.9
253.09271	24.9
254.09549	1.4
275.20145	24.2
276.20508	3.1
293.21213	100.0
294.21530	11.1
450.45651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	32.9
60.01554	0.9
61.98697	7.3
68.34724	1.0
69.70644	5.1
69.79294	1.1
71.01255	6.5
73.02822	2.0
79.30271	0.9
85.02868	1.0
89.02323	4.6
98.20539	1.3
101.02309	5.6
113.02322	3.3
113.09617	1.7
119.03394	1.6
121.10128	4.2
161.04475	3.9
171.10216	14.4
179.05608	1.0
183.13808	3.5
195.13766	1.6
209.11815	1.2
211.13397	1.6
214.14996	1.1
223.13272	2.0
231.21245	1.0
235.08194	1.8
253.09248	28.6
254.09645	1.5
254.14073	1.1
275.20123	20.9
276.20602	1.9
290.44202	1.0
293.21228	100.0
294.21591	12.0
357.17703	1.0
443.90659	1.1
529.30170	1.2
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
69.28859	0.3
69.29269	0.9
72.99184	1.6
74.06557	0.1
75.00745	100.0
75.62881	0.1
76.01085	1.1
77.98855	0.1
83.77113	0.1
98.61298	0.1
99.88431	0.1
100.73511	0.1
277.21881	0.3
293.21188	0.2
366.44907	0.2
496.55902	0.2
578.72656	0.2
619.20197	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03301	0.2
61.82326	0.2
61.98703	0.3
71.53270	0.2
72.99176	1.8
75.00744	100.0
76.01080	1.2
78.47987	0.2
78.95770	1.2
80.71297	0.2
101.88005	0.3
107.28431	0.3
118.64154	0.2
123.86425	0.2
141.42406	0.2
152.99483	1.7
156.72728	0.2
242.42500	0.3
277.21655	1.9
505.25815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86266	6.0
57.52275	6.5
59.01255	17.7
61.98699	62.4
62.98780	6.3
68.78355	7.2
69.03314	9.8
71.01247	12.5
71.39681	6.1
71.53559	7.9
73.02828	6.3
78.54388	6.4
83.01222	6.8
87.00748	7.2
96.95903	14.0
101.02274	7.3
107.01292	13.3
109.61353	8.0
116.92761	18.6
125.02321	19.5
133.02838	22.7
135.04399	19.2
148.78769	7.1
149.02365	7.8
151.00275	48.3
153.01817	11.2
178.99774	6.6
215.03391	6.6
255.02925	8.6
263.80075	9.0
284.03204	24.1
285.04022	100.0
286.04401	14.1
287.05588	13.7
301.03458	32.8
325.03333	7.5
347.83084	6.9
382.06903	13.8
421.05688	19.1
446.25992	7.7
493.94144	7.2
587.14893	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	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03175	1.4
59.01244	21.9
61.98699	6.0
69.03313	1.7
71.01250	5.7
71.52690	2.5
78.95780	2.0
81.99466	1.6
89.02319	4.6
95.66638	1.5
101.02309	6.3
113.02349	2.7
121.10114	6.0
122.13802	1.6
125.09598	3.8
125.20258	1.5
171.10175	2.1
185.11746	5.5
197.11829	2.2
203.37747	1.8
213.05519	1.9
247.20602	1.9
253.09286	17.4
263.20126	3.7
273.18582	3.4
290.15985	1.7
291.19647	100.0
292.19955	9.9
297.18555	1.6
405.14209	1.9
441.93753	1.8
499.04282	3.8
507.26382	1.6
527.28302	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	585.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74884	0.3
61.98701	1.1
62.95234	0.2
69.03320	3.2
70.55027	0.6
79.01779	0.3
85.02868	0.2
89.03822	1.3
89.75064	0.2
95.01269	0.9
96.95872	0.3
97.02840	0.8
98.20483	0.3
117.03353	6.0
119.04896	0.4
121.02854	1.7
123.00775	1.5
132.02049	0.5
134.03627	60.9
135.03929	2.6
137.02316	0.8
141.01842	1.8
147.04416	0.9
149.02339	11.5
149.05991	5.6
150.02731	0.4
150.06413	0.3
152.01187	0.3
159.23222	0.3
160.01602	0.4
163.03915	0.7
164.04703	9.6
165.05098	0.6
166.27600	0.3
166.99753	0.6
169.04950	0.4
175.03947	0.6
178.02609	2.1
179.02945	0.3
179.07057	0.9
185.00806	1.7
193.04985	100.0
194.05331	5.8
208.03717	2.8
214.06358	0.5
215.06923	0.3
223.06068	23.8
224.06459	1.1
229.08716	0.6
245.08148	0.5
251.35291	0.3
284.03281	0.4
285.03995	1.0
317.06604	0.4
353.44806	0.3
361.05609	0.5
409.07846	0.7
459.31738	0.3
586.15674	0.5
587.26923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.5
61.98704	5.3
66.87878	0.2
67.43000	0.2
69.03329	4.7
71.01248	0.6
71.08989	0.5
71.88346	0.2
73.58081	0.2
89.03846	0.8
91.05432	0.5
91.31641	0.2
93.03358	0.6
95.01269	1.1
97.02827	1.4
113.02314	0.4
117.03342	3.1
119.04932	1.3
121.02840	9.6
121.99996	0.2
122.03204	0.3
123.00786	1.5
132.02077	1.0
133.02824	0.4
134.03636	25.6
135.03882	0.4
137.02382	1.2
139.00398	0.3
141.01816	2.0
147.04416	5.1
149.02351	65.3
149.05945	2.3
150.02676	3.1
152.01083	1.0
152.14517	0.3
160.01625	0.3
163.02675	0.2
163.03928	1.5
164.04707	48.9
165.01924	0.3
165.04999	2.3
165.38724	0.3
166.99786	0.4
169.05026	0.4
175.00244	0.3
178.02635	2.9
179.05522	0.3
179.07056	4.1
185.00867	0.9
192.04279	0.3
193.01422	2.0
193.04999	24.9
194.05325	1.7
195.98593	0.3
205.05046	0.7
208.03708	3.3
209.04181	0.4
223.06068	100.0
224.06416	6.2
229.05029	0.3
241.89377	0.2
244.07446	0.3
259.09677	0.5
275.09299	0.5
285.04123	0.4
347.07660	0.4
379.06989	0.7
391.06754	0.7
583.89307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.3
57.03321	18.6
57.70364	2.1
69.20530	22.0
71.01251	3.5
75.02323	2.5
83.01263	6.2
84.03083	2.4
85.02825	100.0
101.69994	2.3
111.00746	20.5
121.02859	18.6
125.02362	4.3
125.69039	2.4
129.01830	55.1
130.02151	3.1
134.66580	3.0
137.02313	7.7
139.00275	25.3
145.01349	2.6
147.02895	13.1
153.05476	9.0
154.02612	5.7
173.00864	13.3
181.01349	6.3
182.99280	9.9
183.28352	2.4
191.01810	11.6
193.04968	2.6
197.04477	37.5
198.01579	27.1
198.04913	2.4
213.04004	34.2
265.07236	4.9
311.04199	3.4
327.07333	8.4
371.06149	4.5
585.23010	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17631	1.0
56.87019	1.0
56.92614	1.1
59.01225	1.9
68.91594	0.9
71.01249	9.2
73.02818	1.3
77.74470	1.0
78.98477	7.9
79.95609	12.1
80.96384	80.9
85.02808	2.4
87.00748	3.2
94.97958	18.2
96.95909	1.3
97.02805	1.8
101.02310	2.3
106.97958	3.6
122.97472	2.0
125.02310	2.7
134.97446	3.2
136.99069	1.6
148.99063	5.0
152.98544	5.6
164.98534	13.8
206.99583	3.1
225.00662	15.9
283.26517	2.7
299.04456	2.5
436.23325	1.0
583.31537	100.0
584.31891	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	584.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93461	1.0
52.72717	1.0
61.98703	100.0
67.47858	1.1
71.45442	1.7
74.49435	1.1
75.00765	1.7
78.95779	10.6
80.44199	1.0
82.95998	1.8
107.41206	1.1
110.69950	1.0
115.91965	2.3
116.91961	1.5
116.92744	2.3
150.97885	1.2
152.99483	3.8
179.89281	1.4
196.89444	3.0
197.89455	2.6
222.93025	1.0
236.92308	1.9
243.55740	1.3
255.23256	3.1
267.60986	1.1
325.77075	1.1
377.40692	1.1
446.32693	1.1
492.25113	1.0
493.16385	1.3
548.18207	1.2
584.20020	6.4
584.30109	4.2
585.19775	1.9
600.92688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
60.90713	0.1
61.98700	100.0
62.98412	0.2
70.86240	0.3
71.01266	0.3
78.95770	0.5
79.95605	0.2
80.96376	0.6
80.98035	0.2
81.95190	0.2
82.95971	1.7
82.96796	0.2
84.96402	0.2
94.97985	0.1
96.97549	0.3
152.99469	0.4
166.98100	0.2
168.04272	0.1
180.00731	0.1
182.72488	0.1
182.74184	0.1
242.07866	0.2
258.13446	0.1
279.23315	2.5
280.23639	1.7
281.23996	1.0
282.24185	0.6
309.82919	0.1
485.73132	0.1
504.30917	0.6
505.31107	0.3
506.31473	0.1
507.31870	0.7
529.48187	0.1
581.27240	3.8
582.27289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
59.64170	0.1
61.98701	100.0
62.98412	0.2
71.01239	0.1
78.95788	0.9
80.96387	0.3
81.95231	0.1
82.95983	0.6
82.96783	0.1
84.96382	0.1
98.19713	0.2
102.69049	0.1
108.39452	0.1
115.03913	0.1
152.99557	0.3
224.06969	0.2
229.47169	0.2
279.23260	1.6
280.23630	1.0
281.23938	0.6
282.24347	0.4
301.01111	0.1
317.70535	0.1
498.62839	0.1
504.30927	1.0
505.31207	0.2
506.31531	0.2
507.31802	0.8
530.96191	0.1
581.27057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26540	0.4
55.01778	0.7
57.03316	1.4
59.01249	3.4
61.98703	3.1
69.20477	4.5
71.01250	2.1
72.99188	0.8
73.02811	0.6
75.00757	0.8
83.01260	0.9
85.02817	13.2
87.00726	0.8
89.02319	0.8
93.03330	2.7
95.01301	0.5
98.20515	0.8
101.02325	0.9
111.00743	0.7
117.03349	20.3
118.03696	0.9
119.04913	84.4
120.05235	4.2
121.02837	1.8
122.03621	1.1
123.00755	1.1
123.04409	0.9
125.02376	0.8
129.01857	1.2
133.02873	0.8
135.04393	1.2
137.02409	1.1
138.03105	1.0
145.02853	48.8
146.03189	2.6
147.02885	2.8
149.02362	1.7
150.03154	3.9
151.00267	5.8
152.01077	2.9
153.05441	0.9
160.01630	0.7
163.03914	100.0
164.04254	4.7
165.01846	2.1
165.05457	4.0
166.02623	8.7
167.03302	1.4
175.03911	1.9
177.01924	1.1
177.05482	6.0
179.03391	2.1
180.04182	2.4
181.04959	6.4
188.04607	0.8
190.06223	0.9
191.01880	4.5
191.03455	2.4
191.05150	0.4
192.04062	0.6
193.04990	1.2
194.05705	1.1
195.06514	5.6
205.05000	1.1
206.05714	2.6
207.06268	0.7
209.02940	1.4
215.07065	4.6
216.07455	0.6
217.05098	0.5
221.08153	2.0
235.06152	0.6
251.09253	0.8
261.07660	0.7
264.04218	0.6
284.03323	0.8
293.04617	0.5
299.05710	0.7
323.09155	1.0
327.05054	0.6
345.20706	1.0
355.11841	0.8
357.09747	0.7
358.17068	0.5
367.11700	0.9
372.12531	0.8
373.12949	2.2
387.14551	3.5
388.14981	1.0
388.20462	0.5
403.14169	1.1
417.15674	2.0
419.11319	1.0
435.16434	0.6
484.67047	0.6
533.18030	0.8
551.19287	5.7
552.19696	1.3
563.19135	3.5
564.19745	0.7
581.20300	35.2
581.28552	1.7
582.20667	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25304	0.4
59.01249	22.2
61.98689	1.6
62.38775	0.4
63.27470	0.4
66.42482	0.4
71.53599	0.6
78.95774	38.5
79.95561	0.6
80.96375	2.3
92.62276	0.4
96.95889	6.9
96.96837	1.0
98.95448	0.5
99.92458	2.1
109.31894	0.4
115.91954	8.1
116.91980	0.6
116.92744	6.1
122.98446	0.6
124.95051	0.4
150.97928	1.1
152.99493	8.1
164.90359	0.4
168.04240	2.8
171.00537	2.1
171.67665	0.4
172.95363	1.0
178.88345	1.0
179.89122	7.8
180.89908	4.9
181.90636	0.8
194.87758	0.6
196.89415	11.4
205.90654	0.7
206.91481	0.5
208.89464	0.5
219.92365	0.4
221.90282	0.8
224.06888	8.5
235.91777	2.6
236.90343	0.7
236.92555	5.9
242.07909	2.0
252.92044	0.6
255.23201	0.5
270.93292	0.5
276.95834	0.6
281.24838	100.0
282.25198	9.6
292.95212	0.7
310.96179	1.0
473.13754	1.3
490.14297	1.7
506.32489	62.1
507.32883	9.4
533.15906	0.9
545.15875	1.1
563.17139	1.1
580.28473	2.5
581.18219	15.6
581.27704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
63.96122	0.8
69.03327	0.3
69.82269	1.7
71.01251	7.5
73.02823	1.9
78.98457	5.4
79.10510	0.4
79.44999	0.3
79.95602	8.8
80.96387	62.1
81.03316	0.5
83.01276	0.3
85.02829	3.0
87.00741	2.6
94.97958	14.4
95.98279	0.3
96.95879	2.6
97.02825	1.3
98.19872	0.5
99.00784	0.7
101.02332	2.1
106.97958	2.5
113.02335	0.5
119.47945	0.3
122.97470	3.1
125.02312	2.4
127.03914	0.7
134.97481	4.1
136.99008	1.6
148.99062	4.2
152.98538	5.5
164.98534	12.0
167.00066	0.4
202.17300	0.3
206.99629	2.2
225.00693	12.4
247.61665	0.3
255.23228	0.5
256.11267	0.4
279.23111	1.6
281.24808	0.5
299.04358	2.7
323.92404	0.3
579.28406	100.0
580.28705	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	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.5
61.98700	100.0
62.98399	0.2
62.99125	0.1
69.95557	0.1
78.95783	0.5
83.64178	0.1
84.36046	0.1
85.29076	0.1
93.88382	0.1
100.90594	0.1
152.99464	0.4
179.79892	0.1
181.00041	0.1
196.93684	0.1
221.34616	0.1
233.42509	0.1
242.08038	0.1
277.21707	2.1
278.22034	1.3
279.22339	0.8
280.22632	0.4
431.22247	0.1
502.29446	0.6
503.29764	0.3
504.30429	0.2
505.30466	0.5
521.71423	0.1
579.30621	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73982	0.9
54.81321	0.9
57.03334	1.4
59.01243	10.0
65.00183	6.0
70.29871	3.3
71.01245	9.6
72.99184	1.1
73.02823	2.8
76.96542	0.9
77.65055	1.0
83.01261	5.6
84.02039	0.9
85.02814	8.8
85.74288	0.9
87.00742	1.4
89.02308	3.5
93.03345	3.2
95.01283	1.4
95.04893	1.1
96.34886	0.9
99.00732	1.4
101.02362	4.9
107.01260	11.2
108.02066	1.2
109.02831	3.3
111.00822	1.5
113.02324	4.1
119.03408	1.2
119.04919	19.6
121.02821	2.1
123.00797	4.3
123.04436	1.3
125.02374	7.5
129.01866	1.3
133.02820	1.5
135.04436	1.4
137.02359	17.0
137.09604	1.0
137.44881	1.3
139.03917	2.2
143.03372	1.3
145.02856	3.2
149.02357	2.6
151.00278	62.6
151.03897	1.5
152.00974	1.8
152.04697	2.2
153.01872	2.3
160.01613	1.6
161.04485	1.7
161.05930	1.5
163.03984	1.3
163.28470	1.0
164.01056	1.4
165.01894	4.0
166.02632	70.3
167.03365	6.9
169.01289	1.6
175.03915	4.1
177.01854	6.5
179.03407	2.4
181.04985	80.0
182.05333	6.1
184.03671	1.2
187.03954	1.8
190.06094	1.0
191.03419	1.6
193.01341	1.9
193.04927	2.4
197.12383	1.2
205.05002	2.3
205.08636	1.0
207.06587	2.3
209.11697	1.3
211.83427	1.0
227.07103	1.3
270.04926	1.3
271.06137	23.9
272.06485	2.7
313.07233	2.6
359.11337	2.4
387.10791	15.6
388.11481	1.6
402.13110	8.2
403.13541	1.5
417.15530	100.0
418.15842	14.2
459.11264	6.6
519.31647	7.5
537.32489	2.4
579.17126	29.7
580.17523	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	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98701	100.0
62.98407	0.1
71.32709	0.2
75.47012	0.1
78.95773	1.0
95.90029	0.1
119.47146	0.1
152.99498	0.3
168.04108	0.1
169.36160	0.1
224.06909	0.2
267.21719	0.1
277.21747	1.4
278.22110	1.0
279.22345	0.6
280.22769	0.3
502.29373	1.0
503.29813	0.4
504.30084	0.3
505.30350	0.7
535.33459	0.1
579.29907	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	579.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40910	1.2
57.03321	1.9
59.01252	17.1
59.59190	1.3
61.98708	6.4
71.01256	7.3
71.08728	2.6
72.99185	2.6
73.02811	3.2
75.00762	1.6
78.95788	1.9
79.01756	20.8
79.95605	1.5
81.03345	2.1
83.01276	1.7
85.02824	12.5
85.06479	3.1
87.00741	2.6
89.02312	4.2
89.03842	1.5
91.02248	1.2
93.03342	5.8
95.01329	1.6
95.04891	1.6
96.95901	2.1
96.96900	1.4
97.02843	2.6
99.00767	1.5
101.02312	6.6
105.03333	1.6
109.02849	2.9
111.04403	2.8
113.02323	4.2
120.99466	1.5
121.02798	1.9
123.00700	1.5
123.04407	3.8
124.01600	2.8
125.02352	8.2
128.03441	1.3
128.47331	1.4
133.02864	12.9
134.03665	3.0
135.04433	21.3
136.01590	1.3
137.02328	14.8
138.02698	2.4
139.03862	1.5
141.01874	1.2
147.02895	1.4
149.01398	1.2
149.02409	9.9
150.03146	24.1
151.03922	69.3
152.04326	2.6
153.01910	1.4
153.05476	27.3
154.05818	1.4
161.02345	2.2
163.03935	1.9
165.05582	2.3
167.03418	2.0
175.03912	2.5
176.01025	2.4
177.01865	32.3
178.02324	2.0
179.03416	100.0
180.03769	6.3
191.01945	3.4
191.05582	1.8
193.04950	7.4
195.06529	3.4
197.04424	2.0
203.06841	1.3
205.05017	10.4
213.05568	1.8
269.04620	2.1
269.07922	1.4
271.06195	2.1
285.04117	2.4
313.07162	10.5
330.07538	2.3
331.08246	6.8
355.10461	9.1
381.08231	4.4
398.47369	1.3
519.31787	8.8
535.14612	48.8
536.15259	9.5
537.32886	3.5
558.72662	1.4
579.15125	1.6
579.24329	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	578.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28112	0.4
59.01205	0.4
61.98703	6.9
69.26897	3.0
73.45770	0.3
83.01270	0.4
83.14803	0.3
83.95474	0.3
91.12614	0.4
94.08962	0.4
109.02844	1.8
119.04916	2.5
132.02113	0.4
133.02840	10.0
133.06473	0.8
134.03163	0.5
151.03951	0.7
161.02342	0.4
162.03156	0.6
163.03906	2.6
164.01007	0.4
175.03929	1.4
177.01868	1.1
187.03882	0.3
189.09103	0.4
201.01860	0.5
211.07716	0.5
213.05432	0.4
217.08524	0.5
227.03409	0.4
229.08736	0.9
231.06606	0.8
231.10266	0.7
239.07143	0.5
253.05026	0.4
259.09753	0.6
261.07828	0.6
267.06735	0.4
267.10242	0.4
269.04520	0.4
279.06387	0.4
283.06110	0.6
284.06830	0.4
295.06012	0.5
297.04062	2.9
298.04828	3.9
299.05188	0.4
309.00793	0.6
309.04056	7.9
310.04532	1.0
311.05606	3.1
312.06412	1.8
323.05566	8.7
324.06073	2.1
337.06943	0.5
339.05200	2.4
344.05307	1.4
351.08743	0.8
353.10297	4.5
365.10278	10.9
366.10748	1.7
367.11801	7.8
368.12061	1.0
377.10385	0.7
379.11871	1.0
393.09671	1.3
395.11328	100.0
396.11670	13.4
407.11298	2.0
408.11859	0.4
425.12439	20.1
426.12784	2.8
437.12430	1.9
461.12317	1.0
515.15558	61.1
516.15863	11.0
579.27124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00615	0.4
54.34332	0.4
55.24536	0.5
59.01252	21.6
59.97720	0.4
60.01590	0.5
61.33173	0.5
61.98698	0.8
64.32087	0.4
69.87456	1.7
71.01259	2.2
73.02838	0.6
78.95776	20.3
78.98477	1.4
79.95614	2.1
80.96390	18.9
81.03320	0.6
82.95986	1.7
85.02807	0.9
86.03198	0.5
94.97955	4.1
96.96871	0.6
96.97516	0.4
101.02335	0.7
106.98005	0.8
107.35980	0.5
107.48508	0.5
122.37411	0.5
122.97495	0.8
132.56523	0.5
134.97496	1.3
148.99065	1.8
152.98448	0.8
152.99522	2.7
164.98529	2.4
165.51779	0.5
168.04248	3.3
197.74611	0.5
224.06894	9.0
225.00685	2.5
226.01004	0.7
228.83656	0.5
242.08066	2.3
279.23282	100.0
280.23630	9.9
299.04373	0.6
376.96240	0.6
404.67441	0.5
504.30975	59.4
505.31372	10.8
578.27161	27.8
578.36420	0.7
579.27112	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	13.9
68.19041	1.2
71.01254	2.9
79.79250	1.1
89.02301	2.9
95.29141	1.1
101.02328	3.3
113.02338	1.5
208.82039	1.1
235.08102	1.7
247.80074	1.2
249.47446	1.1
253.09276	13.0
281.24860	100.0
282.25241	11.3
294.79861	1.3
309.53329	1.1
577.26770	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89774	4.6
59.01249	100.0
59.61942	5.1
61.98685	7.3
68.81879	5.0
71.01270	7.0
71.53588	8.9
78.95782	6.7
79.95596	5.3
80.14071	5.1
80.96384	15.0
89.02346	7.8
91.03874	53.8
107.25970	5.3
110.14159	5.0
120.96024	5.2
125.48906	5.3
193.27383	5.4
229.64919	6.7
276.04272	6.1
280.53052	5.6
299.04333	8.0
307.30032	45.2
351.28915	24.7
352.28909	5.8
357.43442	6.0
369.30215	26.5
425.32782	35.4
443.33551	29.7
577.26587	19.4
578.26923	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	577.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
61.98700	14.6
63.69365	0.6
63.96101	1.7
68.34188	0.6
69.03316	0.6
69.17162	0.5
69.40160	4.5
71.01259	8.7
73.02828	1.9
74.43584	0.7
78.98461	6.2
79.95602	12.8
79.96030	1.0
80.96387	76.0
83.01257	0.8
85.02802	2.7
87.00755	3.0
94.97959	16.5
94.98569	1.0
96.95873	1.7
97.02831	1.2
98.20567	1.1
99.00775	0.9
100.65115	0.6
101.02322	2.2
106.97952	3.9
122.97470	3.8
125.02333	2.0
127.03892	1.1
134.97484	4.1
136.99049	1.5
148.99039	6.2
152.98532	6.0
164.98546	9.8
206.99556	1.4
225.00693	12.5
230.11530	0.6
235.98625	0.6
277.21689	1.2
299.04388	2.0
569.15546	0.6
577.26849	100.0
578.27148	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99648	0.2
52.38749	0.2
57.03323	0.3
59.01249	2.2
61.98705	1.7
69.81742	1.0
71.01250	1.5
72.99171	0.3
73.02811	0.4
75.62390	0.2
83.01249	0.3
85.02805	1.1
87.00710	0.3
89.02317	0.4
92.04953	0.4
93.03333	35.1
94.03686	1.3
98.19743	0.2
99.00732	0.5
101.02325	0.9
109.02872	0.4
113.02308	0.8
125.02354	1.2
133.02927	0.3
135.04352	0.3
136.03929	1.8
137.02339	100.0
138.02679	4.4
148.05211	3.8
149.02298	0.4
149.05511	0.3
161.02386	0.6
161.04465	0.4
163.03894	0.4
163.07585	1.9
175.03934	0.4
177.02023	0.3
178.99739	0.2
191.05605	0.6
262.89215	0.2
290.47754	0.3
407.07425	0.3
439.16052	0.5
457.17169	0.5
517.30469	0.4
533.30371	0.4
572.01129	0.3
577.19385	1.5
577.33130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03327	3.7
59.01247	4.0
61.16943	0.7
61.89399	0.7
65.00155	0.8
69.03313	1.5
71.01250	3.7
71.53815	1.0
72.46492	0.7
72.99177	26.0
73.02814	1.0
75.00745	0.9
78.92635	0.6
79.01737	0.8
80.49668	0.8
83.01256	1.3
85.02818	14.0
87.00729	1.0
93.03335	51.0
94.03687	1.6
95.01251	0.8
99.00742	1.5
101.02317	1.5
109.02851	1.7
113.02316	4.5
117.03346	1.7
117.30087	0.7
119.04915	100.0
120.05247	4.6
120.99552	1.4
121.02844	3.3
123.04424	0.9
125.02339	4.7
129.01836	1.6
133.02870	0.8
134.03629	1.5
135.04445	1.5
135.15308	0.8
137.02342	60.2
138.02672	2.9
145.02838	4.7
147.02927	1.8
147.04317	1.7
149.02353	8.5
151.00293	1.1
151.03889	1.8
161.02298	2.2
162.03108	1.7
163.03918	70.8
164.04536	6.5
165.81915	0.8
175.03784	0.8
177.01768	0.9
179.03413	1.2
187.03905	0.7
191.01872	4.0
191.03409	1.0
205.04979	1.9
208.03667	0.9
209.02975	1.5
219.06580	1.4
223.06055	6.7
233.08205	2.1
235.06131	1.3
247.06082	1.1
255.02953	0.9
256.03448	0.8
265.07410	0.9
277.07324	4.1
289.07141	1.9
300.02734	0.9
307.08118	1.7
341.23257	0.8
439.12433	16.2
440.12640	1.9
441.12329	1.1
457.07614	1.4
457.13498	16.7
458.14084	2.5
501.13876	1.6
562.19092	0.8
577.15594	23.4
578.16211	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	577.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03705	0.5
53.00205	0.5
55.01762	0.6
57.03318	4.6
59.01244	3.9
61.98708	0.8
64.18116	0.6
67.01765	0.7
68.99670	0.9
69.03324	1.3
70.73862	0.9
70.74214	0.7
71.01241	2.2
73.02815	1.6
79.01781	0.6
81.03323	9.6
83.01254	14.0
85.02815	4.6
91.02332	0.5
93.03345	3.2
95.01272	1.8
95.04907	7.2
97.02821	6.1
99.00771	0.5
99.04385	3.4
101.02309	0.9
105.03339	0.6
106.24368	0.5
107.04927	2.9
108.02053	1.2
109.02847	6.9
109.06474	0.9
110.83609	0.6
111.00765	1.4
111.04405	2.5
113.02323	2.5
119.04900	2.8
121.02847	5.8
121.06490	1.0
122.03617	2.0
123.00717	0.7
123.04409	22.0
124.01565	0.8
124.04707	0.6
124.38836	0.5
125.02339	25.9
126.02657	2.0
131.04872	0.6
133.02802	0.8
133.06480	0.9
134.03633	0.5
135.04411	5.0
137.02339	7.8
137.05966	8.7
139.03902	10.7
141.05493	1.6
143.04889	0.6
145.02826	0.6
147.04424	1.9
149.02348	2.7
149.05977	2.0
150.03116	0.7
150.12886	0.6
151.03911	6.1
151.07593	0.9
153.01862	0.8
153.05501	1.4
155.03377	0.9
159.04427	1.1
161.02324	4.9
161.06023	2.5
163.00261	1.0
163.03934	4.9
163.07579	0.8
164.01025	1.2
164.04626	1.7
164.20306	0.5
165.01854	5.6
165.05489	5.4
167.03407	36.2
168.03804	1.4
175.03912	2.5
177.01859	1.9
177.05481	3.0
179.03412	10.7
179.06996	1.1
180.04147	1.9
181.05013	2.5
187.03929	1.3
188.04655	0.6
189.05466	2.2
191.03424	2.4
191.06955	0.7
192.03947	0.8
193.05000	5.3
194.05733	0.6
197.04489	4.0
201.05519	1.0
203.03459	0.9
203.07036	1.4
205.01337	0.9
205.04950	1.5
206.02045	0.7
207.02992	0.8
207.06561	2.2
208.03676	0.8
209.04495	50.7
210.04880	3.2
219.02892	1.4
219.06470	0.9
220.03532	0.7
221.04517	11.0
222.04919	1.1
223.06032	1.4
233.04517	2.2
235.06125	3.2
239.05576	15.3
240.05934	0.6
243.03159	0.8
243.06462	0.6
244.03413	0.6
245.04584	2.6
245.08136	1.6
248.03197	1.5
249.03931	1.4
251.05580	100.0
252.05930	6.2
255.02992	1.2
261.03827	0.6
263.05603	4.9
265.07178	1.5
269.06720	2.0
281.06656	64.6
282.06970	5.3
283.14685	0.5
287.05524	1.1
289.07214	7.4
290.07605	0.8
293.06662	4.7
299.05606	0.9
305.06638	1.6
311.07715	19.2
311.11313	1.3
312.08121	1.5
317.58881	0.5
323.07697	1.2
331.08197	0.6
335.07870	2.1
341.08746	0.9
353.08701	3.6
365.08783	1.0
371.09821	17.0
372.10117	1.8
383.09732	1.7
395.09875	1.4
401.11176	1.0
407.07483	3.2
413.10858	4.2
414.11084	0.6
425.09711	1.7
443.11807	1.1
451.10434	0.8
457.09616	1.0
491.13992	3.2
532.56732	0.7
533.15002	2.1
577.13934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16478	0.4
57.03323	14.1
59.01259	2.6
65.03825	0.3
67.10243	0.3
69.03332	2.3
69.53104	2.2
71.01256	1.2
81.03339	1.9
83.01250	4.2
85.02830	2.4
85.88331	0.3
89.02357	0.7
89.03815	0.4
93.03339	1.6
95.01246	0.8
95.04915	1.8
97.02827	3.6
99.04368	0.4
101.02324	0.6
105.03330	0.7
107.04916	1.1
108.02050	1.0
109.02836	15.7
110.03206	0.4
113.02319	1.2
117.03349	0.6
121.02830	3.1
122.03640	1.1
123.04408	11.3
124.01568	0.4
125.02335	100.0
126.02663	3.3
129.01842	0.5
131.04948	0.7
133.02840	3.9
133.06401	0.4
135.04408	2.4
137.02336	20.0
138.03146	0.5
139.03899	2.8
145.02853	1.1
146.03714	0.6
147.04427	0.7
149.02341	4.7
149.04341	0.4
150.03070	1.3
151.03909	10.5
152.04309	0.4
159.04424	2.5
160.05142	0.8
161.02353	23.8
161.05966	3.1
162.03076	2.2
163.00273	1.1
163.03949	2.0
164.01057	4.0
164.46931	0.3
165.01845	4.6
166.02486	0.4
167.03363	1.2
173.06001	0.8
175.02475	0.7
175.03905	6.5
175.07555	1.1
176.04428	0.5
177.01854	5.4
177.05490	1.2
178.02588	0.8
179.03419	3.6
183.04526	0.4
185.00867	1.0
185.05994	0.8
187.03923	6.2
188.04733	3.0
189.05475	0.7
190.02655	0.4
191.01830	0.9
191.05499	1.3
193.04958	0.5
200.04623	0.4
201.01895	0.3
201.05513	1.6
202.06329	1.2
203.03476	1.5
203.07063	7.6
204.07382	0.7
205.01407	2.0
205.04999	5.6
211.03993	0.9
212.04655	0.6
213.05516	0.7
214.02647	0.7
215.03386	1.1
217.05013	1.3
217.08586	0.6
221.08151	1.9
225.05463	0.6
227.03467	1.1
227.07066	1.6
228.04138	0.8
229.05022	2.6
230.05682	0.8
231.02853	0.7
231.06573	0.5
241.05042	0.5
243.02922	1.7
243.06590	1.0
245.04538	3.4
245.08148	9.7
246.08469	1.0
247.06052	0.6
248.06361	0.4
253.04997	0.6
255.02968	5.2
255.06656	0.8
256.03738	4.2
257.04453	1.6
269.04587	1.4
271.06015	1.1
273.04065	4.8
281.04523	2.8
283.02423	1.2
285.03967	1.8
287.05569	5.5
288.02927	0.5
288.05917	0.7
289.07166	53.2
290.07507	4.3
297.04004	0.6
297.07550	0.5
299.05634	5.5
300.05939	0.7
328.05832	0.4
329.06686	1.1
339.08774	3.3
341.06470	0.5
381.09851	1.9
389.06479	0.4
407.07697	38.5
408.08029	4.0
409.08929	0.4
411.10666	0.4
425.08746	14.9
426.09000	1.9
437.09094	0.5
449.08292	0.4
451.10349	9.5
452.10367	1.2
475.21878	0.5
559.12457	0.6
577.13409	5.2
578.13464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28850	0.5
57.03326	14.4
69.43376	0.9
69.43782	2.5
81.03322	1.4
82.22900	0.5
83.01250	4.1
85.02817	1.5
93.03358	0.8
95.01292	0.5
95.04895	1.9
97.02821	3.6
107.04904	0.9
109.02834	13.8
112.93610	1.2
114.30997	0.5
121.02827	1.5
123.04408	9.7
124.01496	0.5
125.02337	100.0
126.02708	4.0
131.04880	0.6
133.02850	2.4
135.04399	1.8
137.02345	18.3
138.02852	0.6
139.03914	2.3
143.04942	0.7
145.02815	0.8
146.03574	0.6
147.04411	1.0
149.02364	3.2
150.03090	1.2
151.03926	8.7
152.04277	0.9
157.32599	0.4
159.04408	2.3
161.02350	22.3
161.05911	2.4
162.02969	1.5
163.00285	1.4
163.03961	2.4
164.01062	3.6
165.01797	4.4
167.03423	1.7
173.05963	1.1
174.03140	1.0
175.03918	5.9
175.07570	1.3
177.01842	5.1
177.05537	0.8
179.03384	3.6
184.05234	0.5
185.02492	0.5
185.06021	1.1
187.03935	4.7
188.04683	2.1
191.01813	0.7
191.03383	0.7
199.04018	0.8
199.07602	0.7
201.05470	1.2
202.06216	0.9
203.03450	1.3
203.07050	7.2
205.01500	0.8
205.05019	5.0
209.11723	0.7
211.04091	0.8
212.04643	1.0
213.05605	0.6
215.03459	0.9
217.05054	1.2
219.06627	0.6
221.08221	1.1
225.05324	0.6
227.07095	1.4
229.04984	2.5
243.02988	1.9
243.06458	1.0
245.04477	3.1
245.08138	7.8
246.08398	0.7
255.03038	3.6
255.06755	0.6
256.03711	2.5
257.04568	1.4
269.04590	1.9
271.06140	1.8
273.04025	4.8
281.04599	1.7
283.02380	0.9
285.04108	1.9
287.05649	7.0
288.02982	0.6
288.05890	1.0
289.07181	58.4
290.07495	5.2
297.04007	0.6
299.05600	5.2
300.05975	0.7
300.15186	0.6
305.06638	1.7
306.27939	0.5
328.06015	0.6
329.06631	1.1
339.08575	2.5
381.09747	1.8
407.07706	43.0
408.08035	4.6
425.08801	17.8
426.08997	2.1
449.08917	0.5
451.10394	11.9
452.10675	1.1
559.12360	1.2
577.13483	6.1
578.14172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.4
59.01238	3.5
69.03318	5.6
71.01249	3.6
71.53544	2.0
81.03339	3.8
83.01236	5.9
85.02820	18.0
89.02325	2.4
93.03318	4.8
95.04867	2.6
97.02818	6.3
107.04939	1.6
109.02837	16.5
111.04399	1.6
112.93583	1.9
121.02832	3.3
123.00761	4.4
123.04385	8.1
125.02337	100.0
126.02643	3.8
129.01790	3.8
133.02846	2.9
135.04398	5.7
136.04860	2.0
137.02338	40.4
139.03937	12.4
146.14365	1.7
147.04407	2.2
149.02327	5.1
151.03944	8.5
161.02356	14.5
162.02814	2.6
163.00261	2.8
163.03812	2.8
164.01057	8.3
165.01866	14.4
167.03433	13.5
175.03935	7.7
177.01854	8.6
177.05484	3.2
179.03406	17.5
185.00890	1.9
187.03935	2.7
191.01840	7.3
191.07071	2.2
197.95979	1.9
201.05382	2.1
203.03404	3.2
203.07108	3.9
204.04115	2.2
205.01369	3.8
205.04912	3.5
219.06624	11.2
221.04462	4.0
236.03467	2.2
243.02856	2.9
245.04523	2.0
245.08127	3.5
255.03018	4.5
256.03671	2.2
261.07690	3.8
271.06271	4.0
273.07501	3.4
283.02472	2.3
287.05490	2.9
289.07141	19.8
290.07416	2.3
293.33661	1.7
297.04099	2.1
299.05716	4.2
305.06677	88.9
306.06927	7.0
337.07178	3.1
367.08130	1.9
400.07068	1.9
407.07568	14.1
408.08035	2.3
409.09232	2.2
423.07117	7.6
425.08664	4.5
451.10062	7.6
452.10123	1.7
577.14233	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	577.1351
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03321	12.4
59.91072	0.4
62.10958	0.5
65.70103	0.5
69.03339	0.5
69.97666	1.5
74.89168	0.6
81.03332	1.8
83.01247	3.5
92.32415	0.5
93.03339	1.5
95.01299	0.7
95.04907	3.5
97.02830	3.8
101.08998	0.4
107.04887	1.6
108.02058	1.2
109.02839	18.1
110.03186	0.5
117.03335	0.5
119.04972	0.6
121.02841	3.3
122.03599	1.6
123.04408	14.3
124.01540	0.7
125.02336	100.0
126.02683	2.5
131.04980	1.2
133.02847	3.2
135.04425	2.1
137.02341	19.3
137.57045	0.5
138.02815	0.6
139.03908	2.1
143.04939	0.8
145.02864	1.3
146.03648	0.8
147.04442	1.3
149.02356	5.8
150.03093	1.0
151.03918	11.8
152.04256	0.9
157.06462	0.6
158.03584	0.5
159.04427	3.6
160.05156	0.9
161.02356	25.5
161.05975	3.1
162.03038	2.6
163.00276	1.3
163.03900	3.4
164.01079	4.2
165.01840	5.0
167.03465	1.3
169.06215	0.5
173.05965	1.4
174.03142	0.7
175.03934	9.4
175.07535	1.1
176.04239	0.7
177.01865	4.6
177.05501	1.1
178.02682	0.7
179.03455	4.2
179.04834	0.8
181.04929	0.5
183.04436	0.6
185.06053	1.1
187.03949	6.0
188.04684	3.5
189.05544	1.3
191.03415	0.7
193.04953	0.8
195.48540	0.5
199.03963	0.8
201.05453	1.2
202.06299	1.6
203.03481	1.7
203.07074	9.7
205.01440	2.5
205.05009	6.5
211.03912	1.0
212.04697	0.9
213.05608	1.1
215.03458	1.1
216.04224	0.6
217.05031	1.7
217.08401	0.6
219.02948	0.8
219.06714	0.7
221.08199	2.3
225.05714	0.5
227.03482	1.4
227.07169	2.0
228.04164	0.7
229.05017	2.5
230.05760	1.5
231.02962	1.4
243.03036	2.2
243.06691	1.2
244.03719	0.6
245.04535	5.1
245.08165	11.8
247.06149	1.3
253.05180	0.7
255.02950	8.4
256.03708	4.2
257.04510	2.4
269.04599	2.4
271.06158	0.6
273.04001	5.0
281.04584	2.6
282.01831	0.8
283.02505	1.9
284.03128	0.7
285.04190	2.8
287.05634	9.4
288.05963	0.8
289.07184	72.6
290.07526	7.1
297.04205	1.1
299.05609	6.2
326.85876	0.6
329.06699	2.0
339.08789	3.5
341.06857	0.8
381.09842	2.6
389.06305	0.7
407.07703	60.3
408.08133	7.4
425.08734	18.4
426.09100	2.5
451.10272	12.7
452.10718	2.2
487.27554	0.5
559.12292	1.1
577.13464	6.0
578.13983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
56.19440	0.9
57.03325	11.5
62.57581	0.9
71.09533	2.0
78.08185	1.0
81.03314	1.7
83.01252	4.0
83.43729	0.9
85.45614	0.8
93.03324	1.0
95.04889	2.8
97.02861	4.5
107.04873	1.1
109.02828	18.3
121.02818	2.5
122.03642	1.5
122.79715	1.0
123.04405	13.8
125.02332	100.0
126.02628	2.2
127.34885	0.8
133.02800	3.4
133.11703	0.8
135.04402	2.6
136.44801	0.8
137.02350	21.0
139.03934	2.4
145.02826	0.9
149.02342	4.7
149.06068	1.1
150.03151	1.3
151.03915	13.0
159.04416	2.9
161.02339	25.8
161.05968	3.8
162.02988	2.7
163.00224	2.1
163.03906	2.2
164.01038	4.4
165.01862	5.2
167.03354	1.5
175.03934	10.8
175.07504	1.7
177.01840	5.5
177.05484	1.1
179.03407	5.0
179.04732	0.9
187.03905	6.5
188.04651	3.5
188.95224	1.0
201.05522	2.3
202.06273	1.4
203.03494	1.9
203.07037	8.2
205.01506	1.9
205.04953	7.7
211.04063	1.1
214.02611	1.0
215.03481	1.3
217.04936	1.4
221.08112	1.7
227.03238	1.2
227.07080	1.8
228.04218	1.3
229.05009	2.3
242.02261	0.9
243.02959	3.5
243.06622	1.4
245.04500	6.2
245.08154	12.9
253.05046	1.0
255.02939	7.2
256.03668	5.1
257.04407	2.5
269.04642	1.8
273.04025	4.2
281.04401	3.5
283.02682	1.6
285.04047	3.5
287.05673	7.8
287.91788	1.1
288.02893	1.2
289.07159	69.2
290.07397	6.4
299.05566	7.4
300.06097	1.1
329.06607	1.6
339.08701	3.9
381.09656	2.2
407.07684	60.8
408.08041	7.8
425.08710	17.7
426.09119	2.1
451.10309	13.2
452.10385	2.6
559.12146	1.2
577.13452	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34763	0.3
53.58114	0.3
59.01249	27.3
62.96251	0.4
63.26555	0.3
67.17246	0.2
69.43510	1.7
71.01263	0.3
76.28160	0.3
78.95772	29.3
79.95614	0.3
80.96391	0.4
83.04886	0.4
96.96845	0.6
98.20528	0.3
122.98409	0.5
127.07546	0.3
152.99495	4.3
168.04219	4.6
194.05811	0.5
224.06866	10.8
225.07138	0.4
233.22675	0.5
236.60931	0.2
242.07974	2.8
259.20547	0.6
275.20190	0.5
277.21698	100.0
278.22046	9.9
284.64340	0.2
323.84216	0.3
475.62485	0.3
502.29379	63.7
503.29709	10.4
577.26495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	16.7
61.28992	0.8
67.01776	0.9
70.11868	0.8
71.29621	0.9
71.29949	0.9
76.71394	0.7
81.03336	2.3
83.01248	4.8
93.03356	1.6
95.04908	3.0
97.02840	5.1
98.33319	0.7
101.82638	0.8
107.04893	2.1
109.02841	21.3
117.03348	1.1
121.02824	4.5
121.13436	0.8
122.03681	1.9
123.04410	15.4
124.04809	1.0
125.02339	100.0
126.02669	3.5
131.04944	1.2
133.02878	4.7
135.04422	2.4
137.02342	19.0
139.03944	4.0
143.04964	1.6
146.03629	1.0
147.04485	0.8
149.02322	5.9
150.03053	1.3
151.03918	13.2
159.04419	3.2
160.05232	1.3
161.02354	27.6
161.06068	4.3
162.02965	2.9
163.00261	2.5
163.03896	2.8
164.01012	3.9
165.01823	5.0
167.03387	1.3
168.75385	0.8
169.06160	0.7
173.05963	1.4
175.03926	8.7
176.01138	1.0
176.04288	0.9
177.01874	6.8
177.05510	1.0
179.03374	4.0
187.03943	8.9
188.04680	3.1
189.05344	0.9
200.04758	0.8
201.05598	2.5
202.06274	1.5
203.07071	12.0
205.01376	2.7
205.05017	8.6
211.03938	1.4
213.05579	1.6
215.03442	1.9
217.05002	1.7
219.03000	0.8
221.08180	2.3
227.03464	2.8
227.07077	2.5
229.05025	3.4
230.05615	0.8
231.02882	1.0
235.29979	0.8
243.02892	2.4
245.04572	5.0
245.08174	13.9
247.06137	1.7
255.02968	9.6
256.03751	4.8
257.04453	2.0
269.04544	2.4
273.04028	3.8
281.04556	2.7
283.02393	2.2
285.04037	3.4
287.05630	5.8
288.06012	1.0
289.07175	58.9
290.07629	4.9
297.04071	1.4
297.07565	1.3
299.05652	5.2
339.08688	3.6
381.09814	2.8
407.07709	59.2
408.08069	6.6
425.08755	18.6
426.09155	2.2
442.61703	0.9
451.10202	9.0
485.35541	0.9
577.13428	4.7
578.13849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62557	0.2
57.22752	0.3
59.01243	0.4
59.21934	0.2
61.98703	100.0
70.14010	1.0
71.01260	0.3
79.95621	0.2
80.96389	1.8
113.72353	0.3
115.94073	0.3
139.21303	0.2
148.99147	0.2
164.98552	0.5
193.51259	0.2
225.00871	0.4
244.53876	0.3
277.21750	0.7
278.22107	1.2
279.22513	1.0
318.33429	0.2
410.12891	0.3
577.26837	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.9
60.46566	0.4
61.98703	100.0
63.96117	0.7
69.23575	4.0
69.97397	0.4
71.01263	3.5
73.02824	0.7
78.95773	9.6
78.98467	2.9
79.95601	5.7
80.96391	35.2
81.03381	0.4
85.02847	1.7
87.00752	1.0
94.97957	7.3
96.96836	0.6
97.02876	0.8
98.19761	0.7
99.92474	1.0
101.02322	0.9
106.97984	1.6
107.03006	0.4
115.91991	1.4
116.92738	0.9
122.42298	0.4
122.97495	1.5
125.02333	1.3
134.97429	2.0
136.99034	0.5
148.99062	2.7
152.98486	2.6
152.99525	1.9
153.83322	0.4
164.98541	5.7
179.89156	1.5
180.90016	0.7
196.89442	3.0
206.99612	1.0
214.04964	0.7
218.75597	0.5
225.00674	5.6
235.92062	0.4
277.21594	2.6
278.22208	0.9
279.23199	2.2
299.04510	1.6
347.25864	0.7
379.28540	8.0
380.28888	1.3
485.16309	0.5
540.17950	0.5
558.20331	0.4
576.19989	2.4
576.33728	0.9
577.26880	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76931	0.1
59.01250	21.0
60.01580	0.2
61.98701	0.4
71.00803	0.2
78.95776	7.3
83.04909	0.2
83.80886	0.1
96.96861	0.2
125.02356	0.1
152.99495	1.7
168.04210	1.9
200.03638	0.1
224.06898	1.2
233.22749	0.4
242.07967	3.6
259.20630	0.5
275.20166	0.4
277.21707	100.0
278.22073	9.7
294.46732	0.2
298.96198	0.1
304.98682	0.1
459.24292	0.1
502.29382	28.2
503.29669	4.2
523.18225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.1
57.03325	6.4
58.00475	2.2
59.01250	100.0
60.01598	1.3
61.98721	1.0
69.03329	3.5
71.01254	65.5
71.04921	0.6
71.53791	0.7
71.54188	0.9
72.01616	0.8
72.99181	6.7
73.02818	17.4
75.00750	10.9
80.38770	0.6
81.03339	1.5
83.01254	14.4
83.01710	0.9
85.02821	57.0
86.03166	1.3
87.00751	38.2
87.04417	2.5
89.02319	35.7
92.79478	0.5
95.01273	5.3
95.01768	0.6
96.95905	2.7
97.02820	6.3
99.00756	7.5
99.04445	0.8
99.92466	3.1
101.02324	62.6
102.02672	1.5
109.02826	1.3
111.00821	0.8
113.02330	31.5
115.03883	3.0
115.91979	4.1
116.92735	4.5
118.98001	0.6
119.03389	14.1
121.02879	0.9
123.00776	1.1
124.01558	14.3
124.02411	0.8
125.02337	21.4
129.01862	1.5
131.03413	2.1
135.04393	1.0
137.02373	1.0
137.09630	0.9
139.00275	0.8
143.03404	25.4
144.03751	1.1
145.04993	1.4
149.02417	0.8
149.04451	0.7
153.01836	0.8
159.02869	4.7
161.02373	2.2
161.04463	32.4
162.04819	0.9
167.03519	1.0
173.13321	2.9
175.11180	0.7
177.01871	0.8
177.12746	0.7
179.05531	15.2
180.05899	0.7
185.00922	0.7
189.12790	3.5
195.13852	0.7
203.05576	1.6
205.03511	1.6
207.13925	2.3
209.15410	0.8
221.06633	3.8
235.08224	11.0
249.15010	1.7
251.03897	0.9
263.07684	11.0
267.15936	3.5
274.04810	0.7
283.06021	1.1
285.04095	1.4
299.05850	0.7
305.08884	1.0
311.06003	0.7
371.20844	2.2
413.21570	1.1
515.24854	4.8
516.25769	1.0
533.26025	29.7
534.26392	4.9
557.00647	1.5
558.00854	0.9
575.00525	0.7
575.13855	1.4
575.26996	3.2
576.17090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
59.01250	13.7
61.98699	0.9
62.18047	0.3
68.44958	0.3
71.01257	2.1
71.24550	0.6
73.02807	0.6
77.54950	0.4
82.03500	0.4
83.01270	0.5
85.02843	0.4
89.02304	3.4
91.65768	0.3
94.90269	0.3
101.02324	2.9
113.02316	1.5
119.03410	0.9
152.99582	0.5
161.04413	1.1
235.08221	2.1
236.99405	0.4
253.09267	13.5
254.09546	0.7
279.23276	100.0
280.23605	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27685	0.5
55.01757	1.1
57.03323	2.3
58.00483	2.5
59.01249	100.0
60.01584	1.0
69.03329	1.7
71.01251	56.9
72.01582	1.0
72.99178	3.9
73.02818	21.0
75.00760	1.2
79.95630	0.5
80.96405	0.8
83.01250	7.9
85.02821	15.3
87.00762	2.3
89.02316	47.1
90.02649	1.2
90.48262	0.5
95.01266	5.0
97.02841	1.3
99.00738	0.6
101.02320	42.8
102.02673	0.8
113.02332	35.8
114.02692	1.7
119.03386	18.9
119.04254	1.0
125.02329	3.8
131.03384	6.1
135.04391	0.6
137.02390	0.6
143.03407	7.6
149.04465	5.3
155.03400	0.8
161.02434	1.0
161.04462	12.6
179.05507	7.2
179.06937	0.5
185.00908	1.0
191.01941	0.6
203.05577	0.8
213.12411	0.5
221.06650	1.8
245.51965	0.5
251.04158	0.9
327.05243	1.7
447.09451	1.3
453.67276	0.5
534.55414	0.5
593.20691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02266	1.0
55.01760	4.1
57.03315	1.0
59.01241	2.0
61.97406	0.8
63.02269	0.9
65.00174	0.8
67.01783	1.0
67.05502	0.7
69.03326	100.0
69.17390	3.7
69.17819	4.2
70.03654	2.4
71.01247	2.8
72.99186	2.3
75.44697	0.9
79.01770	0.8
83.01273	1.6
85.02820	7.1
89.74753	0.9
93.03275	1.0
95.01252	3.2
96.95882	7.4
97.02835	21.2
99.00751	24.9
100.01080	1.0
107.01230	1.4
109.02863	0.9
113.02322	2.2
122.40707	0.8
123.00765	1.7
125.02330	3.6
128.79028	0.8
133.02821	1.7
134.03630	2.7
135.04408	1.4
137.02332	3.4
141.01831	7.5
149.02354	1.5
150.03078	1.3
151.00319	4.6
153.01888	1.0
164.03389	0.9
165.01929	1.4
177.01772	2.0
178.99759	5.6
185.00838	57.4
186.01230	1.7
191.01889	1.9
193.01312	1.0
193.03374	1.0
193.04988	2.3
220.02274	0.8
232.02463	1.6
251.04018	2.9
285.03964	3.2
297.03992	1.0
301.03574	2.0
323.04617	0.8
341.10159	1.4
363.06259	1.1
371.10867	1.2
381.07309	4.4
397.47919	0.8
399.08411	3.9
461.06998	1.2
575.13287	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	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02266	1.0
55.01760	4.1
57.03315	1.0
59.01241	2.0
61.97406	0.8
63.02269	0.9
65.00174	0.8
67.01783	1.0
67.05502	0.7
69.03326	100.0
69.17390	3.7
69.17819	4.2
70.03654	2.4
71.01247	2.8
72.99186	2.3
75.44697	0.9
79.01770	0.8
83.01273	1.6
85.02820	7.1
89.74753	0.9
93.03275	1.0
95.01252	3.2
96.95882	7.4
97.02835	21.2
99.00751	24.9
100.01080	1.0
107.01230	1.4
109.02863	0.9
113.02322	2.2
122.40707	0.8
123.00765	1.7
125.02330	3.6
128.79028	0.8
133.02821	1.7
134.03630	2.7
135.04408	1.4
137.02332	3.4
141.01831	7.5
149.02354	1.5
150.03078	1.3
151.00319	4.6
153.01888	1.0
164.03389	0.9
165.01929	1.4
177.01772	2.0
178.99759	5.6
185.00838	57.4
186.01230	1.7
191.01889	1.9
193.01312	1.0
193.03374	1.0
193.04988	2.3
220.02274	0.8
232.02463	1.6
251.04018	2.9
285.03964	3.2
297.03992	1.0
301.03574	2.0
323.04617	0.8
341.10159	1.4
363.06259	1.1
371.10867	1.2
381.07309	4.4
397.47919	0.8
399.08411	3.9
461.06998	1.2
575.13287	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	575.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40570	0.8
52.72484	0.7
55.52528	0.8
57.03324	6.5
59.01248	5.4
61.98696	3.1
63.02272	1.1
65.00197	4.7
65.69322	0.9
68.99699	1.9
70.86877	1.8
71.01250	3.2
72.99182	0.9
73.02819	1.3
75.00739	0.9
81.03332	1.0
83.01260	3.1
85.02814	3.3
93.03336	2.1
95.01251	1.7
95.44208	0.9
96.95920	1.3
97.02814	1.0
99.00772	0.9
101.02317	2.9
107.04871	0.9
108.02045	1.3
109.02832	5.3
109.06464	3.1
111.00752	1.2
113.02335	2.0
119.04875	1.0
121.02843	3.6
122.03603	1.0
123.00774	1.0
123.04409	8.8
124.01556	17.1
125.02328	3.5
125.09614	8.0
133.02856	1.5
133.06483	13.0
135.04396	1.9
137.02353	5.6
139.03899	3.0
148.01523	1.6
149.02338	11.3
149.05969	1.7
149.09605	3.7
150.03064	2.4
151.00298	3.0
151.03876	3.2
151.07545	7.4
152.01067	7.3
153.01801	1.8
159.04408	1.0
160.01567	0.9
161.02347	5.4
163.03867	1.3
165.01817	3.7
166.02609	1.1
167.03346	1.1
173.05927	1.8
174.03130	1.6
175.03912	7.6
175.07536	6.1
176.01047	2.4
177.01851	27.6
177.05516	1.1
177.09113	3.3
178.02499	1.4
178.99777	1.4
179.03394	1.2
188.04652	1.5
189.05440	2.7
190.56615	0.9
191.03389	4.0
191.07043	1.9
193.08626	90.3
194.08902	5.4
198.03151	1.1
199.03877	1.3
201.01822	2.3
203.07062	0.9
205.04965	1.2
205.08588	2.4
211.04015	1.0
211.50948	0.9
214.02583	1.2
216.04155	1.2
217.04974	2.4
217.08638	4.3
219.06575	42.3
220.07085	3.5
221.08136	32.9
222.08508	2.6
225.01825	0.8
229.05072	1.8
230.05811	1.4
231.06488	1.2
233.08138	0.9
237.07556	1.8
240.04207	3.8
241.04887	1.0
243.02933	1.3
243.06532	5.3
244.06990	1.9
245.08171	2.9
246.97777	0.8
247.06071	20.2
248.06511	1.8
249.07651	12.7
255.02966	1.0
256.03723	4.3
258.05246	2.3
261.07550	1.1
263.09189	1.7
267.10193	1.8
273.07526	1.2
281.11658	0.9
283.02539	1.0
284.03220	2.1
285.11252	1.4
289.07230	1.0
299.12894	1.4
309.11334	3.7
327.12332	5.7
343.11862	34.4
344.12100	3.3
347.92996	0.9
353.10287	58.2
354.10565	6.4
367.11868	8.2
371.11334	100.0
371.24347	2.3
372.11661	12.8
377.02997	1.6
395.11346	1.2
409.05588	1.7
423.13000	1.8
425.14474	1.6
451.12283	7.4
452.12408	1.8
453.14120	9.4
454.14542	1.7
472.18408	0.9
531.27795	1.9
541.54559	0.9
547.18030	4.4
557.16626	4.7
575.28625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50158	0.5
57.03325	10.3
59.01240	1.7
61.98700	1.6
63.02281	1.7
65.00196	27.2
66.00518	0.8
68.74915	0.5
71.01259	0.7
81.03329	0.7
83.01260	10.7
95.01257	0.9
95.07832	0.5
107.01273	32.6
109.02842	19.3
109.03605	1.0
110.03194	0.6
121.02831	2.1
125.02337	53.7
126.02683	1.4
133.02866	1.1
134.03641	0.6
135.04425	2.1
137.02309	0.7
145.02843	1.6
146.03670	0.7
147.04411	4.0
149.02341	0.9
149.68170	0.5
151.00275	100.0
152.00606	4.0
159.04437	7.3
161.02344	8.3
162.02931	0.7
164.01010	0.6
165.01799	0.8
169.01379	3.2
169.02719	0.8
169.06523	0.6
170.03770	0.9
171.04414	1.3
173.02351	1.3
173.06044	0.6
174.03061	0.9
175.03885	1.4
177.01845	2.3
183.04497	2.6
183.20869	0.6
185.06023	2.5
187.03873	2.1
187.07631	0.8
189.01787	0.6
189.05573	2.7
190.02632	10.0
191.03293	1.0
193.01402	1.7
193.06354	0.9
194.02151	1.1
195.04460	1.2
197.02359	3.4
197.05994	1.0
198.03171	14.7
199.03763	2.3
200.04620	0.7
201.01958	0.7
201.05551	1.4
203.03384	0.8
207.04500	0.9
209.06004	1.8
211.03963	7.1
212.04778	2.9
213.05522	17.0
214.02431	0.6
214.05968	1.3
215.03465	3.8
216.03880	0.8
217.05014	0.7
220.05220	0.7
221.06013	2.1
224.04738	2.2
225.05545	3.9
226.05922	0.6
227.03506	6.2
227.07016	2.9
228.03868	1.0
229.05003	3.0
230.05373	0.7
231.03020	1.1
237.05539	2.2
238.02637	0.8
239.03416	3.1
239.07137	1.0
240.04144	1.4
241.05020	2.0
243.02930	0.7
245.04518	9.8
246.04945	0.8
248.04721	1.8
249.05521	5.3
250.05949	0.6
251.03523	3.2
252.04173	1.0
253.01427	3.3
253.04987	2.4
254.05823	1.6
255.03056	1.1
255.06622	31.1
256.04166	0.6
256.06940	2.5
257.04565	2.2
260.04987	0.7
263.03427	1.4
264.04300	1.2
265.05011	3.9
266.05527	0.9
267.06616	5.1
268.07318	1.2
269.04550	3.9
269.08075	1.2
276.04208	1.2
277.05038	14.9
278.05511	2.7
279.02982	1.5
280.03680	1.5
281.04584	8.6
282.05035	1.0
283.06119	1.3
285.03912	2.5
286.04709	0.9
291.03284	0.6
291.06549	1.3
292.03763	1.3
293.04590	13.7
293.07864	0.6
294.04984	1.8
295.02612	1.4
295.06073	3.0
296.03192	0.8
297.04053	3.7
298.04761	0.6
299.05585	14.3
300.05826	1.1
303.06570	0.8
307.02533	3.3
308.03174	1.1
309.04095	1.8
311.05603	3.0
311.08975	0.9
313.03549	1.5
315.06516	0.6
317.08331	0.6
318.05173	1.0
319.06131	1.6
320.06912	1.1
321.04056	22.7
321.07455	1.1
322.04489	3.1
322.07956	0.5
323.05661	1.8
324.02676	2.3
325.03531	47.8
326.03857	4.9
327.05096	1.6
333.07733	0.9
335.09366	1.5
337.03564	10.9
337.07214	1.1
338.04056	1.6
341.03000	10.7
342.03699	0.6
343.05637	1.6
346.04941	1.2
347.05573	1.9
349.03552	1.8
354.03827	0.9
359.05444	1.2
359.09338	0.8
360.06223	0.8
361.07236	2.4
363.04868	0.9
365.06711	1.0
367.06082	0.6
377.10312	16.3
378.10559	1.3
385.07288	1.5
389.06577	2.2
401.06461	1.5
403.08200	9.2
404.08347	0.8
407.07663	1.9
415.04590	0.8
421.09253	5.2
422.09500	0.6
429.06198	2.7
433.05670	8.0
434.05569	0.9
447.07220	41.1
448.07379	5.8
451.06735	6.7
452.06906	0.8
463.06509	4.8
505.11066	0.6
511.10385	2.9
512.10803	0.7
529.11365	4.7
555.09442	5.8
556.09558	1.1
573.10364	31.9
574.10809	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	571.0881
Annotation	3,4-Dehydroxanthomegnin
Peak:m/z	Relative Intensity
59.01232	1.2
60.79355	0.8
63.02270	0.8
65.00187	2.2
69.17865	0.7
70.00424	1.4
70.00776	2.9
71.01244	1.0
99.52006	0.6
107.01265	3.1
121.02872	0.8
133.02832	15.4
134.03178	0.8
149.02376	2.1
151.00255	7.5
175.03928	3.8
199.03897	3.0
201.01685	1.6
203.20152	0.7
217.05017	1.4
243.03004	1.0
285.04031	100.0
286.04416	8.7
301.95837	0.9
571.08002	1.7
571.20483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2884
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.68608	0.4
59.01252	0.6
75.43845	0.4
78.95773	77.8
88.15811	0.6
96.96835	15.7
150.97914	0.8
152.99487	68.0
153.99771	1.1
171.00626	0.5
174.18936	0.5
223.00111	2.9
241.01151	35.0
242.01439	0.9
242.89288	0.5
255.23270	80.6
256.23605	6.8
259.02164	1.5
315.04874	11.2
391.22592	6.7
392.22925	0.7
409.23434	1.0
538.95264	0.5
571.28851	100.0
572.29156	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	573.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60743	0.5
57.03316	0.8
59.01253	2.8
61.98701	0.6
63.02245	0.7
65.00198	4.7
69.30353	0.5
69.30679	4.2
71.01254	3.0
75.00735	1.0
77.48013	0.4
78.14934	0.5
83.01265	4.4
85.02815	1.7
87.00746	0.6
89.02320	0.8
95.01247	0.6
96.35169	0.5
99.00745	1.0
107.01272	9.1
107.39207	0.5
113.02343	2.4
125.02365	3.0
137.00555	0.7
137.02312	0.8
151.00278	29.6
152.00607	1.3
153.01842	0.9
163.99263	2.3
165.00079	14.5
166.00386	0.9
169.01324	0.7
180.58842	0.5
187.07578	0.6
195.04579	0.7
203.01938	0.7
207.01051	1.0
230.00481	0.8
231.01187	2.3
239.03651	0.7
245.02618	0.7
255.03014	2.8
256.03894	0.5
257.04483	2.2
273.02249	7.9
274.02643	1.2
277.13571	0.5
283.02499	4.5
284.03268	3.2
285.03976	1.1
299.00027	0.6
314.99762	0.7
317.01236	100.0
318.01529	9.8
359.02405	0.7
396.96948	16.7
397.97330	1.6
493.04468	57.5
494.04727	7.1
573.00018	9.7
574.00635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23722	0.4
55.01768	2.4
55.71638	0.4
57.03324	14.9
59.01258	2.3
67.01769	0.6
67.70976	0.4
68.97182	0.4
68.99687	0.6
71.01250	2.7
71.33239	0.6
71.33607	0.6
72.99181	1.4
75.00292	0.4
75.00700	0.5
76.79177	0.4
83.01260	5.3
84.02053	1.4
85.02822	100.0
86.03167	2.3
87.00754	1.0
89.00198	1.0
91.01749	0.5
101.02342	1.2
106.00437	0.6
109.02809	0.9
111.00766	14.6
121.01968	0.7
121.02842	12.0
122.03167	0.6
123.00769	1.9
123.04444	0.8
125.02348	4.2
127.00255	0.6
129.01828	42.8
130.02150	1.2
136.98714	0.8
137.02303	0.8
138.03101	1.8
139.00278	1.8
139.03888	1.6
147.02885	11.6
147.04066	0.7
151.03912	1.5
153.01881	0.8
153.05496	9.1
154.99748	0.6
161.02400	1.3
164.00987	0.6
166.99774	0.8
173.00832	12.2
177.01872	0.6
179.03513	0.6
182.02101	3.4
188.16917	0.5
191.01921	8.1
191.03578	0.8
196.03777	0.5
197.04482	25.6
198.04831	1.7
209.03009	1.3
219.06613	0.4
222.05379	0.7
237.07619	0.8
244.31352	0.4
265.07172	7.1
266.07669	0.5
288.05951	0.5
289.07294	0.9
327.07208	8.4
328.07697	0.6
371.06064	3.9
389.07184	2.8
390.07935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99859	0.3
55.01745	2.4
57.03323	15.1
59.01244	1.7
61.68902	0.4
68.99691	0.6
69.52371	2.4
71.01254	2.4
72.99169	0.6
75.00766	0.4
83.01260	4.4
83.21621	0.4
84.02042	1.4
85.02822	100.0
86.03160	2.2
87.00733	1.1
89.00200	1.2
91.01743	0.7
95.01249	0.5
99.00784	0.5
101.02306	1.2
103.00246	0.7
106.00509	1.6
111.00762	11.0
121.02844	17.2
122.03169	0.7
123.00761	2.6
125.02350	0.7
127.00272	1.0
129.01828	51.1
130.02165	1.2
136.98734	0.4
138.03145	2.4
139.00240	2.3
139.03899	1.2
140.75511	0.4
147.02887	10.2
153.04236	0.8
153.05478	14.4
154.05785	0.4
154.99763	0.6
166.99751	1.9
173.00821	8.9
174.01337	0.5
182.02159	4.8
191.01889	7.6
196.03687	0.8
197.04483	36.4
197.82866	0.4
198.04799	2.1
209.02994	1.2
211.06020	0.6
222.05336	1.2
237.07669	1.5
251.24001	0.4
265.07147	8.7
266.07578	0.7
309.06299	0.5
311.31647	0.4
327.07172	6.1
328.07550	0.6
371.06110	2.9
389.07224	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	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.2
57.03322	13.8
58.03654	0.3
59.01246	1.5
65.00179	0.6
66.58916	0.3
67.01756	0.3
67.93312	0.2
68.99684	0.7
70.82408	0.4
71.01253	2.3
72.99171	1.0
73.02837	0.7
75.00764	0.5
78.11015	0.3
81.87444	0.3
83.01256	4.8
84.01620	0.3
84.02037	1.6
85.02820	100.0
86.03149	2.4
87.00742	0.8
89.00208	1.1
91.01778	0.3
101.02305	0.8
103.00240	0.4
106.00475	1.0
109.02841	0.3
111.00761	12.3
112.01131	0.4
121.02840	15.3
122.03184	0.6
123.00757	1.6
124.01595	0.3
125.02337	0.5
127.00234	0.8
127.70215	0.3
128.94733	0.3
129.01828	47.6
130.02171	1.3
136.98671	0.5
137.02348	0.4
138.03130	2.7
139.00269	2.9
139.03926	1.6
139.07024	0.3
145.01321	0.6
145.15865	0.3
147.02890	11.6
148.03224	0.5
153.05473	13.5
154.05763	0.5
154.99704	0.7
166.02692	0.4
166.99747	1.2
173.00824	12.0
173.02333	0.6
174.01132	0.4
179.03430	0.4
181.01357	0.3
182.02135	4.0
191.01901	8.2
191.03601	0.6
192.02278	0.3
196.03685	0.7
197.04480	35.7
198.04858	2.3
207.03021	0.3
209.02855	1.3
211.06039	0.8
222.05296	1.5
237.07610	1.6
239.05630	0.4
250.04796	0.4
258.76514	0.3
260.51746	0.3
265.07169	9.2
266.07507	0.4
308.00177	0.3
317.14404	0.3
327.07196	8.8
371.06131	4.6
389.07211	5.2
390.07452	0.5
482.54553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.5
57.03324	15.7
59.01246	2.2
65.00195	0.6
68.99680	0.6
70.37461	1.5
70.37817	0.5
71.01252	3.0
72.99181	0.7
73.02821	0.9
83.01255	5.7
84.02032	2.1
85.02819	100.0
86.03150	2.0
87.00734	1.1
89.00176	1.6
91.01798	0.7
99.00708	0.5
101.02352	0.7
105.34126	0.5
106.00484	1.2
111.00757	12.1
111.66548	0.5
121.02835	19.7
123.00764	3.3
127.00285	0.8
129.01825	45.8
130.02118	0.7
136.98744	0.7
138.03122	2.4
139.00287	2.4
139.03932	1.5
147.02892	10.4
151.03825	0.7
153.05472	14.2
154.05759	0.7
162.57964	0.5
166.99741	1.3
173.00830	10.7
182.02086	4.8
187.64696	0.6
191.01894	7.6
197.04478	33.4
198.04854	1.8
209.02986	1.8
211.06038	0.7
222.05263	1.5
237.07663	1.2
265.07150	8.1
309.05981	0.6
327.07159	6.4
371.06287	2.9
389.07190	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01247	2.0
61.98700	0.5
65.00195	2.5
71.01246	1.0
71.53651	0.5
78.95790	0.4
79.95591	0.6
83.01252	1.8
83.21415	0.4
85.02825	5.7
93.59821	0.4
96.95889	20.4
96.96871	0.9
101.02320	1.0
107.01273	4.1
107.04902	0.8
109.02824	0.5
111.00737	0.4
114.93336	0.4
121.02838	0.9
125.02325	5.1
129.01820	1.3
133.02831	1.8
135.04434	2.1
137.02362	0.5
139.02129	2.5
141.00067	0.8
147.02911	0.7
151.00269	18.9
152.00708	0.5
153.01799	0.6
155.03409	0.4
160.01535	0.8
161.04536	0.4
165.00056	1.4
165.01846	0.8
166.00862	3.5
167.01631	100.0
168.01961	5.8
169.01276	0.5
173.00818	0.6
177.01834	1.0
179.03407	0.5
191.01875	1.9
191.98761	1.1
192.99564	8.2
194.00055	0.3
197.04457	0.7
221.09875	0.4
231.56068	0.4
237.02205	1.4
250.59151	0.4
252.68922	0.4
285.04025	0.6
301.01660	0.9
319.02768	9.5
320.03104	0.9
329.06998	21.6
330.07324	1.7
337.79379	0.4
355.04715	2.1
371.06189	1.6
391.06943	0.9
399.07736	0.8
407.04327	4.3
417.08633	10.6
418.08868	0.9
443.06296	2.2
481.08081	48.5
482.08282	5.7
569.09674	23.6
570.10040	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	568.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62975	0.8
59.01248	19.3
61.77128	0.8
61.98703	2.5
71.19999	0.9
73.66425	1.1
75.00760	3.1
78.95776	19.2
79.95564	0.8
80.96384	2.6
82.66348	0.8
94.97961	1.3
100.43381	0.9
120.01301	0.9
152.99480	4.3
168.04251	2.8
174.57748	0.9
224.06914	7.9
242.07834	2.0
255.23222	10.3
269.24832	100.0
270.25156	8.9
483.27264	4.1
494.32489	56.5
495.32953	12.1
546.43323	1.0
568.28436	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	569.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26794	0.9
59.01221	1.9
61.98685	1.3
63.02259	1.4
65.00188	5.5
69.91705	1.9
69.92095	1.1
71.01229	1.6
83.01252	3.2
85.02818	1.4
96.95874	2.2
96.96850	0.9
98.19888	0.9
98.95457	0.9
107.01282	7.2
109.02837	6.2
119.04910	1.3
121.02826	1.6
125.02298	1.6
125.43815	0.7
133.02840	11.1
135.04457	0.9
137.02303	1.4
140.13629	0.9
142.99107	0.7
145.02879	0.8
149.02315	0.9
151.00273	15.8
151.03917	1.1
161.02316	1.7
165.01785	1.3
173.02208	0.8
175.03885	1.0
177.01830	1.7
183.04405	1.2
193.01344	2.0
197.02513	0.8
199.03911	1.5
201.01881	0.7
211.03946	3.2
212.04317	0.8
213.05443	1.1
215.03470	1.5
228.10641	0.7
235.03886	1.8
237.05441	1.5
239.03444	11.6
240.03802	0.9
253.05084	1.8
254.23030	0.8
255.02950	2.9
257.04550	1.6
260.04556	0.9
261.05511	1.1
263.03458	3.0
279.02893	0.9
279.06647	1.0
281.04501	6.3
283.02481	2.9
285.03979	4.4
303.06479	0.9
305.04556	2.5
307.02487	3.2
317.04556	1.2
319.06021	1.3
323.05444	4.1
325.03439	1.0
327.48465	0.8
329.04706	0.8
346.04672	1.2
347.05600	6.3
349.03506	2.9
361.03439	1.1
361.07309	1.0
365.06693	1.4
371.06100	0.8
373.03226	1.0
389.06750	2.2
391.04590	39.0
392.05124	4.6
415.04575	4.5
417.06378	13.7
418.06537	1.4
433.05762	10.6
434.05872	1.7
459.03439	3.0
569.07196	100.0
570.07489	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	567.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.8
57.03338	4.1
59.01253	76.4
61.98703	100.0
70.02862	2.3
71.01257	31.7
73.02824	8.4
75.00744	2.6
79.95620	2.2
83.01271	4.3
83.04913	2.8
85.02828	16.4
85.78750	2.6
89.02314	8.3
95.01268	4.0
96.95899	2.4
101.02312	23.5
101.02853	2.9
113.02313	13.7
119.03406	4.2
119.04897	3.6
125.02289	2.8
135.04398	2.9
161.04430	11.5
163.03918	6.4
189.10410	2.4
255.06606	3.8
256.06927	3.0
345.30115	8.3
467.68869	2.6
471.58881	2.5
507.35379	86.8
508.35654	20.3
523.13129	2.8
567.29089	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	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97606	12.8
59.01252	55.4
60.56783	10.9
61.98696	66.3
72.31690	13.2
78.95786	26.4
96.05628	10.9
96.95885	14.6
100.99096	12.1
117.03381	30.1
117.82996	13.4
119.04916	100.0
145.02820	43.4
152.99510	17.6
163.03876	51.9
189.49924	12.6
217.71078	13.3
238.26816	12.2
293.21347	28.0
306.54892	12.2
413.93539	12.4
540.03796	13.3
565.28247	27.4
565.66864	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	567.1144
Annotation	2''-(4'''-Hydroxybenzoyl)-isoorientin
Peak:m/z	Relative Intensity
55.01781	0.7
57.03307	0.8
59.01254	4.1
61.31822	0.6
61.98708	1.7
65.00179	0.9
67.77784	0.5
69.03297	0.6
71.01245	1.7
71.53104	0.8
73.46352	0.5
77.03837	0.7
79.01756	0.8
83.01280	1.1
83.04912	0.6
85.02799	1.5
85.81836	0.5
87.00726	0.9
90.02616	0.5
93.03339	2.1
95.27868	0.6
96.95901	0.5
97.02815	0.8
98.95403	0.5
101.02309	1.0
107.01332	0.5
109.02824	2.4
113.02332	0.8
116.19996	0.6
119.04889	2.5
120.99541	0.7
121.02849	2.6
123.04409	0.9
125.02333	2.6
132.02046	0.7
133.02846	15.2
133.03822	1.1
134.03401	1.0
135.04449	2.5
137.02327	2.7
145.02803	0.9
147.04417	1.8
148.01530	0.6
149.02306	2.9
151.00269	1.3
151.03951	0.7
153.01877	0.9
157.59001	0.5
161.02353	1.8
163.00294	2.1
163.03911	3.5
165.01848	2.3
167.03391	1.0
173.02353	0.7
175.00345	0.6
175.03922	3.1
176.01065	0.6
177.01894	0.9
179.03413	0.8
185.05879	0.5
187.03818	0.6
189.01810	0.7
190.02623	0.8
191.03413	1.8
191.91658	0.6
193.01337	2.0
199.03918	0.8
201.01906	0.9
211.07593	0.5
213.05508	1.0
215.03429	0.9
217.05052	0.6
225.05554	1.1
227.03406	1.2
227.07187	0.6
240.04025	0.6
241.04964	1.1
243.03044	0.6
253.05113	0.9
255.03094	0.7
255.06676	0.6
269.04523	1.0
284.03247	8.2
285.03918	5.8
286.04309	1.0
297.04047	15.0
298.04745	8.5
299.05588	18.9
300.05893	1.9
309.04123	1.6
311.05780	2.6
324.02655	1.1
325.03403	0.9
327.05084	100.0
328.05432	11.5
339.05069	3.1
340.05484	0.7
341.06512	0.7
357.06131	20.8
358.06436	2.1
369.06094	2.7
393.06094	2.1
411.07230	1.0
429.08270	8.6
430.08768	1.2
447.09372	4.7
453.94910	0.5
469.75452	0.7
523.12280	1.0
567.11365	20.3
568.11859	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	563.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03321	2.1
57.76138	1.1
59.01252	28.2
61.98703	3.1
71.01254	12.4
71.32878	1.6
72.99173	1.9
73.02806	3.4
78.95777	1.8
83.01256	2.0
85.02822	7.7
87.00738	4.2
89.02300	2.3
99.00741	1.7
101.02316	5.5
111.00734	2.0
113.02324	2.9
119.04919	7.8
120.05240	1.7
125.02344	2.5
126.39340	0.9
145.02834	2.6
156.61771	1.1
163.03897	7.3
174.73254	1.1
191.01949	2.3
193.04883	1.5
215.07219	1.1
297.24368	4.1
313.23618	1.5
315.25381	22.7
316.25647	2.2
317.42856	1.1
327.25357	1.7
349.27307	1.1
442.43558	1.1
459.29593	7.3
477.23834	1.5
477.30643	29.3
478.30884	4.2
519.31714	100.0
520.32098	16.2
558.44818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03271	2.0
59.01240	7.7
65.01025	2.1
71.01261	5.1
83.01263	2.4
85.02809	9.7
85.06451	2.5
87.00753	2.8
87.10733	2.2
89.02329	3.3
91.01741	2.3
93.03339	2.8
99.00758	2.8
101.02313	3.1
109.02871	2.4
109.99986	7.8
111.00758	9.4
116.92741	12.7
121.02795	3.5
125.02362	5.5
137.02328	7.5
137.99487	3.4
139.00299	11.7
146.03618	2.7
148.01471	2.8
149.04411	3.4
151.00302	11.3
151.03935	3.5
152.00996	2.5
153.05486	12.8
163.00262	3.4
164.01062	2.6
165.98938	8.5
166.99811	4.8
167.72969	1.9
171.04393	3.2
173.02306	2.3
175.03905	3.5
178.99796	13.8
191.01863	4.9
193.42609	2.3
207.02838	3.1
208.73166	1.8
215.03313	2.3
217.04840	1.9
227.03397	6.0
229.76738	2.7
242.02086	3.8
243.02960	15.5
244.03548	3.8
255.03003	28.5
256.03217	2.5
259.02295	2.3
270.01569	3.9
271.02484	96.8
272.03125	11.1
278.02161	2.0
287.02036	21.8
288.02591	2.7
299.02139	14.9
300.02744	100.0
301.03345	11.6
316.02225	53.4
317.02975	28.7
343.08136	2.7
467.74844	2.2
479.08035	4.1
521.09430	74.1
522.09705	13.3
565.11896	69.9
566.12323	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	565.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20044	0.2
52.32640	0.2
59.01248	1.1
61.98694	0.8
62.96270	0.4
71.01243	0.4
73.00192	0.2
78.95774	100.0
80.96390	0.3
85.02834	0.2
95.96093	0.5
96.96839	26.7
97.12037	0.2
101.02316	0.3
106.48647	0.2
114.13366	0.3
119.04905	0.6
121.02821	1.0
125.02365	0.4
126.42432	0.2
138.15987	0.2
138.97906	0.8
145.02808	0.4
149.02338	0.4
151.00348	0.2
163.03918	0.4
259.02225	1.0
267.07108	0.3
317.49808	0.2
403.22543	19.8
404.22925	2.2
408.01953	0.2
445.23633	0.2
565.27820	39.5
566.28107	7.1
574.53412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37234	0.4
57.03320	0.5
59.01252	4.2
61.98697	0.6
63.41475	0.4
63.96109	1.3
69.03328	0.8
71.01250	9.0
71.53215	0.6
72.99200	0.5
73.02822	1.5
78.95776	1.6
78.98458	7.5
79.95599	11.9
80.96389	81.6
81.03341	0.8
81.96300	0.4
85.02827	3.4
87.00739	3.2
94.97961	17.1
95.01254	0.5
96.95879	1.6
97.02832	1.4
101.02312	3.2
106.97962	4.0
113.02359	0.5
122.97481	3.3
125.02315	2.8
127.03898	0.7
134.97481	5.2
136.99054	1.7
148.99054	6.8
152.98511	5.7
152.99506	0.5
164.98550	13.6
168.04260	0.4
177.25729	0.4
188.98502	0.4
206.99652	2.8
225.00691	14.8
226.01015	0.6
242.08061	0.5
263.20163	1.5
265.21722	18.0
277.21744	1.1
299.04391	3.1
317.05325	0.5
343.16821	0.4
490.29349	4.9
519.87720	0.4
563.25269	100.0
564.25647	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1407
Annotation	Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.84747	0.6
59.01233	0.9
63.66703	0.5
71.01250	1.1
71.53300	0.6
80.96381	0.5
85.02813	1.8
89.00513	0.6
90.23727	0.5
93.03330	1.9
94.03772	0.6
108.68836	0.5
113.02169	0.5
117.03377	3.3
119.86853	0.5
119.87856	0.5
125.02377	0.7
133.06540	0.6
135.04385	1.1
137.02235	0.5
147.04391	0.7
159.04494	0.6
161.02347	1.7
163.03888	1.2
173.04449	1.8
173.05962	0.7
175.03979	1.2
177.05524	1.3
187.03856	0.7
191.01892	0.7
191.03456	1.5
203.03448	1.2
209.03004	1.0
217.05063	0.8
267.06540	0.8
282.05322	1.6
283.06149	2.6
284.06497	0.7
295.06134	2.8
296.06799	1.8
297.07648	13.0
298.08096	1.3
307.06207	1.5
309.07629	1.4
311.05530	2.2
323.05499	3.2
324.06320	0.8
325.07117	5.9
326.07288	0.6
328.05771	1.8
335.05539	1.2
337.07129	2.5
353.06650	31.6
354.07132	3.7
355.08270	1.2
365.06488	4.7
366.07245	0.7
383.07706	20.2
384.08072	2.5
395.07565	1.9
401.12268	0.8
407.07611	0.9
407.16110	0.7
413.08530	3.0
425.08649	1.5
443.09799	11.0
444.10431	1.3
455.09839	0.7
473.10718	7.3
474.11368	1.1
503.11853	2.0
545.12946	0.8
563.14026	100.0
564.14368	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	563.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	13.9
59.01246	14.1
59.25732	1.1
61.98698	3.1
63.22364	1.2
67.01767	1.3
69.03316	4.9
70.54859	3.2
71.01262	7.1
71.04872	1.5
73.02825	1.4
74.05604	1.1
74.92420	1.2
79.95604	12.1
80.80434	1.1
81.03345	6.9
83.01260	12.0
85.02830	12.3
87.21803	1.2
89.02311	3.2
93.03316	2.8
95.01238	1.7
95.04906	7.8
97.02845	8.6
97.03378	1.3
99.04380	5.4
101.02316	4.1
107.04895	3.5
109.02852	7.9
113.02313	3.6
113.05952	2.8
121.02843	5.0
123.00803	1.7
123.04430	3.2
124.01575	1.6
125.02337	60.8
126.02679	2.4
133.02864	2.3
134.03603	2.2
135.04367	4.1
137.02344	57.5
138.02728	1.6
139.03905	6.7
143.90053	10.3
149.02423	3.2
151.03889	11.7
157.06467	2.6
159.04431	1.5
160.01556	6.5
161.02324	4.4
162.03090	1.3
163.00290	2.6
163.03908	2.7
164.01051	8.1
165.01840	22.6
167.03409	40.2
168.03734	2.7
171.04372	2.7
171.10001	1.5
173.04594	1.5
173.05984	5.1
175.03929	9.5
177.01848	4.9
179.03433	7.9
181.04903	8.3
183.02846	1.7
183.04385	2.1
185.05988	4.2
187.03918	2.7
188.04706	2.7
189.05496	7.4
190.02635	1.6
191.01903	3.2
191.03476	2.2
191.05403	2.5
191.07077	1.7
193.01251	1.8
193.05014	2.3
195.04453	2.5
197.02373	1.7
197.05951	2.2
198.03098	2.3
199.03914	2.8
201.05498	12.4
202.05994	2.2
203.03453	2.4
203.07111	1.7
211.03983	6.8
212.04642	4.5
213.05518	20.8
214.02606	2.9
214.06007	1.7
215.03468	11.0
216.04070	2.7
217.04944	8.6
224.04698	1.7
225.05453	7.5
226.02638	2.0
226.06262	1.9
227.03365	3.3
228.04166	2.9
229.05013	25.5
230.05463	3.5
231.06529	8.1
237.05515	1.8
239.03423	3.6
239.07074	2.1
240.04181	5.4
241.05020	100.0
242.02165	3.5
242.05415	9.3
243.02892	8.3
243.06635	2.0
244.03632	2.5
245.04544	1.8
249.05510	1.9
251.03424	2.3
251.06981	2.0
253.05028	18.0
254.05547	2.4
255.06723	1.4
256.03687	3.4
256.94644	1.4
257.04550	42.5
258.04950	4.8
259.06049	6.3
263.03223	2.3
263.07205	2.0
264.04257	1.3
265.04944	3.7
265.07916	1.4
267.02844	1.9
267.06570	2.9
268.07220	1.3
269.04562	35.6
269.07764	2.6
270.04941	4.4
271.06009	2.4
275.06989	1.7
277.05164	1.8
277.08487	1.7
278.61279	1.3
279.06641	5.1
281.04514	11.6
281.07703	2.7
282.05164	1.9
283.06042	1.7
285.04013	17.1
286.04428	2.3
287.05673	2.4
291.06555	4.7
292.07040	2.0
293.04648	2.9
293.08179	3.8
294.05322	1.5
295.05875	2.3
295.09250	1.3
297.07697	2.5
298.07913	1.5
299.05823	1.5
302.05777	1.9
303.06589	1.7
307.06192	1.7
307.09387	1.5
309.07556	4.2
311.09253	2.9
314.04343	26.6
315.04922	13.8
319.06149	2.1
321.07608	3.9
323.05573	2.4
323.09128	1.7
325.10825	1.7
333.07590	4.0
335.09271	4.6
337.07214	1.8
339.08661	2.4
345.07440	2.2
351.08636	4.1
353.10336	2.2
361.07138	3.5
363.04675	1.4
363.08652	4.9
365.06546	3.0
367.08334	1.8
375.08789	1.6
377.06595	4.1
379.08249	9.3
381.09903	2.5
389.06650	9.5
390.07178	2.1
391.08585	2.0
395.07724	10.4
397.09241	5.4
401.06702	2.6
407.07736	14.6
408.08261	1.5
419.07538	3.6
420.08273	1.8
424.07968	4.5
425.08725	13.0
426.09006	2.6
437.08789	3.0
477.10831	2.0
479.09659	2.2
501.11823	1.9
503.32269	3.5
519.11676	21.6
520.11957	3.5
527.09698	2.3
545.10974	9.8
546.10059	1.6
563.11926	57.4
563.24945	7.3
564.12500	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	563.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84929	0.9
57.03321	12.9
59.01248	2.8
59.36559	1.0
61.98705	1.6
65.03838	1.3
68.95630	1.1
69.03313	2.3
69.55411	6.7
71.01254	1.8
81.03320	6.6
83.01252	10.3
85.02811	1.9
93.03361	2.7
94.19443	1.2
95.01218	1.8
95.04896	8.3
96.95911	1.3
97.02833	6.0
99.04381	5.5
107.04899	2.3
109.02842	5.2
109.34440	1.2
113.05962	2.7
119.04964	1.2
121.02843	2.9
123.00726	1.4
123.04406	3.5
124.01528	1.7
125.02330	61.1
126.02655	2.3
135.04387	1.9
137.02339	54.6
138.02684	2.4
139.03868	4.9
149.02359	3.5
150.03152	1.1
151.03903	10.3
157.06505	2.3
157.35980	1.3
159.04396	2.3
160.01552	1.9
161.02316	2.6
163.00264	2.7
163.03960	2.1
164.01088	7.4
165.01834	19.6
167.03409	34.4
171.04369	1.7
173.05988	4.2
175.03874	2.7
177.01881	1.8
178.02623	2.5
179.03436	6.6
181.04959	12.3
182.05173	1.2
183.04379	1.9
185.05949	5.8
187.03967	2.2
188.04654	2.4
189.05518	6.2
190.02502	1.4
191.03371	1.6
193.04965	9.1
195.04369	2.8
196.05133	1.5
197.02379	1.3
197.06042	2.1
198.03166	2.2
199.03958	3.1
201.05505	11.7
202.06023	1.7
203.07077	2.3
205.05035	1.6
211.03937	5.1
212.04730	5.5
213.05525	20.6
214.02582	2.8
215.03432	12.4
216.04204	2.9
217.04994	10.0
223.03960	2.2
223.07607	1.9
224.04849	1.8
225.05493	7.7
225.50272	1.3
226.02687	1.5
226.05980	1.4
227.03448	6.0
228.04175	4.2
229.04997	24.4
230.05418	2.6
231.06540	8.2
235.03908	1.6
237.05608	2.0
239.03415	3.1
239.07085	2.4
240.04297	6.3
241.05016	100.0
242.02109	3.5
242.05421	9.3
243.02950	8.3
243.06523	2.3
244.03525	2.2
245.04329	2.1
249.05536	1.9
250.06136	1.6
251.03441	3.5
251.07117	3.4
252.04166	1.8
253.04965	14.1
253.08951	1.5
254.05652	3.1
255.02892	1.7
255.06543	1.8
256.03714	4.0
257.04529	35.5
258.05026	5.3
259.06073	6.1
263.03793	1.6
263.07089	3.9
264.04279	1.2
265.05109	5.3
265.08554	2.5
267.03171	1.8
267.06589	4.0
269.04529	36.9
270.05011	5.4
271.06088	3.9
275.07040	2.3
277.05109	2.2
278.05780	1.8
279.06583	4.7
280.03732	1.8
281.04520	12.9
281.07654	1.8
283.06000	2.5
286.04724	1.6
287.05527	3.2
291.06650	4.3
293.04514	2.5
293.08124	3.6
294.05121	1.9
295.06131	3.9
296.06525	1.2
297.07684	2.0
299.05527	3.9
303.06519	2.6
305.04669	1.4
305.08044	1.7
307.06375	2.1
307.09747	2.6
309.07730	2.2
311.09244	2.8
312.02725	1.6
313.03592	1.5
315.09109	1.4
317.08023	1.5
320.06647	1.7
321.07709	4.7
323.05432	1.7
325.10904	1.5
333.07684	4.1
335.05438	3.1
335.09341	4.1
337.07150	2.2
339.08658	2.6
345.07651	1.8
349.07108	2.1
351.08734	3.6
353.06491	1.7
353.10281	3.6
355.08276	2.0
359.07846	2.1
361.07178	4.8
363.04773	1.3
363.08737	4.7
367.08054	1.4
375.08755	1.7
377.06769	3.7
379.08292	13.2
381.09772	4.7
383.08096	2.0
384.41293	1.1
389.06607	10.3
391.08072	2.3
393.09900	2.4
395.07654	9.9
397.09375	6.9
398.09439	1.7
401.06592	2.8
407.07718	17.0
408.08090	2.5
419.07819	6.3
424.07993	5.0
425.08737	20.4
426.08908	2.8
435.11072	1.7
437.08673	3.2
459.11072	1.4
461.08542	1.3
477.11911	3.1
479.09421	3.1
483.10730	1.6
501.11905	3.3
503.32834	1.4
519.13025	5.2
521.34070	1.2
527.09485	2.1
545.10822	12.6
546.11047	2.8
558.42505	1.6
563.11890	70.7
564.12195	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	562.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50488	0.8
59.01250	2.5
61.98700	100.0
69.96556	1.8
69.96947	1.8
71.01257	1.1
78.95773	2.5
80.96397	8.6
83.52564	1.1
86.89660	0.8
94.97972	0.9
98.19925	1.1
121.02828	9.5
129.59105	0.8
134.97485	1.2
148.99092	0.9
152.99541	1.4
164.98521	1.0
179.03419	8.7
213.16821	0.9
225.00652	1.7
231.57129	0.9
231.59331	0.8
274.59827	0.8
277.21774	1.9
365.26968	1.5
366.21829	0.9
563.25311	14.5
569.81195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1402
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
54.83876	0.4
55.65206	0.4
55.69654	0.4
57.03325	6.4
59.01242	1.1
60.04696	0.4
61.98692	0.4
69.03320	1.3
69.38895	1.4
69.39326	1.4
71.01256	1.1
81.03335	1.8
83.01258	4.6
85.02827	2.4
88.98726	0.4
89.02327	0.8
93.03338	3.2
95.01255	1.1
95.04926	2.8
96.95892	0.6
97.02830	5.7
99.04408	0.5
107.04929	1.0
108.02038	1.4
109.02835	19.1
110.03183	0.7
111.04337	0.5
113.02320	0.5
119.04926	0.4
120.02020	0.6
121.02856	3.7
122.03622	1.4
123.00815	0.7
123.04410	14.6
123.05301	0.8
125.02336	43.6
126.02663	1.6
131.04933	0.7
133.02850	2.9
133.06458	0.6
134.03639	0.7
135.04419	3.1
137.02342	22.4
138.03139	0.5
139.03886	3.7
140.04233	0.4
145.02837	1.1
146.03638	1.1
147.04424	0.9
149.02338	5.4
150.03114	0.6
151.03902	8.3
153.01843	0.4
153.48097	0.4
157.06520	0.8
159.04411	3.1
160.05211	1.0
161.02354	3.6
161.05965	5.2
162.03081	1.3
163.00285	1.8
163.03940	2.9
164.01059	13.6
165.01837	5.5
166.02431	0.6
167.03421	1.9
173.05963	1.3
175.03935	3.9
175.07590	1.8
176.01009	0.7
177.01868	4.4
177.05443	0.8
179.03407	5.5
180.03735	0.5
183.04369	0.4
185.05991	1.7
187.03958	6.1
187.07457	0.5
188.04739	3.7
189.05504	0.8
190.02628	0.4
191.03427	0.4
191.05537	0.4
193.04999	0.5
193.60890	0.4
199.03909	0.4
199.07613	1.2
201.05547	0.7
202.06325	1.8
203.03462	0.8
203.07076	12.2
204.07469	0.7
205.01418	2.8
205.04996	7.1
206.05388	0.8
210.56334	0.4
212.04608	0.6
213.05513	0.5
215.03334	0.6
217.05006	0.6
221.08211	1.9
227.03442	0.4
227.07031	2.1
228.04228	0.7
228.73195	0.4
229.05037	1.5
229.08606	0.6
231.02945	0.7
231.06593	0.4
241.05133	0.6
243.06519	0.4
245.04385	0.6
245.08159	13.7
246.08530	1.0
247.06088	1.7
253.05037	1.0
255.02916	1.6
255.06639	0.4
256.03702	0.8
269.08356	0.4
271.06110	13.3
272.06473	1.4
273.04279	0.9
273.07684	6.4
274.07935	0.6
283.06195	0.7
285.04025	0.7
289.07172	100.0
290.07510	10.6
299.05667	0.5
312.06372	0.5
328.05838	1.6
329.06561	2.4
339.08575	0.8
343.66898	0.4
381.09830	1.4
407.07666	9.4
408.08060	1.1
409.09158	2.1
410.09961	0.6
425.08832	1.3
435.10886	7.2
436.11130	1.0
535.08649	0.4
543.13068	1.5
561.13965	8.4
562.14600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.14
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03319	5.1
67.30193	0.8
69.03317	1.0
71.01255	1.1
81.03310	2.2
83.01274	4.3
85.02805	2.1
93.03330	2.3
95.04898	3.4
96.95895	5.9
97.02859	4.4
98.20679	1.2
98.95470	5.9
98.96155	1.0
99.00733	0.9
99.92462	9.7
107.01289	0.9
108.02020	1.3
108.03715	0.8
109.02839	18.3
111.00736	1.3
113.02345	1.4
115.05460	1.0
115.91975	9.0
116.92745	8.0
121.02840	3.9
123.04417	14.3
125.02338	35.3
125.19038	0.7
126.02668	2.0
130.12175	0.8
131.04967	0.9
133.02844	3.5
135.04424	2.5
137.02354	20.5
138.02763	0.8
139.03902	2.9
142.94286	1.5
145.02798	1.7
146.03658	1.2
149.02341	4.5
151.00247	1.1
151.03912	8.4
159.04401	3.0
160.05148	0.9
161.02344	3.6
161.05962	4.7
163.00293	1.8
163.03815	1.9
164.01074	14.8
165.01820	7.0
167.03415	1.8
170.93849	1.6
175.03877	3.2
175.07495	1.7
177.01819	3.3
177.05508	1.4
179.03421	5.5
185.05983	2.3
187.03922	4.1
188.04707	2.6
191.01958	0.9
199.07561	1.4
202.06242	2.4
203.07091	11.2
204.07440	1.1
205.01335	2.5
205.05026	7.6
221.08273	1.8
223.04230	1.0
227.03378	1.1
227.07121	1.9
229.05017	1.8
231.02960	1.3
240.94389	1.3
245.08179	15.6
246.08514	1.3
253.05084	1.0
255.02861	1.1
257.94763	1.8
258.95532	5.6
271.06107	12.1
272.06430	1.8
273.07617	5.2
285.04163	2.1
289.07184	100.0
290.07516	10.5
314.38748	0.9
328.05746	1.9
329.06662	2.5
339.08463	1.0
342.05933	1.2
366.95325	1.8
381.09561	0.9
407.07666	7.8
408.08279	0.9
409.09277	1.0
425.08533	1.2
435.10852	6.1
481.99213	1.0
525.11871	1.2
542.98767	8.0
543.12793	1.6
543.98846	2.7
560.99597	2.1
561.14044	5.6
561.21930	1.1
562.14093	1.1
565.52057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98696	0.5
57.03329	8.8
58.03631	0.6
59.01247	0.7
64.52031	0.6
69.03320	0.8
71.01254	1.3
71.08278	1.1
80.96386	2.1
81.03336	2.1
83.01253	4.5
85.02821	1.2
89.02324	0.7
93.03336	4.4
95.01258	1.5
95.04889	3.1
96.08552	0.6
96.74307	0.7
96.95869	2.9
97.02832	7.8
99.92436	1.1
101.02324	0.9
107.04917	0.6
108.02091	1.3
109.02831	20.9
110.03146	1.3
112.26922	0.6
119.04907	1.0
120.02026	0.8
121.02855	4.0
122.03653	1.1
123.04407	17.0
124.01529	1.0
124.04773	0.9
125.02336	56.4
126.02651	2.1
131.04901	0.8
133.02850	4.0
134.03638	1.6
135.04405	4.1
137.02342	22.0
138.02965	1.1
139.03893	4.5
145.02794	0.9
146.03604	1.8
147.04375	1.0
149.02333	6.6
151.03905	9.9
157.06535	0.7
159.04422	2.7
159.08081	0.9
160.01550	0.6
160.05101	1.2
161.02368	9.8
161.04715	0.9
161.05974	5.9
162.03061	1.4
163.00276	3.6
163.03906	1.8
164.01068	14.8
165.01828	7.4
165.09285	0.6
166.02509	1.3
167.03360	1.3
173.05931	0.9
175.03905	5.2
175.07578	1.4
176.01100	1.2
176.04257	0.8
177.01837	5.9
177.05447	1.5
178.02509	0.8
179.03374	5.6
185.06010	2.0
187.03929	5.1
187.07690	1.1
188.04707	3.9
189.05434	2.1
191.89066	0.6
193.05003	1.2
199.07561	1.0
201.05551	1.1
202.06300	2.6
203.07059	11.5
204.07475	0.8
205.01422	5.1
205.04980	7.6
205.08630	1.0
209.02826	0.8
212.04749	1.0
217.04893	0.8
219.02936	0.8
221.08064	3.3
227.03300	0.7
227.07072	2.8
229.04994	1.9
229.08649	0.9
231.02873	1.1
231.06621	0.9
243.02940	1.0
243.06470	0.7
245.08153	14.9
246.08630	1.7
247.05959	1.5
253.05173	0.9
255.02939	1.6
256.03690	1.4
271.06100	10.6
272.06451	1.5
273.07675	13.9
274.08014	1.0
281.04492	1.1
283.02530	1.0
283.06155	1.0
285.04025	0.9
287.05478	0.8
289.07178	100.0
290.07507	10.2
299.05597	1.0
313.07132	0.8
328.05991	2.3
329.06689	4.3
330.06970	0.7
339.08450	0.8
381.09860	1.3
407.07803	13.7
408.08087	1.5
409.09354	1.8
425.08817	2.8
435.10852	12.8
436.11136	1.7
471.15305	1.4
543.13159	2.1
561.13110	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	561.1405
Annotation	Catechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.93365	0.5
54.50180	0.4
57.03083	0.5
57.03319	5.9
58.46102	0.5
58.89488	0.4
66.89532	0.5
67.01733	0.6
67.05196	0.4
69.03317	0.9
70.81922	1.1
75.61829	0.4
81.03345	3.1
83.01247	6.3
93.03358	2.4
95.01257	1.0
95.04897	3.6
97.02818	7.5
99.04376	0.5
107.04945	0.7
108.02057	0.7
109.02834	25.4
110.03179	0.7
119.04890	0.4
120.02046	0.4
121.02837	4.7
122.03619	1.4
123.04408	19.3
124.01521	0.6
124.04762	1.0
125.02334	36.7
126.02622	0.8
131.04912	0.9
133.02838	3.2
135.04399	2.5
137.02342	21.6
139.03912	4.8
145.02887	1.3
146.03598	1.4
147.04408	0.9
149.02354	4.6
149.06032	0.6
150.03056	0.7
151.03917	9.5
152.04256	0.7
157.06490	0.8
158.03601	0.4
159.04413	2.8
160.05138	1.5
161.02386	3.2
161.05992	7.5
162.03119	1.5
163.00243	2.8
163.03923	2.5
164.01064	15.4
165.01846	7.2
166.02570	0.7
167.03360	1.5
173.05960	1.2
174.03127	0.7
175.03893	4.9
175.07489	2.0
176.00879	0.5
176.04289	0.5
177.01825	4.8
177.05476	1.0
178.02504	0.9
179.03406	5.2
183.04507	0.5
185.05992	1.8
185.19958	0.4
186.06662	0.7
187.03932	6.8
187.07539	0.6
188.04712	4.0
188.31488	0.4
189.05484	0.7
199.07544	1.1
201.05550	1.0
202.06284	1.6
203.03484	1.1
203.07069	12.7
204.07397	1.3
205.01456	3.5
205.04990	9.3
209.06082	0.4
212.04749	0.6
213.05464	0.7
217.05032	0.7
217.08769	0.7
221.08191	2.8
227.03525	0.8
227.07109	2.6
229.04971	1.5
230.05740	1.1
231.02992	0.8
245.04381	0.8
245.08167	16.4
246.08473	1.3
247.06041	1.7
253.05022	0.5
255.02818	2.9
256.03763	1.2
271.06100	11.2
272.06442	1.3
273.07632	5.3
281.04526	0.7
283.05988	0.8
289.07166	100.0
290.07526	9.4
328.05695	1.4
329.06442	2.8
339.08786	0.6
381.09808	1.1
407.07730	10.9
408.08093	1.4
409.09164	0.9
417.09592	0.6
425.08737	1.0
435.10791	8.6
436.11127	1.4
525.12030	0.7
530.71948	0.6
543.12927	1.1
561.14081	3.6
562.14386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.3
69.03318	1.1
69.61887	3.0
80.96369	0.7
81.03335	2.7
82.43017	0.5
83.01247	3.6
93.03299	2.6
95.01246	1.4
95.04890	3.0
97.02834	7.6
107.04897	1.2
108.02092	1.0
109.02837	20.2
109.03604	1.0
110.03168	1.1
112.93617	0.6
120.02030	0.5
121.02853	3.8
122.03579	1.6
123.04405	16.2
125.02333	32.0
126.02698	1.3
128.74306	0.5
133.02831	2.8
135.04401	2.4
137.02339	15.4
138.03053	0.8
139.03918	3.0
146.03618	1.3
147.04376	1.3
149.02361	5.1
150.03160	0.6
151.03912	8.6
157.06540	0.9
159.04439	3.7
160.05148	1.2
161.02379	3.8
161.03526	0.7
161.05962	5.8
162.03093	1.6
163.00278	2.7
163.03865	1.7
164.01067	11.5
165.01871	5.5
167.03395	1.2
173.06000	1.0
174.03111	0.7
175.03902	4.2
175.07547	2.3
176.01018	0.8
177.01790	4.3
177.05522	0.7
179.03404	4.4
185.06018	2.2
187.03941	4.7
188.04695	3.0
189.05438	1.2
199.04024	0.7
199.07588	1.0
201.05475	1.2
202.06316	1.4
203.07059	11.4
204.07420	0.9
205.01381	3.8
205.04974	5.9
217.05078	0.9
221.08156	2.0
227.07079	1.9
228.04167	1.0
229.04936	1.7
229.08612	0.8
230.05779	0.9
235.95808	0.6
243.02956	0.7
245.08165	12.0
247.06061	1.0
253.04929	1.1
255.02927	1.5
256.03738	1.0
269.04541	0.8
271.06088	11.6
272.06488	0.7
273.07690	8.2
274.07874	0.9
283.06146	0.6
289.07166	100.0
290.07501	8.9
312.06369	1.1
328.05756	2.5
329.06631	3.3
339.08743	0.8
381.09933	1.2
391.11569	0.8
407.07700	12.9
408.08112	2.0
409.09106	0.7
411.10880	0.6
425.08743	1.0
435.10834	10.6
436.10843	1.8
471.15430	2.1
531.48615	0.7
543.12775	1.1
561.13800	4.8
562.13501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	47.1
61.91160	2.7
61.98696	10.8
65.92943	3.0
71.01247	20.5
71.52908	5.5
73.02805	14.1
80.40390	3.0
83.01263	4.2
85.02805	4.6
87.00745	3.5
89.02312	5.5
101.02304	15.0
117.03295	5.3
119.04899	22.7
121.02862	3.2
125.02326	3.2
142.36079	2.7
145.02866	7.1
150.03152	4.6
163.03900	18.4
193.08908	2.8
209.11725	4.1
311.22260	28.7
312.23044	4.1
434.46732	3.0
473.27121	5.8
515.28625	100.0
516.28998	17.6
559.12793	3.6
559.31219	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.1
61.98713	2.6
69.34439	2.4
69.34855	0.9
71.01259	3.4
73.02817	1.2
78.55116	0.5
78.95773	1.5
85.02818	1.1
89.02336	2.6
98.19822	0.8
99.42221	0.6
101.02304	3.4
113.02324	1.4
119.03384	0.9
143.03320	0.6
145.30865	0.5
161.04442	1.4
179.05385	0.7
235.08235	2.4
253.09245	14.2
254.09673	0.9
263.20148	100.0
264.20511	9.4
277.21658	1.6
297.95874	0.5
474.26208	2.1
489.33310	0.5
519.38300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46289	0.6
57.03331	1.2
59.01241	2.6
63.96098	0.6
64.85955	0.6
68.06281	0.6
69.03307	1.2
71.01250	8.0
71.53944	0.9
72.66035	0.6
73.02817	1.2
78.98466	5.3
79.95605	9.6
80.96389	62.8
81.03326	1.4
82.49844	0.6
83.01264	1.0
85.02818	4.8
87.00747	2.8
93.03321	1.1
94.97961	14.5
95.01244	0.9
96.95880	3.9
97.02813	2.3
98.14574	0.5
99.00788	0.7
101.02331	2.7
102.02569	0.6
106.78167	0.5
106.97985	2.7
113.02339	1.1
121.02837	0.6
122.97472	2.8
123.04408	0.6
125.02341	7.6
133.02863	0.7
134.03583	1.3
134.97478	4.5
136.99054	1.1
141.01807	1.2
143.03450	0.6
145.02911	0.7
148.99033	6.4
149.02431	0.9
151.00284	1.0
152.98547	5.3
153.01840	2.7
156.00385	0.7
160.01595	0.8
161.02325	1.0
164.98543	13.7
167.03413	1.1
175.03960	1.4
193.04979	1.2
206.99609	2.7
209.11702	3.3
216.21991	0.7
225.00691	21.2
226.00868	0.7
271.05969	0.6
285.03967	0.9
299.04517	2.3
527.18213	2.8
559.20703	100.0
560.20966	14.1
564.23163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.5
59.01249	18.7
61.98685	6.3
65.00188	9.3
68.99680	2.0
69.03307	3.8
71.01225	5.3
71.53499	2.3
72.61767	1.9
74.30963	2.0
78.96707	2.0
81.03324	3.0
83.01259	3.8
85.02790	2.9
86.39359	1.9
89.02300	2.0
93.03338	4.8
94.62453	2.1
96.95881	2.8
101.02316	3.8
107.01262	3.9
109.02852	4.2
113.02314	3.6
119.04921	3.0
123.04388	3.3
124.01522	7.7
125.02345	5.0
125.09597	6.5
128.03416	2.4
133.02841	6.8
133.06467	11.4
135.04410	47.5
136.04716	4.8
137.02289	4.3
149.05963	2.5
149.09604	7.7
150.03128	2.3
151.00264	8.6
151.07501	5.7
152.01039	5.0
156.40941	2.2
160.01584	2.9
161.02385	3.4
161.05849	2.4
164.00999	3.5
165.01741	4.4
173.05927	2.7
175.03906	5.1
175.07558	3.1
176.01015	2.9
177.01866	11.5
177.05461	5.7
178.99779	2.1
192.00496	6.5
193.08630	41.8
213.05415	5.1
217.08698	3.7
219.03004	2.3
219.06538	26.5
220.07051	2.7
221.08054	3.0
243.06667	2.6
247.05946	12.1
248.06454	2.2
258.05133	3.4
261.07651	18.1
269.11899	2.6
273.07681	2.2
283.13364	9.2
291.08585	5.3
311.12964	6.2
323.18442	2.4
327.12347	100.0
328.12823	15.5
351.12408	18.3
355.11850	76.5
355.24774	2.8
356.12149	7.8
369.13431	4.4
397.12854	40.6
398.13162	7.5
427.13782	11.6
531.18823	15.9
532.18933	2.7
559.08759	4.0
559.17627	4.3
559.28265	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.3
57.03321	0.5
58.72332	0.4
59.01244	2.3
61.98705	1.0
67.01769	1.1
69.03326	100.0
70.03654	2.6
70.55399	0.6
71.01268	2.1
72.99179	2.1
73.02852	0.4
76.10693	0.4
79.01768	1.4
83.01260	1.0
85.02808	2.6
89.02319	1.1
93.03339	0.5
95.01269	2.7
96.95884	1.0
97.02831	22.8
97.06403	0.4
98.03160	0.7
99.00752	25.0
101.02328	1.1
102.01875	0.4
109.01560	0.4
113.02323	1.5
118.81174	0.4
121.02863	0.7
123.00755	1.7
123.04391	0.9
125.02328	1.3
132.02074	0.5
137.02351	0.7
141.01845	7.0
149.02357	1.7
151.00237	1.0
153.01895	0.4
153.65080	0.4
154.08707	0.4
160.01576	3.1
161.02406	0.8
164.04623	0.8
165.01938	0.5
167.03442	2.0
173.04517	0.6
175.03937	5.2
179.03404	0.4
185.00833	66.4
186.01132	2.5
191.03632	0.4
193.05150	0.5
208.07101	0.5
223.06058	2.6
243.79640	0.4
269.08206	1.2
283.09863	0.7
285.04132	0.5
305.57913	0.4
311.09225	0.6
321.09500	0.5
340.09442	0.7
343.11823	2.2
355.11926	1.2
380.62988	0.4
451.04291	0.5
465.20221	0.5
481.20480	0.7
523.02710	0.4
559.14673	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	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34999	0.2
57.03318	0.9
57.29026	0.2
58.00470	0.3
59.01245	1.6
60.99177	0.4
67.01756	3.7
69.03320	2.1
71.01249	2.7
71.11163	0.4
81.03323	0.9
83.04904	0.8
85.02827	0.8
87.00740	0.4
91.05367	0.2
93.03333	23.3
94.03675	0.8
96.95877	0.7
97.02829	0.3
99.00782	0.5
109.02840	0.8
111.00774	1.1
111.04409	3.7
112.04776	0.2
113.02329	0.4
121.02831	0.9
125.02351	1.0
127.03922	0.4
132.02026	0.3
133.02853	0.7
135.04436	1.2
137.02350	4.0
147.04427	1.0
149.02341	11.3
150.02722	0.5
155.03391	4.5
161.02351	1.4
163.03993	0.2
164.01050	0.3
164.04692	9.8
165.01862	0.2
165.05023	0.6
168.74010	0.3
173.04465	100.0
174.04808	4.5
179.03380	1.1
179.07036	0.8
185.00801	0.5
191.05557	1.4
193.01344	0.2
208.03748	0.4
210.48145	0.2
223.06062	14.1
224.06400	1.0
224.25792	0.3
285.04120	0.3
353.08801	0.6
397.11374	32.6
398.11682	4.3
407.29254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22278	3.7
54.17083	2.3
54.36650	2.5
61.82565	3.1
64.93613	2.9
66.08721	3.2
80.70887	2.7
85.02798	4.5
95.08250	2.7
96.95905	5.6
101.02335	3.1
113.02314	4.1
120.99541	100.0
123.98699	3.0
125.02325	4.2
163.03989	3.1
164.06563	2.6
169.01350	3.6
190.36681	2.8
218.02248	3.6
233.04506	8.1
242.11525	2.7
272.09970	2.7
321.15533	3.0
453.62891	2.9
459.46002	3.6
503.75415	3.4
505.03851	3.0
526.42926	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.8
61.98701	100.0
62.20788	0.1
62.98405	0.2
70.73487	0.1
70.73817	0.2
71.01259	0.5
78.95767	1.1
78.98481	0.2
79.95618	0.4
80.96392	2.6
80.98031	0.3
81.95203	0.4
82.95967	2.4
82.96817	0.3
85.02792	0.2
87.00771	0.2
94.97949	0.6
96.95856	0.1
96.97556	0.6
101.02334	0.3
108.97523	0.1
122.97468	0.3
124.97088	0.2
125.02306	0.2
134.97469	0.1
136.97107	0.1
146.49648	0.1
148.99054	0.3
150.98589	0.2
152.98433	0.2
152.99498	0.4
154.98082	0.3
164.98500	0.2
166.98106	0.4
224.06845	0.2
225.00627	0.4
226.01131	0.2
227.00201	0.7
243.01886	0.1
255.23253	2.5
256.23633	1.5
257.23911	0.9
258.24158	0.4
322.76968	0.1
402.63556	0.1
410.46603	0.1
417.83527	0.1
418.93295	0.1
445.71121	0.1
480.31061	1.1
481.31302	0.3
482.31604	0.5
483.31976	1.0
513.61780	0.1
557.28510	7.7
558.28613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52853	0.4
57.03316	1.6
58.99698	0.4
59.01251	5.7
60.99150	0.4
61.98701	3.2
64.99342	0.4
65.00203	0.7
67.01765	4.1
69.03320	1.6
71.01251	5.0
71.53152	0.4
72.99189	0.6
75.00740	0.4
79.95612	0.4
81.03316	0.8
81.42776	0.4
83.01263	1.2
83.04903	0.6
85.02814	2.0
87.00768	0.8
89.02319	1.0
93.03333	23.5
94.03692	1.0
95.01243	0.6
96.95887	1.0
99.00764	0.9
101.02333	1.6
107.01247	0.5
109.02842	1.2
111.00762	1.1
111.04413	4.2
113.02321	1.0
119.04878	0.6
121.02849	2.3
122.44469	0.5
125.02334	1.9
128.03424	0.5
132.02002	0.8
133.02856	1.8
134.03580	0.8
135.04425	1.4
137.02359	4.5
143.04497	0.6
147.04402	1.1
149.02348	16.9
150.02695	0.9
151.00264	1.4
152.01183	0.4
155.03412	4.8
160.01582	1.1
161.02364	2.9
163.03847	0.7
164.04706	13.4
173.04471	100.0
174.04802	3.9
175.03918	0.7
179.03433	0.8
179.07082	1.2
185.00757	0.5
191.05562	1.9
193.04984	0.6
223.06076	22.0
224.06435	1.5
253.09102	0.6
267.06570	1.5
287.16620	0.6
293.04788	0.8
305.17526	0.5
335.07782	1.0
338.64264	0.5
395.87146	0.5
397.11407	30.8
398.11621	2.8
419.07611	0.6
559.13452	0.6
559.30750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62338	0.2
55.22041	0.2
55.89276	0.2
55.97312	0.2
57.03311	0.3
59.01246	1.0
61.98699	0.7
69.03330	2.8
69.32117	1.9
71.01270	0.5
72.99205	0.4
75.23197	0.2
80.96399	0.3
85.02844	0.4
88.98671	0.5
89.03848	1.7
93.03368	0.2
95.01263	0.9
96.95891	0.5
97.02825	1.0
99.00764	0.3
106.04104	0.3
107.59532	0.2
108.02103	0.2
109.02849	0.3
113.02343	0.3
117.03352	6.6
118.03703	0.5
119.04901	0.2
121.02776	0.3
123.00773	1.2
133.02861	0.6
134.03630	73.0
135.03937	3.4
137.02336	1.6
139.03926	0.6
140.91585	0.2
141.01840	1.2
149.05977	7.0
150.03113	0.3
150.06360	0.3
151.00237	0.5
153.01749	0.3
160.01524	0.6
166.99748	0.7
167.03340	0.3
175.03951	0.6
178.02634	4.1
179.03088	0.2
181.05119	0.3
185.00851	1.1
192.04204	0.3
193.04988	100.0
194.05321	6.1
214.06247	0.4
229.08742	0.4
245.08157	0.7
273.07553	0.4
280.32889	0.3
317.06378	0.3
361.05829	0.5
379.06708	0.8
555.10870	0.3
555.26782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.3
59.01253	3.2
60.80184	0.4
61.98697	1.9
67.01762	1.3
67.90002	0.4
68.76444	0.5
69.03325	100.0
69.28896	0.4
70.03656	2.5
71.01250	2.4
72.01648	0.4
72.99182	2.5
74.02313	0.5
77.03751	0.5
79.01768	1.5
81.03310	0.5
83.01270	1.4
85.02820	2.4
87.00757	0.6
93.03342	0.8
95.01275	3.6
96.95890	1.2
97.02830	20.5
98.02311	0.5
98.03174	0.8
99.00755	25.8
101.02350	0.9
108.02120	0.7
109.02842	0.7
113.02347	1.3
123.00777	1.5
123.04403	0.5
125.02337	1.1
134.03656	0.5
135.04373	1.1
137.02347	1.2
141.01854	7.0
145.02850	0.5
149.02353	0.6
151.00308	1.0
153.01854	0.7
161.02275	0.9
163.03905	0.9
165.05577	0.5
166.99675	0.6
167.03438	0.6
169.01396	0.6
179.03546	0.7
185.00835	52.4
186.01135	2.8
203.02083	0.5
215.00108	0.4
223.06085	0.9
227.06915	0.6
255.06596	0.5
279.06677	0.7
285.04138	1.0
309.03995	0.5
323.05664	0.7
341.10440	0.8
353.10150	1.6
381.09717	2.5
497.25418	0.7
557.13092	1.7
557.30652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	35.6
61.98702	9.7
65.00192	17.4
71.01254	35.5
71.53722	12.9
72.99167	12.0
73.03410	7.7
74.20679	6.0
75.00748	12.4
83.01239	12.4
85.02814	56.5
87.00747	9.9
89.02312	8.5
95.01260	22.2
96.95861	17.1
99.00760	13.2
105.73073	6.2
109.02838	7.2
111.00755	22.4
113.02340	53.8
120.99535	8.4
122.99249	5.9
123.00767	9.6
125.02321	19.8
129.01852	6.9
137.02364	19.6
139.00275	34.6
140.00974	11.9
141.01826	22.2
149.02318	12.4
151.00275	28.5
153.01831	17.6
157.01346	10.4
165.56892	5.7
169.01250	12.4
175.02385	12.1
178.99794	18.5
179.03337	7.4
183.02898	9.1
191.01785	7.7
193.01355	17.6
193.03377	10.4
193.05064	6.7
201.01898	12.3
231.02867	7.7
243.02835	13.6
259.02432	11.7
271.02393	19.3
273.04031	7.2
285.03998	20.4
286.01160	10.6
287.01920	12.7
299.02097	43.1
303.04898	8.5
313.03391	17.5
314.04288	27.5
315.01395	35.9
328.05890	9.9
329.02942	15.9
329.06549	84.3
330.03549	39.7
330.07153	9.2
333.06287	7.4
345.06100	94.6
353.16528	6.3
361.05600	20.5
367.09579	6.2
379.07056	14.5
401.43292	6.2
469.71432	7.7
505.09918	100.0
506.10184	13.5
555.28192	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.093
Annotation	Sulcatone A
Peak:m/z	Relative Intensity
54.30271	0.4
57.03311	0.6
59.01255	4.3
61.98700	1.7
63.02269	1.5
63.08148	0.6
65.00193	5.7
68.18604	0.5
68.99677	1.0
69.87262	1.2
69.87650	0.9
71.01250	0.6
80.96398	0.4
83.01257	3.5
85.02832	0.6
90.40144	0.5
93.03336	1.0
98.19930	0.6
101.02344	0.5
107.01266	9.7
110.53275	0.4
115.05433	0.4
117.03360	1.7
119.04919	11.0
121.02857	1.1
125.02332	6.5
133.02850	0.4
143.04955	4.1
144.05267	0.6
145.02873	4.6
145.96028	0.5
149.02327	1.1
151.00272	24.9
152.00691	0.8
152.66566	0.4
159.04448	1.1
160.01616	0.5
161.02370	1.3
161.05994	1.2
163.03932	0.6
165.01895	0.7
169.01309	0.7
173.02361	4.6
183.04387	1.2
185.06000	2.6
187.03888	2.7
189.01982	0.6
189.05560	0.8
193.01392	0.9
195.04439	0.7
197.05948	0.6
199.03818	0.6
200.03601	0.4
209.06032	1.1
211.03923	2.5
212.04669	0.7
213.01936	0.8
213.05487	5.0
214.02669	0.7
215.03435	19.2
216.03815	1.2
225.05550	0.9
227.03416	2.0
229.04997	3.7
235.03909	0.7
237.01938	0.6
237.05515	1.3
239.03429	4.6
240.04042	0.8
241.01427	1.0
241.04990	1.0
242.02101	0.7
251.03508	1.4
253.05049	2.6
255.02979	3.2
256.03619	0.6
257.04449	2.2
259.05328	0.4
269.04495	1.5
270.31763	0.5
271.06113	1.3
279.02988	1.6
279.06415	1.0
280.03864	2.1
281.04541	4.8
282.01669	1.2
283.02499	7.7
284.03079	0.5
295.02536	0.5
297.04004	4.6
298.04285	0.7
299.05618	1.6
307.02533	0.6
308.03253	1.4
321.03830	0.6
322.04785	1.8
323.05493	5.1
324.02747	1.7
325.03513	100.0
326.03867	9.6
331.24893	0.5
341.06711	3.0
347.05548	1.7
349.03519	6.4
350.03772	0.5
359.09314	1.0
363.05023	0.7
365.06610	6.6
366.06992	0.8
367.04565	7.3
368.04871	0.6
385.06989	0.6
391.04630	9.9
392.04938	1.5
403.08258	4.9
404.08655	1.0
409.05603	11.2
410.06021	1.4
429.05890	0.6
435.03580	0.6
469.09451	2.2
493.09027	0.5
510.11169	0.5
511.10507	4.5
555.09290	57.1
556.09589	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02129	0.2
54.37374	0.3
59.01251	24.3
60.01574	0.5
69.36292	2.1
70.37302	0.3
71.01255	2.0
73.02821	0.4
78.95775	20.1
78.98453	1.2
79.95601	1.6
80.96387	14.5
81.03328	0.5
85.02812	0.5
87.00758	0.4
94.97972	3.3
95.06326	0.3
96.96866	0.4
97.02840	0.4
98.19849	0.6
101.02312	0.7
106.97952	0.6
122.97444	1.3
125.02341	0.8
134.97459	0.8
148.99020	1.2
152.98488	0.9
152.99550	2.8
164.98547	2.1
168.04213	2.7
182.99591	0.6
206.99609	0.7
224.06870	8.1
225.00713	4.4
242.08093	1.6
247.78717	0.3
255.23264	100.0
256.23608	9.1
299.04333	0.6
402.06250	0.3
480.30936	57.9
481.31244	9.4
554.27203	3.8
555.28375	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01524	0.2
59.01249	1.0
61.98687	1.2
64.49047	0.3
69.26612	0.2
73.45224	0.3
78.95773	6.4
80.96391	0.4
83.22293	0.3
86.98215	0.3
105.05051	0.4
122.29013	0.3
152.99480	0.9
168.04181	1.5
224.06876	1.0
242.07996	3.0
261.22183	0.3
264.75037	0.3
279.23279	100.0
280.23618	11.4
295.04858	0.3
504.30966	30.8
505.31314	5.6
506.66861	0.3
554.26898	0.7
555.28687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84785	0.6
59.01260	0.8
59.35949	0.7
61.98706	3.0
69.41949	0.5
69.42282	4.5
71.01254	2.4
78.95781	22.4
78.98450	1.6
79.95602	3.2
80.96394	17.7
82.95970	1.4
85.02840	0.7
87.00758	1.1
94.97988	3.6
94.98484	0.6
96.96829	0.7
101.02302	0.9
106.97969	1.0
114.27064	0.5
125.02359	1.0
134.97488	1.0
148.95486	0.6
148.99084	1.1
152.98468	1.5
152.99507	2.3
164.98526	1.9
168.04225	4.3
204.28075	0.6
218.57037	0.7
224.06900	9.8
225.00780	2.9
226.01103	1.0
242.07925	2.7
279.23294	100.0
280.23663	10.4
311.44373	0.7
437.83517	0.7
504.30984	66.6
505.31308	9.5
554.27197	24.8
554.33997	0.4
555.27002	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.6
60.98512	0.5
61.98705	1.3
63.75574	0.5
66.59393	0.5
71.53000	0.7
74.39314	0.6
77.30090	0.5
78.27939	0.5
78.95763	1.4
85.54385	0.5
87.82365	0.5
93.03333	1.1
117.03384	0.5
119.04914	100.0
120.05250	4.0
123.00763	3.7
125.02386	0.5
135.04457	0.9
145.02834	1.0
151.00267	26.9
152.00589	1.2
152.99472	3.3
163.03922	72.1
164.04276	4.3
165.01822	0.9
166.02629	43.9
167.02930	1.6
177.01837	1.1
181.04987	54.3
182.05330	3.0
186.18506	0.6
192.04315	0.6
207.06618	0.6
217.47687	0.5
317.17493	0.5
327.54022	0.6
395.11392	0.6
412.20685	0.7
439.18393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46962	6.1
59.01248	10.5
61.98701	89.6
70.32129	6.6
70.94872	5.8
78.95770	21.8
98.19791	22.0
119.04928	9.8
120.91957	5.9
129.40950	6.5
151.00230	9.7
152.49055	6.0
152.99551	9.5
165.01688	6.5
175.74870	6.5
177.01778	12.2
192.04210	7.5
207.06531	8.2
255.02979	81.3
256.03629	15.3
283.02478	100.0
284.03122	31.9
285.03943	9.1
409.33331	6.6
491.10159	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	553.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00468	3.8
57.03319	3.1
58.00400	3.0
59.01237	10.5
60.99175	16.6
61.98696	9.2
69.52324	15.0
71.01245	8.6
72.79650	2.9
85.02814	5.9
88.98676	81.4
89.02316	6.6
93.03368	3.4
101.02325	6.4
109.02852	4.1
113.02309	4.7
118.98018	3.0
120.99509	4.0
121.02836	3.5
125.02376	6.6
135.04391	3.6
142.78871	3.1
151.00235	15.5
160.01613	3.9
177.01756	3.5
178.99760	7.1
227.03346	4.5
243.02968	9.7
255.02959	18.0
271.02438	42.6
272.02621	5.1
300.02731	84.6
301.03470	40.4
302.03989	4.2
361.58923	3.3
433.28299	3.5
463.08798	100.0
464.09293	16.5
553.32336	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.5
59.01254	13.7
65.68139	0.4
71.01237	2.4
71.24642	0.8
73.02820	0.6
83.01240	0.5
85.02808	0.6
87.00762	0.8
89.02307	2.4
90.02644	0.4
101.02332	2.3
101.44150	0.5
113.02337	1.3
115.19009	0.5
119.03392	0.9
161.04434	1.3
235.08160	2.3
253.09285	13.4
254.09550	0.7
255.23285	100.0
256.23639	9.7
256.26309	0.6
499.88019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11441	0.2
59.01245	1.1
61.98706	0.3
69.35193	1.5
71.01278	0.2
78.95775	7.7
79.32273	0.2
80.96388	0.7
87.67083	0.3
93.94735	0.2
108.44172	0.3
152.99466	1.3
168.04205	1.7
224.06895	1.1
233.22708	0.3
242.07964	3.5
259.20657	0.4
268.32318	0.3
275.20126	0.4
277.21710	100.0
278.22058	11.5
278.81491	0.2
303.84015	0.3
370.78662	0.3
422.07172	0.3
476.97861	0.3
502.29388	31.8
503.29733	5.6
552.25635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68786	0.5
54.66859	0.6
59.01240	3.2
61.98692	1.2
62.96267	0.6
71.01255	0.8
71.53095	0.8
78.68554	0.5
78.95774	30.3
80.96385	4.4
102.20087	0.5
103.49236	0.5
109.45614	0.5
116.92718	1.2
152.99481	3.6
164.98518	0.9
168.04213	4.6
208.44849	0.6
224.06860	11.5
242.08087	2.5
253.21700	11.1
254.22070	1.3
275.20001	0.6
277.21710	100.0
278.22079	11.3
352.04962	0.6
478.29401	2.2
497.52853	0.6
502.29391	72.2
503.29761	14.1
547.33124	0.7
552.25726	7.1
553.13104	0.9
553.25555	2.0
573.33405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03325	1.6
58.00463	0.5
59.01249	100.0
60.01585	1.4
61.13348	0.4
61.98696	3.5
69.03320	0.8
69.21021	3.5
71.01251	17.8
72.99195	0.5
73.02813	5.2
74.02370	0.5
83.01261	3.0
85.02821	10.1
87.00764	1.1
89.02338	2.9
93.03336	0.5
95.01252	2.5
96.95880	0.5
97.02821	0.9
99.00776	2.0
101.02322	8.4
109.02849	1.3
111.00730	1.0
113.02326	10.8
113.03071	0.8
119.03452	0.7
124.01535	0.8
125.02326	1.4
137.02362	2.6
139.04050	0.4
143.03456	1.8
149.02423	0.7
150.03206	0.6
159.02983	0.9
160.01549	1.0
161.04463	3.3
171.10207	0.6
171.13844	0.4
175.04015	0.7
182.55818	0.4
185.15442	0.5
219.06757	0.8
229.08694	0.5
232.66011	0.5
233.08337	0.5
285.04059	0.7
299.25949	1.2
332.98767	0.5
345.30118	4.9
369.09961	0.5
387.31253	0.8
389.47244	0.4
487.31827	0.5
489.34314	42.2
490.34677	7.4
507.35330	23.8
508.35727	4.1
549.28052	0.8
549.36823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.93569	0.2
59.01251	2.1
60.81939	0.2
61.98689	0.7
62.35435	0.2
63.02254	0.3
65.00194	1.4
67.01744	0.4
67.47522	0.3
69.35589	1.7
71.01256	2.8
72.99174	0.6
73.02813	1.0
81.03307	0.3
83.01254	0.7
85.02834	1.7
91.01767	8.3
95.01242	0.6
96.95896	0.3
99.00771	0.9
101.02333	1.3
107.04905	3.1
108.02045	4.0
109.02837	0.7
111.00781	1.4
113.02336	1.5
117.92869	0.3
119.03406	0.2
119.04876	0.5
121.02823	0.4
123.00790	0.8
123.04403	28.8
124.01511	1.2
124.04716	1.1
125.02322	0.8
135.04393	0.5
136.01605	0.3
136.04857	0.3
137.02350	0.5
143.03464	0.3
151.00253	0.3
152.01051	4.8
161.02379	0.3
161.04460	0.7
167.03406	100.0
168.03737	4.6
191.01869	0.2
208.03624	0.3
223.06168	0.4
227.12924	0.2
383.13406	0.3
401.14630	0.4
507.27945	0.4
551.17450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	16.0
61.98690	0.7
66.44476	0.5
71.01251	2.6
72.50105	0.5
73.02823	0.6
74.90981	0.5
78.95761	3.4
85.02835	0.8
85.54266	0.6
87.00745	0.6
89.02321	2.0
101.02322	2.2
113.02335	1.2
114.50711	0.6
119.03369	0.7
121.02836	0.7
152.99484	6.0
161.04431	1.0
235.08107	2.7
253.09242	14.6
253.21693	100.0
254.22044	11.0
264.51511	0.5
370.18390	0.5
487.79642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04326	1.1
55.01753	6.3
57.03331	9.6
58.00460	2.8
59.01248	65.9
63.48178	1.2
69.03323	5.4
69.32355	7.8
71.01250	97.6
72.01582	1.8
72.99176	7.8
73.02818	23.6
75.00736	2.8
83.01255	18.2
83.04920	1.4
84.02023	1.7
85.02822	66.5
86.03167	2.7
87.00746	6.6
89.02317	54.8
95.01247	6.8
97.02834	7.4
99.00738	12.5
101.02319	100.0
102.02625	3.5
109.02839	2.6
111.00739	2.7
113.02328	50.4
119.03387	21.9
121.06543	1.4
123.08055	12.1
125.02324	4.4
127.75881	1.1
129.01813	5.3
131.03369	3.6
137.09618	2.6
141.01863	1.2
143.03386	10.4
147.02898	5.1
147.04391	5.5
149.04431	2.1
158.37155	1.1
159.02899	6.1
159.04198	1.4
161.04460	54.0
162.04797	1.9
163.11189	9.9
173.00848	1.2
173.09619	1.7
179.05516	23.5
185.00847	2.8
189.12785	23.6
190.13261	1.6
191.01869	12.6
205.03497	3.3
207.13841	24.2
208.14191	3.1
209.02887	9.7
221.06566	3.4
225.14891	7.1
263.07669	4.1
293.14462	1.4
298.85864	1.1
301.77945	1.5
323.09735	1.8
339.05200	1.9
387.20233	18.9
431.19171	4.6
549.25500	64.1
550.25665	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00510	0.7
55.01744	2.0
57.03310	2.4
58.00468	5.5
59.01250	100.0
60.01587	1.5
69.19012	7.7
71.01252	88.1
72.01591	1.9
72.99177	7.2
73.02824	5.3
75.00738	0.9
78.96236	0.7
83.01259	5.0
85.02822	20.8
87.00761	4.8
89.02316	96.8
90.02619	1.4
95.01266	5.1
97.02789	0.9
99.00739	2.1
101.02322	50.5
102.02676	1.7
103.72350	0.9
110.11446	0.8
113.02329	37.0
114.02670	1.2
119.03390	43.7
120.03718	1.4
125.02354	2.4
127.31720	0.8
129.01805	0.9
131.03412	4.2
137.09592	1.2
143.03406	9.2
149.04449	3.5
159.02835	1.6
161.04466	15.6
179.05513	22.2
180.05869	0.9
190.89848	0.8
191.01790	1.5
205.03493	1.6
209.03003	1.0
225.14877	1.6
369.19214	3.1
387.20270	12.0
388.20511	2.0
472.84180	0.9
549.25513	68.9
550.25806	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	549.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65026	0.5
53.99030	0.4
57.03329	0.8
59.01256	4.8
61.98692	0.9
63.15411	0.4
69.03323	0.4
71.01254	6.0
71.53692	0.6
72.99184	1.6
73.02826	1.3
75.00727	0.7
82.36908	0.4
83.01235	0.5
85.02816	3.6
87.00780	0.9
88.00206	0.5
89.02328	3.0
90.32806	0.5
91.00249	1.1
91.93043	0.5
95.01270	0.8
96.95922	1.3
97.02827	0.6
98.95480	0.9
99.00768	0.9
101.02313	3.2
101.31602	0.5
103.45469	0.4
104.88717	0.4
105.03325	0.7
107.04940	1.0
109.02828	1.0
113.02319	2.5
117.03375	1.1
119.03386	0.6
119.04865	0.5
121.02859	2.6
123.04395	0.9
123.08064	0.8
124.22992	0.5
125.02283	0.8
130.59207	0.5
132.02068	2.6
133.02846	35.7
134.03566	2.1
135.04413	10.4
136.04706	0.5
137.02341	3.7
143.03427	0.5
149.14806	0.5
151.00246	0.5
151.03949	0.8
161.02345	100.0
162.02681	5.7
163.03876	0.5
163.11203	0.5
166.02528	0.5
167.03391	0.6
177.01794	1.3
178.02618	1.6
179.03387	5.3
179.05063	0.5
179.05551	0.5
189.12779	1.1
191.01910	0.5
193.04971	1.0
322.46625	0.6
369.09811	0.6
417.15741	0.6
417.24728	0.6
465.15283	0.8
549.23193	70.6
550.23633	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	549.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11542	2.1
57.21658	1.9
59.01255	10.2
61.98701	15.4
69.43633	14.7
71.01237	8.4
73.02818	2.9
78.95787	15.1
78.98428	7.9
79.95594	10.7
80.96389	90.2
82.66408	2.1
85.02788	4.0
91.23803	2.0
94.97452	2.2
94.97956	21.0
96.95831	3.0
98.19735	4.5
101.02304	3.7
106.97929	4.9
110.98420	2.6
117.03355	15.0
119.04913	38.8
120.05244	4.4
121.02795	9.1
122.97428	2.1
123.04349	2.6
134.97432	4.1
145.02858	14.6
148.99016	6.1
152.98605	2.7
152.99426	17.3
161.02338	3.2
162.02934	2.7
163.03937	23.4
164.98570	16.0
179.10634	2.2
181.12183	7.7
199.11705	2.9
199.13321	36.1
200.13493	3.8
225.00673	17.8
251.19913	3.2
277.17926	3.2
295.19083	6.0
299.04254	3.9
363.25247	2.9
367.15097	7.5
381.26312	2.8
497.80737	2.2
549.23407	100.0
550.23987	19.5
577.86798	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	549.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39818	1.4
56.25572	1.4
57.03312	4.2
59.01244	17.1
60.06925	1.7
65.00182	1.5
68.99702	2.4
69.03329	1.8
71.01257	12.8
71.53681	1.5
72.99187	1.8
73.02814	3.4
78.43459	1.3
81.03343	4.4
83.01265	4.7
85.02826	12.4
87.00743	1.4
89.02328	5.9
93.03349	3.2
95.01266	1.8
97.02853	5.5
99.00734	2.1
101.02309	7.9
107.05003	1.5
109.02831	8.6
111.00765	2.6
113.02334	6.3
117.04224	1.3
119.04861	2.5
121.02857	4.2
123.04409	9.4
124.01559	7.0
125.02344	7.3
131.40790	1.4
134.03647	2.8
135.04474	2.7
135.08125	1.9
136.01553	2.9
137.02304	10.5
138.03107	4.1
139.03851	1.6
141.09204	1.5
145.98317	1.6
147.02922	1.8
147.04404	3.4
149.02344	6.2
150.03174	3.0
151.00240	3.2
151.03934	6.7
152.01085	2.2
153.01849	5.3
161.02379	4.4
163.03871	2.4
165.01837	4.4
165.09120	1.8
166.02596	10.2
167.03392	5.1
175.03931	5.7
177.01851	6.7
178.02577	1.7
179.03470	2.8
179.07053	2.5
181.08563	2.7
185.06059	1.5
187.04007	2.0
191.01917	2.5
191.03471	7.6
191.07053	2.7
193.04974	2.4
201.01921	2.5
209.08144	21.9
210.08530	2.3
215.03517	2.3
216.04189	1.6
217.04779	1.7
217.08699	2.4
219.03011	4.2
219.06616	2.3
221.08163	5.7
227.07158	1.8
233.08192	2.7
235.06097	3.6
235.09677	1.9
237.07782	2.3
241.05011	2.3
243.02800	1.7
249.07721	6.4
251.09227	24.2
255.02908	3.8
259.06125	1.7
260.20355	1.8
263.05463	2.0
263.09286	2.8
271.02469	4.3
277.07202	5.2
281.10309	4.9
285.04141	1.6
289.07123	1.6
299.01672	1.8
300.02682	7.0
301.03595	5.1
305.06616	2.7
307.08145	4.4
325.03235	1.9
337.09476	2.0
356.57623	1.6
359.11258	2.3
369.09714	3.6
385.12967	4.0
387.10776	4.1
401.12314	8.1
402.12805	1.7
411.10849	12.7
429.11896	100.0
430.12128	15.4
431.13461	4.5
441.11960	4.9
459.13004	43.6
460.13239	5.4
471.12741	3.0
505.09641	7.5
531.15228	4.8
549.15735	5.8
549.29218	42.1
550.29724	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	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29709	1.7
55.29795	1.4
57.03320	2.3
59.01258	12.7
59.86854	1.4
61.98698	5.1
65.00196	7.9
68.12408	1.5
68.99694	2.2
69.03313	1.7
70.29351	5.7
71.01253	8.5
72.99186	1.8
73.02800	2.1
78.95770	5.2
81.03344	6.3
83.01267	5.8
84.02041	1.3
85.02822	6.3
87.00753	1.9
89.02365	3.0
93.03340	6.3
95.01249	2.8
96.95899	11.1
97.02839	4.8
99.00759	6.5
101.02334	4.9
107.01295	2.2
107.04897	1.6
108.02042	2.2
109.02834	22.7
109.06482	2.6
111.04452	2.0
113.02347	4.5
119.04947	2.2
121.02843	6.8
122.03651	2.3
123.00745	2.6
123.04388	4.8
124.01574	10.9
125.02354	11.0
125.09609	3.1
128.03375	2.1
133.02887	9.6
133.06502	13.1
135.04478	7.7
136.01572	3.6
137.02338	42.9
138.03159	9.1
139.03862	2.6
147.00755	2.7
148.01582	8.5
149.02332	13.0
149.06009	1.7
149.09613	5.4
150.03116	5.0
151.00204	2.0
151.03932	2.9
151.07503	1.8
153.01804	3.8
161.02339	20.1
161.04411	2.2
162.03067	2.6
163.00270	6.0
163.03879	3.2
163.07585	2.1
164.01050	6.2
165.01852	9.2
165.09125	4.2
166.02586	11.5
167.03357	2.7
167.10654	4.9
175.00279	6.4
175.03984	2.5
175.07628	3.6
176.01013	4.6
177.01804	6.4
178.02589	6.2
179.03352	3.5
180.03833	1.9
181.04955	1.7
189.01881	3.9
189.09123	1.6
190.02632	8.3
191.03450	3.7
191.07086	3.3
191.10661	3.3
192.00526	4.3
193.01369	29.4
193.08601	28.9
194.02010	1.8
194.09058	1.7
201.11247	3.0
203.07091	2.3
205.08655	10.4
206.02109	5.4
207.10132	3.0
217.01398	2.9
217.08620	8.1
219.06616	10.1
219.10138	5.2
220.07018	1.8
221.08107	6.3
222.01636	2.3
231.02965	3.6
231.06631	6.1
231.10141	2.5
233.08208	8.9
235.02399	1.9
235.09720	46.1
236.10062	2.7
245.08173	12.9
247.09644	8.1
251.09274	2.2
261.07645	32.2
262.08136	2.2
263.09250	14.3
265.10828	13.3
273.07706	27.3
273.80185	1.7
274.08157	3.9
275.09235	16.7
276.09540	3.3
277.07318	3.1
279.08664	7.9
284.43893	1.7
285.04068	3.3
289.07083	9.9
291.08755	29.1
292.09103	1.8
293.10284	22.3
294.10587	3.1
303.08701	9.5
303.12524	1.4
305.10287	4.6
309.09634	2.0
319.08240	59.9
320.08508	4.8
321.09909	9.6
322.10083	1.6
323.11337	6.4
337.12885	2.1
345.06189	4.7
349.09296	19.7
350.09521	1.7
355.13892	3.3
375.11194	2.3
393.12161	2.7
395.13660	2.1
411.10779	15.2
421.11032	3.1
429.11868	100.0
430.12250	14.2
439.12405	7.1
441.11880	5.9
459.13104	21.4
460.13226	4.1
505.26456	3.3
527.29852	2.1
531.14880	3.1
549.15808	5.9
549.23431	11.7
549.30334	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	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	7.7
59.01248	31.2
59.48451	2.0
61.98707	9.7
65.00188	5.2
66.07543	2.1
71.01246	8.6
71.53626	2.6
73.02845	3.9
75.00743	2.3
83.01270	6.9
85.02838	8.1
88.00268	2.0
88.98697	4.3
89.02318	4.6
92.77286	2.2
93.03346	6.3
95.01265	5.3
95.04877	5.2
97.02815	6.1
99.00764	3.3
101.02316	6.1
107.04888	2.6
108.02065	5.0
109.02838	38.2
109.06485	4.9
111.00757	7.6
113.02335	5.1
119.04916	4.5
121.02836	10.6
121.32844	2.1
122.98420	2.6
123.00759	4.3
123.04414	7.3
124.01586	12.6
124.07337	2.2
125.02366	14.4
125.09622	2.9
127.03941	2.6
133.06497	10.6
135.04401	4.8
136.01488	3.3
137.02345	100.0
138.02733	3.7
139.03912	5.2
140.01112	2.9
147.04375	3.1
147.08012	3.1
149.02354	28.2
149.09550	4.3
150.03143	3.6
151.00279	5.6
151.03914	9.4
151.07520	5.1
152.01070	2.9
153.01857	10.6
159.04471	2.4
161.02342	5.0
163.03929	5.3
164.01083	4.7
165.01830	5.8
165.09097	6.1
166.02617	6.5
167.03430	8.0
168.00540	6.0
168.34227	2.0
169.01337	3.6
170.60689	2.2
174.03079	2.4
175.03928	6.1
175.07603	4.8
175.86278	2.1
176.01073	4.4
177.01807	7.3
177.09106	2.2
178.02632	3.3
179.03404	5.8
179.07083	5.5
181.01353	5.4
182.02153	9.9
189.01851	3.1
190.02586	4.0
191.03488	8.1
192.04047	2.2
193.01357	22.2
193.04956	4.3
193.08640	27.1
201.01930	2.4
201.05447	3.0
205.08626	8.5
207.02882	2.2
209.00833	5.5
209.08147	9.7
210.01599	12.3
211.02118	2.1
213.05379	2.5
217.08807	3.6
219.02934	5.2
219.06538	25.1
221.08119	16.1
231.03001	2.9
231.06590	7.7
231.99902	3.0
233.08116	16.9
235.06032	2.7
235.09752	15.9
237.00412	8.0
237.07678	7.5
247.09740	3.4
249.07568	7.2
251.09201	12.0
252.09637	2.3
255.06685	2.3
261.07748	11.1
263.09381	2.2
265.10617	4.9
273.07831	4.1
275.09256	5.5
277.07162	29.4
278.07410	4.5
283.09927	2.5
287.09424	2.6
289.07202	9.6
291.08798	4.7
293.17615	8.2
299.07657	30.1
300.08075	3.7
303.08820	15.8
311.07675	5.1
329.12448	6.9
355.06561	6.4
357.04715	5.0
360.04877	5.1
369.09613	4.2
385.12613	3.4
401.12277	7.0
411.10904	11.5
423.12848	6.8
429.11914	51.9
430.12003	5.1
441.11697	3.7
459.12927	17.3
489.34308	4.1
513.13977	2.3
531.15198	18.2
532.15491	4.5
549.08917	3.2
549.16162	41.4
550.16608	10.2
550.27686	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	549.1252
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.14927	0.9
57.03319	2.5
59.01251	13.0
60.31202	1.0
61.98697	1.3
65.00191	2.2
66.25520	0.9
69.03324	2.6
71.01250	11.0
71.49476	1.1
73.02821	2.7
75.00732	1.1
83.01256	2.6
83.39224	1.1
85.02823	12.8
89.02317	4.9
92.87799	0.9
95.01251	1.4
97.06499	1.2
99.00735	2.0
101.02337	6.0
109.02826	3.0
111.00760	2.0
113.02328	5.5
119.03379	1.5
121.02847	2.0
123.08063	1.4
125.02316	3.2
125.09576	1.5
129.01804	1.9
133.02818	2.1
133.06464	2.6
135.04404	2.1
136.01556	1.3
137.02344	8.8
145.02763	1.7
149.02310	2.5
151.00276	4.8
153.01855	2.6
158.51558	1.1
161.02357	5.1
165.01805	2.0
167.03334	1.0
175.02428	1.1
175.03867	1.2
176.01056	1.0
177.01854	2.9
177.09200	1.1
179.03406	1.6
185.00809	1.9
191.01833	2.4
193.01276	1.6
193.08667	2.6
198.03178	1.3
199.03816	1.4
201.01808	2.4
202.02621	2.7
203.03389	1.1
209.02994	1.3
211.04034	1.2
213.01762	1.5
214.02538	3.9
215.03352	1.7
219.06580	4.1
221.08058	3.7
227.03351	1.7
229.66031	1.1
230.02158	12.8
231.02783	1.5
231.06523	1.7
233.08098	1.5
241.01407	6.2
242.02190	17.5
243.02823	6.8
245.00696	1.2
257.00839	2.8
258.01642	17.3
259.02414	6.5
261.00323	1.3
269.00809	2.1
270.01715	14.6
271.02362	6.9
272.03165	3.0
273.04053	15.4
274.01123	7.1
274.04257	2.2
277.07126	3.4
285.00949	1.1
285.04019	6.1
286.01187	19.9
287.01883	9.1
287.05191	2.0
298.01193	7.0
299.01825	4.0
300.02585	1.8
301.03497	22.4
301.06906	1.3
302.03836	3.1
313.03418	2.9
314.00687	3.0
314.98022	2.1
315.01508	21.0
315.05075	2.3
316.02036	1.7
316.05853	3.9
327.04990	1.9
328.05811	3.0
329.03015	100.0
330.03625	27.3
331.04111	1.3
344.05356	62.5
345.06091	97.6
346.06433	10.3
369.09698	3.0
373.09109	4.1
383.13513	1.5
387.11002	2.5
399.12943	2.5
411.13330	1.9
439.12405	3.9
531.28253	1.4
546.38922	1.1
549.12451	64.5
549.29279	23.7
550.12854	8.8
550.30011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.4
65.35806	0.2
71.52137	0.4
77.03829	1.8
93.03335	0.4
113.50614	0.2
117.03331	1.3
119.04908	4.8
120.05235	0.5
121.02840	100.0
122.03166	4.1
145.02843	1.9
151.00339	0.2
162.03084	0.2
163.03929	2.6
165.01839	55.3
166.02161	2.7
177.01768	0.2
180.05627	0.5
180.99065	0.3
181.06497	2.7
191.03484	0.3
197.06010	2.1
207.04405	0.8
207.08057	0.4
210.39996	0.2
213.05743	0.2
223.03928	0.3
225.05547	1.4
235.78932	0.3
257.09821	0.7
285.09146	0.2
306.55051	0.3
307.75815	0.2
313.07101	1.3
357.06113	0.9
383.07544	0.6
417.09842	2.4
418.10294	0.4
505.11487	1.9
549.10358	25.9
549.67627	0.4
550.10675	5.7
577.53674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82162	0.4
59.01252	2.3
61.98720	0.5
63.02256	0.6
65.00185	1.8
69.45064	3.1
71.01251	1.8
83.01250	1.0
83.24495	0.4
85.02828	2.5
89.02313	1.1
93.03340	1.2
101.02343	0.8
106.83447	0.5
107.01275	3.3
108.02030	1.8
109.02834	2.6
113.02346	0.5
119.01306	0.5
119.04907	0.5
121.02847	2.4
125.02337	0.8
135.00751	0.9
135.04390	1.1
137.02362	2.5
139.03937	0.5
145.44814	0.5
148.01549	1.7
149.02351	0.8
151.00266	12.5
152.00882	0.5
153.01807	1.0
159.04388	0.5
163.00262	2.7
164.01051	1.2
165.01884	0.7
167.03445	0.8
169.01367	0.8
175.03864	0.6
178.99800	5.8
183.04398	1.0
185.05844	0.4
187.03914	0.8
191.01930	0.4
195.99872	0.5
199.03926	1.6
211.03928	1.6
215.03374	0.9
216.04156	0.8
226.02638	1.7
227.03485	3.1
243.02948	14.0
244.03484	1.4
245.04503	1.3
254.02156	2.5
255.02963	32.6
256.03345	2.5
257.04449	0.4
271.02472	64.7
272.02930	6.3
273.04129	0.9
283.02423	1.3
284.02972	0.5
285.04041	0.5
299.01929	1.9
300.02728	100.0
301.03455	45.6
302.03796	3.9
321.23987	0.6
343.04404	0.6
463.08862	3.3
505.09885	67.5
506.10150	8.7
549.29663	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	549.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	15.8
59.01260	24.1
65.00186	9.1
69.03331	5.5
70.06963	6.7
71.01256	17.6
72.99184	3.7
73.02807	4.3
75.00748	4.1
83.01249	9.8
85.02818	67.5
89.02296	6.5
93.03329	5.1
96.95861	3.0
97.02818	5.4
99.00808	4.5
101.02325	11.4
107.01256	11.0
109.02826	6.4
111.00704	2.8
113.02346	4.5
119.03399	4.6
119.04854	2.8
121.02810	14.6
123.04417	3.6
123.08015	3.7
124.01526	4.0
125.02325	3.8
125.05968	5.8
125.09595	6.2
129.01810	9.4
133.02888	2.8
135.04387	7.1
137.02335	11.9
139.03929	5.6
141.09146	2.8
147.02850	9.9
149.02345	5.8
151.00256	42.1
151.03896	9.2
155.10715	4.1
161.02327	9.4
161.04411	3.2
163.00214	4.3
163.03923	5.2
165.01793	4.6
166.02582	8.6
167.03366	6.4
175.00212	3.0
175.03896	9.4
177.01796	5.6
178.99763	6.9
179.03365	6.0
181.04996	5.7
185.00816	3.5
189.05537	2.9
191.01915	21.3
191.03452	3.8
191.07028	4.8
193.01302	3.7
201.01917	2.6
209.02910	3.6
209.08133	12.1
217.05009	4.4
223.04419	4.1
224.04779	3.5
224.95111	2.5
225.05212	4.9
227.03453	13.7
227.07022	3.3
229.10732	7.3
235.06117	8.1
243.02931	8.1
243.12547	5.9
251.09265	3.1
254.43390	2.5
255.02986	33.4
263.05588	7.2
265.07275	2.8
271.02469	28.9
283.02832	2.9
284.03287	29.1
285.03909	10.2
300.02722	68.3
301.03528	100.0
302.03827	8.6
302.11118	4.4
359.11349	5.9
369.09631	6.3
387.10638	36.2
387.14737	5.3
416.28842	3.1
429.11948	12.7
430.11795	3.2
459.12744	6.0
505.09845	86.3
506.10590	13.6
531.28351	5.7
549.11823	21.9
549.29297	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.5
59.01252	38.8
60.01579	0.8
61.98702	100.0
63.33962	0.7
65.00192	2.0
65.44382	0.5
66.72884	0.6
71.01253	5.4
72.85300	0.5
72.99197	0.9
73.02827	3.0
74.02351	0.9
83.01258	1.7
85.02827	2.6
87.00767	0.5
89.02319	2.7
93.03331	1.3
95.01279	2.1
99.00748	0.6
101.02319	4.6
108.02069	1.2
109.02863	1.6
109.06505	1.7
111.00754	1.0
113.02318	2.9
119.03369	0.8
121.02884	2.2
123.00787	1.3
124.01556	5.1
125.02316	0.7
125.09619	2.0
131.08603	0.9
133.06517	2.9
135.04411	0.8
136.01523	0.6
137.02353	4.1
143.03400	0.7
149.02379	2.5
149.09845	0.6
151.00363	0.9
151.07574	2.3
152.00989	1.3
159.10295	0.8
160.01678	0.8
161.02399	1.4
161.04504	1.7
163.00354	1.0
163.03964	1.2
164.01128	1.8
165.01906	1.8
173.02380	0.6
175.00279	1.3
175.03889	0.8
175.07625	2.2
176.01129	2.1
177.01849	4.3
177.09193	1.0
178.99765	0.6
189.01894	0.9
191.03508	0.8
191.07141	2.1
192.00554	4.4
193.01372	5.3
193.04959	0.7
193.08629	14.5
193.10379	0.9
205.04916	0.7
217.01151	0.6
219.06581	10.1
219.08505	0.9
220.07359	1.0
220.94199	0.5
221.08105	8.2
221.76717	0.6
227.03444	0.8
231.06654	0.9
237.07742	0.7
242.64932	0.6
245.08229	0.9
247.06107	10.4
249.07762	2.4
256.03839	1.3
289.90271	0.6
297.11414	0.7
325.10892	1.8
341.10266	8.2
343.29684	0.7
351.08728	8.5
355.06708	9.5
369.09885	4.9
487.32687	1.3
488.33246	2.3
489.33987	0.9
504.28317	1.0
507.35638	1.1
521.16968	2.1
531.15320	3.3
537.43878	0.6
549.16174	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	547.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
57.59155	0.4
59.01238	1.6
61.98697	5.0
65.00205	0.9
69.97650	0.9
69.98038	1.6
71.01264	0.9
72.83943	0.4
79.93876	0.4
85.02813	1.5
87.00765	0.4
88.98679	0.8
93.03307	0.5
97.02849	0.7
101.02277	0.7
109.02835	3.9
119.01243	0.6
121.02840	1.6
125.02348	0.8
125.05962	0.6
128.03416	0.9
133.02789	0.7
135.04373	1.0
137.02335	1.2
139.03938	0.9
143.04512	1.2
147.00731	0.9
148.01587	0.5
149.02356	1.5
151.00220	0.7
161.02321	1.1
163.00307	1.4
163.03883	0.7
165.01814	1.5
175.00301	1.9
175.03763	0.6
177.01840	1.9
181.04866	0.6
185.05972	1.1
195.04445	0.5
197.05908	1.2
199.03844	0.7
212.04681	0.6
213.05466	2.1
215.03369	0.5
216.04216	0.5
217.04991	1.1
223.03946	0.7
225.05461	0.6
227.03429	0.5
229.05028	1.8
235.06097	2.5
239.03377	1.4
240.04239	4.5
241.04973	6.6
242.02203	0.8
255.02859	0.8
256.03635	0.8
257.04504	12.0
258.04929	1.2
263.05634	0.8
267.02957	1.8
268.03711	5.4
269.04510	3.7
270.01584	1.3
271.02405	1.0
272.08914	0.6
279.06592	0.5
283.02289	0.6
284.03116	1.2
285.04025	50.4
286.04440	6.5
297.03909	0.9
312.02722	1.2
312.99847	0.6
313.03510	23.3
314.04254	28.8
315.04980	5.8
327.05112	0.6
339.08691	0.6
346.03256	1.7
349.06903	3.1
366.07489	1.0
367.08145	2.8
384.08472	18.7
385.09201	13.7
386.09674	1.2
427.10172	0.8
447.09821	0.6
477.10254	1.0
485.12433	1.1
515.08185	0.9
547.14514	100.0
548.14838	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	547.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07727	0.4
55.01760	0.5
56.86150	0.5
57.03334	2.0
57.99784	0.3
59.01248	100.0
60.01586	1.0
60.10220	0.4
61.98700	24.7
63.70056	0.4
69.03331	0.4
69.57368	2.3
71.01250	17.9
71.04897	0.5
72.99170	0.6
73.02818	4.6
75.00750	0.8
83.01257	3.7
85.02821	10.9
86.03170	0.5
87.00748	1.0
89.02304	3.3
95.01279	1.9
96.95877	0.4
97.02843	1.0
99.00750	2.4
101.02320	10.3
104.38020	0.5
104.48080	0.4
111.00786	1.3
113.02322	10.7
119.03439	1.1
119.04924	1.4
121.02855	1.1
121.10101	2.2
124.01547	0.5
125.02355	1.4
129.01918	0.6
143.03433	1.8
145.02873	1.0
149.02328	0.5
151.03963	0.8
155.39059	0.4
159.02902	1.2
161.02490	1.0
161.04466	7.2
161.05789	0.5
163.03960	1.8
171.10280	0.4
179.03561	0.7
179.05437	0.4
185.15434	1.5
191.03525	0.8
193.08698	0.8
209.03008	0.4
219.02925	0.4
235.09750	0.6
266.01089	0.4
285.04120	0.4
325.23849	0.6
325.27328	0.8
329.19849	1.7
343.28723	1.5
347.20703	3.0
399.14529	0.9
410.81485	0.4
427.14014	2.6
428.14474	0.7
457.15576	1.0
457.32327	0.6
487.32748	31.6
488.33047	4.5
505.33768	16.4
505.41019	0.7
506.34100	2.8
547.18634	1.6
547.35150	0.7
548.18854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03049	0.4
57.03325	6.1
59.01244	3.8
61.98699	0.7
68.99676	0.8
69.03318	0.4
69.51772	1.7
71.01252	4.6
72.99177	1.1
73.02813	1.1
75.00745	1.9
79.29465	0.3
81.33962	0.3
83.01262	4.5
84.02032	1.2
85.02823	38.0
86.03149	0.8
87.00745	1.6
88.01521	0.4
89.02318	0.5
96.95895	1.6
98.20499	0.6
98.95457	1.0
99.00729	0.4
101.02316	4.6
103.00206	0.6
103.03882	0.7
109.02847	0.8
111.00764	20.0
112.01117	0.5
125.02311	0.5
128.12767	0.3
129.01833	11.7
133.02841	0.7
135.04399	1.8
137.02390	0.6
141.01817	0.5
143.03334	0.5
145.02814	0.4
147.01765	0.5
147.02861	2.9
159.03085	0.4
161.02324	1.3
161.04465	1.6
167.03348	0.4
169.01303	0.4
179.03438	0.9
187.02365	1.2
187.03889	0.5
191.01913	0.8
191.05557	0.8
205.03468	22.3
206.03841	0.7
223.04538	100.0
224.04897	4.8
241.05006	0.5
242.05748	0.4
243.06561	1.8
263.99936	0.4
267.06775	0.3
301.65121	0.3
330.00742	0.4
355.08185	0.6
361.18393	0.3
367.06299	0.4
385.07745	4.7
386.08145	0.6
547.24030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39379	0.2
55.01760	1.3
56.90394	0.2
57.03321	5.7
59.01244	3.9
61.98701	2.5
66.20586	0.3
68.99675	0.6
69.32951	1.1
69.33375	0.8
71.01250	4.3
72.99178	0.8
73.02818	0.5
75.00741	1.7
83.01251	3.7
83.02299	0.3
84.02039	1.1
85.02821	36.6
86.03146	1.1
87.00767	2.0
89.02292	0.3
96.95886	0.5
99.00767	0.3
101.02316	4.0
103.00253	0.7
103.03878	0.6
111.00762	18.8
112.01077	0.4
113.02341	0.4
119.04923	1.5
125.02352	0.8
129.01830	12.8
133.02844	0.8
135.04399	3.2
136.48511	0.3
137.02342	0.3
143.03387	0.6
147.02890	3.1
149.02293	0.3
150.03091	0.5
161.02367	2.3
161.04413	1.4
163.03871	1.4
165.05492	0.4
173.00824	0.4
179.03438	1.6
187.02402	1.1
191.01906	2.1
191.03517	0.4
191.05479	1.5
205.03468	21.4
206.03816	1.0
209.03023	0.6
223.04536	100.0
224.04887	3.9
241.35999	0.2
247.06039	0.3
374.04236	0.3
385.07797	5.4
386.07959	0.6
548.17041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58690	0.2
55.01762	0.9
57.03327	1.1
58.00461	0.4
59.01251	100.0
60.01583	1.4
60.18642	0.2
61.98693	1.0
69.03332	0.5
70.48306	0.2
70.86352	0.5
71.01253	15.2
71.04925	0.3
72.99196	0.8
73.02821	4.4
75.00764	0.4
83.01254	3.1
83.01710	0.3
85.02821	8.8
85.06483	0.2
85.99962	0.4
86.03170	0.2
87.00748	1.2
89.02319	2.6
93.03361	0.3
95.01260	1.5
96.95952	0.2
97.02851	0.7
97.06494	1.2
98.46316	0.2
99.00753	2.0
101.02325	8.9
111.00781	0.9
112.01540	0.3
113.02328	8.8
119.02669	0.2
119.03391	1.0
121.10118	0.3
124.01565	0.3
125.02365	0.9
135.04370	0.3
143.03438	1.1
143.04420	0.2
154.43388	0.2
159.02930	1.0
161.04460	3.9
191.05589	0.5
211.13342	0.3
213.18634	0.6
225.18561	0.4
246.61885	0.2
249.35524	0.2
253.09439	0.3
281.24832	0.3
285.04102	0.3
293.25027	0.5
305.25012	0.8
309.20856	1.0
322.72772	0.2
323.25870	0.3
341.26849	1.6
375.23669	0.2
393.26205	0.2
398.62549	0.2
413.25735	0.3
419.28366	0.2
425.12314	0.3
425.29437	0.4
437.29434	0.6
444.73795	0.2
448.10617	0.2
449.29028	1.8
450.29901	0.4
455.30359	0.6
467.30084	2.4
468.30634	0.6
485.31168	13.3
486.31393	2.0
503.32266	14.9
504.32593	2.1
512.37244	0.2
543.67566	0.2
545.17242	0.4
545.33209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03321	1.2
59.01251	15.1
61.98707	2.9
69.03336	1.3
71.01257	11.3
72.99178	1.1
73.02826	2.4
75.49110	0.5
79.61360	0.4
81.03342	0.5
83.01266	1.5
83.04878	0.8
85.02822	3.4
87.00755	2.1
89.02321	12.1
93.03346	0.9
93.06953	0.7
95.01272	1.3
96.95873	0.7
97.02836	0.7
97.06499	0.8
99.00755	0.6
101.02325	10.9
109.06417	0.5
111.08042	18.2
112.08419	0.5
113.02330	6.6
117.03358	1.9
119.03402	2.9
119.04903	4.5
123.08057	0.6
125.02306	0.6
127.07566	0.7
131.03391	0.8
134.49983	0.4
135.04436	0.6
141.09062	0.5
143.03391	1.3
145.02863	4.5
151.00189	0.5
151.11197	0.7
153.09073	0.6
153.12741	1.5
161.02370	0.5
161.04465	6.0
163.03903	2.3
169.12273	6.8
171.10197	1.3
177.05513	0.8
179.05612	2.1
179.10713	0.7
181.12271	1.3
183.13831	1.3
191.05525	1.7
193.12309	0.8
195.10106	0.4
195.13873	0.5
197.11765	91.7
198.12080	5.3
199.13321	5.6
199.21793	0.4
207.13882	0.9
209.11591	0.5
211.13341	10.9
212.13696	1.0
213.55630	0.5
223.13391	0.8
225.14896	4.9
227.12776	2.0
230.11514	0.5
233.21907	0.4
247.17062	0.5
247.20760	0.9
253.09256	51.2
254.09564	2.9
263.20102	5.2
265.18045	3.2
273.18585	1.6
285.04144	0.6
291.19666	28.7
292.20068	2.7
298.25079	0.4
309.20703	100.0
310.21045	12.4
321.00189	0.5
339.08679	0.5
389.97498	0.4
433.20670	0.8
501.29514	0.7
539.31329	0.4
545.18054	4.1
545.28259	1.4
546.18732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
58.00463	1.3
59.01250	15.7
61.98700	1.5
69.03323	1.8
70.28652	1.7
71.01251	12.3
72.99191	1.0
73.02813	1.8
83.01248	1.2
83.04887	0.7
85.02824	2.6
87.00758	2.1
89.01822	0.8
89.02319	9.3
93.03316	0.8
95.01287	1.0
95.04889	0.6
96.95897	1.0
97.06471	0.6
98.84935	0.4
101.02325	12.3
109.06471	1.0
111.08038	16.5
112.08335	0.6
113.02329	6.2
117.03296	0.9
119.03406	3.4
119.04910	2.7
119.08570	1.1
123.08067	0.5
125.02337	0.8
127.07524	1.5
137.09605	1.4
143.03395	1.0
145.02896	2.4
149.04463	0.5
151.11197	1.3
153.09138	0.6
153.12733	1.6
155.10616	0.6
161.04469	6.0
163.03918	2.0
167.10638	0.7
169.12285	4.5
170.12532	0.5
171.10179	5.2
173.04565	0.7
179.05536	1.9
181.12285	2.0
183.13818	1.1
185.11748	1.5
191.05592	1.2
197.11758	74.4
198.12070	4.4
199.13306	5.5
209.15431	1.3
211.13327	7.3
212.13754	0.7
221.11646	0.5
223.16963	0.6
227.12834	1.7
235.07797	0.5
251.16560	1.2
253.09253	46.6
254.09573	3.2
263.20151	5.5
264.20578	0.4
265.17981	1.5
273.18530	2.1
285.03967	0.7
291.19656	26.8
292.19839	2.6
309.20694	100.0
310.21060	9.5
450.54993	0.5
453.22321	0.6
471.23352	0.6
527.28687	0.6
545.19684	0.7
545.27234	2.2
546.28711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.7
61.63206	0.7
61.98695	2.5
70.60019	2.6
71.01243	1.3
78.95759	1.1
93.03339	0.9
95.92257	0.8
96.95902	2.6
117.03347	52.4
118.03646	2.4
119.04919	71.2
120.05251	2.4
121.02839	3.4
123.04401	1.8
127.12317	0.8
132.05708	2.5
133.02875	2.9
133.06512	0.9
135.04401	4.3
145.02853	92.5
146.03198	4.6
161.02347	6.1
163.03911	35.5
164.04262	1.9
173.02344	1.0
177.05495	6.2
179.03423	2.1
181.12161	1.0
186.03139	1.7
201.05568	5.7
209.11789	2.4
222.17032	0.8
232.05507	1.0
253.09177	1.3
265.05011	2.0
291.19644	3.0
293.04562	1.7
294.05215	1.0
295.05975	1.1
296.06876	1.1
299.05289	1.0
307.06088	1.3
308.07010	1.0
309.04031	1.9
309.20642	5.4
311.09357	2.6
324.06369	1.4
336.06677	1.1
337.07239	1.5
339.08688	12.5
340.09042	1.2
351.08911	1.6
352.09271	1.1
353.10361	1.4
354.11166	4.2
367.11850	3.2
368.05569	1.4
369.13300	1.5
383.07669	2.3
397.08929	1.0
398.10065	2.8
399.14798	1.1
413.12427	8.0
414.12967	0.9
453.22974	1.7
530.16156	1.4
545.18219	100.0
545.27222	7.1
546.18567	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	545.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37338	0.3
57.03337	0.5
59.01254	3.7
61.98732	1.1
65.00220	0.3
65.05614	0.4
65.09348	0.4
68.99725	0.4
69.47011	2.4
71.01250	2.1
72.99194	0.6
73.02830	0.4
75.00759	0.5
79.01785	0.4
83.01281	0.4
85.02824	2.6
87.00812	0.8
89.02340	0.9
95.01286	0.4
96.95916	0.7
97.02858	0.6
98.47607	0.3
99.00787	1.0
101.02332	0.5
109.02850	0.7
113.02328	2.3
119.04910	0.7
121.02863	1.0
122.85943	0.3
125.02344	0.6
125.72772	0.4
126.02613	0.4
129.01709	0.4
132.38187	0.3
133.02856	3.4
134.03671	1.9
135.00798	0.4
135.04404	0.5
136.55542	0.3
137.02348	0.6
140.74913	0.4
145.02905	0.7
161.02411	1.2
163.00241	1.9
163.03958	0.9
164.01147	0.7
165.01802	1.8
175.02486	0.7
175.03944	0.9
177.01877	0.6
191.03603	0.4
192.54784	0.3
199.03993	0.5
201.01889	1.1
201.05757	0.4
202.02646	0.5
203.67274	0.4
213.05475	0.5
214.06204	0.6
221.08107	1.6
225.05492	0.7
227.03343	0.5
241.05016	0.8
253.05037	0.9
254.05704	0.4
255.02998	0.8
269.04456	3.4
270.02661	0.3
270.05133	1.8
284.03302	0.5
285.04166	0.6
297.04031	12.2
298.04797	53.1
299.05493	20.5
300.05875	1.7
312.06281	0.3
330.03705	1.0
335.09192	0.6
337.03650	0.5
351.08624	3.2
368.08887	1.2
369.09769	100.0
370.10120	14.3
370.14133	0.3
379.08359	0.8
383.11728	2.2
501.04932	0.4
545.12805	12.1
545.29608	0.4
546.13397	2.7
563.14093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51927	1.6
55.01769	1.8
56.05111	1.6
57.03320	3.6
59.01252	75.4
60.12261	1.7
61.98706	8.0
65.67348	1.4
66.59770	1.7
67.50558	1.5
69.03313	1.9
71.01253	20.6
72.99194	3.0
73.02830	4.6
75.00764	1.7
78.98463	3.5
79.95610	11.4
80.96392	61.7
81.03316	2.4
83.01254	3.7
85.02809	11.8
87.00759	5.0
88.98690	2.6
89.02332	6.2
93.03358	3.0
94.97954	13.6
96.95879	4.8
97.02824	3.9
99.00764	3.0
101.02343	9.6
106.97974	2.0
113.02332	4.5
116.92734	2.5
125.02343	12.3
131.03441	3.2
133.02892	2.4
134.03705	1.8
134.97491	2.8
135.04399	2.7
137.02339	3.5
139.03862	2.3
143.03394	1.9
148.05193	14.2
148.99063	7.7
151.00247	2.2
152.98537	5.1
160.01631	2.7
161.02365	2.0
161.04454	2.1
163.03873	3.0
163.07559	5.7
164.98566	9.7
165.01848	2.2
175.03874	2.8
177.01756	1.7
191.05510	2.1
194.42657	1.5
201.39542	1.7
206.99724	3.6
207.13887	2.1
211.13324	4.0
225.00681	14.6
233.06694	1.8
268.88187	1.7
275.07755	18.1
285.03891	2.5
293.08899	4.0
299.04443	2.3
335.09872	5.3
366.07452	4.0
381.09882	18.7
382.10141	2.0
423.10938	5.9
428.09564	3.4
511.17990	2.5
525.16211	6.3
526.16571	2.0
543.21246	100.0
544.21838	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	540.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77460	1.1
57.90948	1.2
59.01257	3.4
61.98697	6.0
69.03325	10.3
71.01247	3.6
75.50375	1.3
78.95776	1.7
79.01773	3.2
80.96397	2.5
83.01285	2.0
85.02826	4.1
89.02307	1.6
93.03329	2.5
97.02845	2.1
98.79362	1.3
99.00762	1.9
101.02325	2.9
102.66044	1.6
109.02834	3.7
111.04399	2.2
113.02325	2.4
119.04877	1.5
120.99587	1.6
121.02843	7.2
125.02357	4.4
135.04427	6.1
137.02386	1.6
139.03902	6.0
141.01784	3.8
149.02330	7.2
151.03908	4.9
153.01848	2.6
161.02339	3.3
163.03908	4.8
165.01842	5.0
167.03459	1.5
175.03833	2.4
177.01883	5.6
178.02638	1.5
179.03424	7.1
185.00858	5.5
189.01903	1.4
190.02654	1.4
191.03413	1.7
193.05046	1.8
205.01387	2.7
207.02937	12.7
208.03320	1.6
219.02943	1.8
220.03708	2.4
235.02502	4.8
237.03979	2.5
285.04068	4.0
314.04364	7.3
315.05045	4.8
327.05005	4.7
329.06635	11.4
330.07053	1.8
357.06155	100.0
358.06610	12.6
369.05969	1.7
379.06863	3.7
387.07181	12.0
399.06906	1.7
432.33044	1.6
477.10345	71.9
478.10751	12.8
539.34082	3.0
541.19696	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	539.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01243	1.7
61.98691	0.4
62.29073	0.3
65.00248	0.3
67.22196	0.3
69.51892	2.3
71.01267	1.5
73.02825	0.4
76.28763	0.3
83.01244	0.4
85.02830	1.2
87.00762	0.3
89.02306	0.5
93.03349	0.3
98.20462	0.4
101.02323	0.6
107.01248	0.4
109.02855	0.4
111.00791	0.4
113.02303	0.4
118.97966	0.4
119.03339	0.4
120.99542	100.0
121.99917	1.9
125.02349	1.0
137.02370	0.6
147.04410	0.3
151.00233	1.3
152.07118	0.4
153.01787	0.6
161.02336	0.7
163.03838	0.4
165.01895	0.4
166.00844	0.7
167.03348	0.3
175.03891	0.9
177.05444	0.6
179.03442	0.8
181.03206	1.4
192.06302	0.3
192.99605	1.1
196.01875	0.4
221.08249	0.4
223.04272	0.6
241.05357	1.3
299.05637	0.5
300.05933	0.7
329.07193	0.4
333.04352	0.4
377.81781	0.3
387.07404	0.5
477.10406	0.4
539.08972	0.4
539.34235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
55.23504	0.4
59.01251	1.0
63.96119	0.8
69.03314	0.6
70.05419	1.6
71.01253	7.3
72.99189	0.4
73.02821	1.7
78.98457	5.9
79.95605	10.7
80.96391	69.7
81.03332	0.8
83.01246	0.5
85.02823	2.7
87.00751	2.5
94.97961	16.5
96.95901	1.4
97.02840	1.5
99.00755	0.7
101.02322	2.6
106.97955	3.6
113.02303	0.4
121.41903	0.4
122.97461	3.3
125.02335	2.8
127.03930	1.0
134.97487	4.5
136.99022	1.5
148.99062	6.0
152.98553	5.0
164.98541	10.9
206.99687	2.3
225.00691	13.4
226.01006	0.8
239.20149	1.4
299.04407	3.5
539.25311	100.0
540.25623	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	539.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85712	0.5
55.64019	0.5
57.03323	0.8
59.01249	3.0
63.27047	0.5
63.96114	1.2
69.03312	0.6
69.32501	4.3
71.01253	7.5
73.02826	1.8
73.40416	0.5
78.95743	0.6
78.98463	7.4
79.95602	9.6
80.96391	73.8
81.03310	1.0
83.69204	0.5
85.02822	3.2
87.00742	2.6
94.97959	17.2
96.95867	1.0
97.02841	1.9
99.00775	0.6
101.02318	2.8
104.71923	0.6
106.97970	3.5
113.02309	0.5
122.97468	3.7
125.02345	3.0
127.03899	0.8
134.97487	5.2
136.99045	2.1
148.99039	6.4
152.98531	5.6
154.15799	0.6
164.98553	13.4
167.00142	0.6
200.18864	0.6
206.99718	1.8
222.16769	0.6
225.00711	16.1
226.00981	0.6
239.20117	1.8
241.21672	7.0
290.12985	0.6
298.27264	0.6
299.04327	3.3
466.29510	4.4
488.76050	0.7
539.25305	100.0
540.25580	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	538.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24143	0.5
59.01249	29.1
61.21202	0.6
61.98695	0.9
66.27752	0.6
69.94748	2.6
78.95773	18.3
96.96825	1.0
98.19830	0.9
152.99471	3.0
168.04231	2.8
221.19113	0.9
224.06892	7.9
239.20114	100.0
240.20439	9.2
242.07945	2.1
264.05893	0.6
301.23315	0.6
464.27777	59.4
465.28094	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	539.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58690	0.7
58.00416	1.0
59.01184	29.4
59.01511	2.7
59.96355	0.6
66.77830	0.7
69.69910	3.9
71.01180	26.1
71.01612	1.6
72.01516	0.8
72.99129	1.8
73.02740	2.3
75.00683	1.4
78.53359	0.7
78.95695	0.9
83.01213	1.6
85.02818	9.7
87.00748	6.2
89.02312	38.3
89.02829	1.8
95.01191	1.7
96.95846	1.2
98.19807	0.9
98.89236	0.7
99.00687	1.1
101.02316	19.0
111.00665	0.9
113.02318	19.8
119.03380	9.3
121.02849	3.5
122.84800	0.7
125.02266	2.2
129.01776	0.9
131.03313	2.4
135.04332	1.9
143.03410	4.9
149.04395	1.3
161.04451	9.1
170.51740	0.8
179.05519	30.9
197.02011	0.9
197.04364	3.5
201.70721	0.7
209.02986	4.0
221.04852	0.9
221.06609	9.0
233.06584	1.2
261.67813	0.8
281.08713	1.3
323.09827	12.6
339.07043	1.2
341.10843	4.5
359.07269	1.6
377.08621	7.9
377.13351	1.1
383.11853	1.8
503.16165	100.0
504.16492	11.5
539.13849	40.8
540.14185	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	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79696	0.8
56.75410	0.8
59.01259	1.0
60.99177	8.2
71.01235	1.0
71.32674	1.2
71.33025	1.3
74.98991	0.9
76.62220	0.8
77.87434	0.9
78.14892	0.8
78.20045	0.9
83.24829	1.1
88.98677	53.6
89.02290	1.7
97.02841	1.1
99.00773	1.0
109.02864	2.2
114.30448	0.9
118.80900	0.8
118.97981	6.8
121.02853	2.1
125.02385	1.5
133.02837	9.1
135.04474	1.4
149.02362	2.5
151.00273	1.8
151.03929	1.5
151.05968	0.9
153.01822	1.2
161.02385	1.1
163.03944	2.7
165.01851	3.5
167.03477	1.3
175.03931	2.6
177.01839	1.6
193.01384	3.1
201.01860	1.5
213.05528	1.0
215.03433	1.1
225.05556	1.4
241.05022	1.2
269.04538	1.5
284.03317	8.6
285.03964	7.4
287.72928	0.9
296.60895	1.0
297.03992	13.4
298.04709	6.9
299.05603	16.8
300.05902	1.5
309.04120	1.0
311.05673	2.2
327.05069	100.0
328.05536	11.1
329.02200	1.1
339.05048	2.7
357.06134	29.5
357.10449	1.8
358.06311	3.3
369.06049	2.6
393.06042	1.3
399.06436	1.1
422.60068	1.0
447.09302	87.5
448.09689	14.3
537.10730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52624	0.3
59.01251	100.0
59.79858	0.4
60.01589	0.8
61.98708	0.7
70.73326	0.8
78.95773	5.3
89.23428	0.3
93.42765	0.4
96.96889	0.5
100.06190	0.4
107.74599	0.3
119.04926	1.5
121.02857	0.4
130.24745	0.3
145.02869	0.7
152.99489	7.5
156.97644	0.3
161.33424	0.4
163.03941	0.4
167.14651	0.3
184.08217	0.3
245.61072	0.3
299.16058	0.4
319.70737	0.3
328.69345	0.4
333.70404	0.3
353.13620	0.9
419.31793	0.5
433.71216	0.4
457.36893	1.0
535.26685	1.6
536.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03323	1.7
58.00461	1.4
59.01250	22.8
61.32307	0.3
61.98685	1.0
65.00183	0.4
68.99680	0.4
69.03312	0.5
71.01254	21.0
71.53312	0.4
72.01543	0.5
72.99176	2.3
73.02820	5.2
75.00744	1.7
79.87643	0.3
81.03354	0.3
83.01252	3.8
84.01572	0.4
85.02824	10.6
85.99973	0.9
87.00742	1.5
89.02318	8.2
93.03303	0.4
95.01263	2.7
96.95885	0.6
97.02813	0.5
99.00755	2.3
101.02326	13.6
109.02859	0.6
111.00754	1.2
113.02325	6.8
118.18591	0.3
119.03407	2.0
121.02805	0.7
123.06784	0.3
125.02338	1.1
125.09615	0.7
127.11192	0.9
129.01775	0.5
135.04425	6.1
136.04736	1.3
137.02356	0.7
137.04939	0.4
139.00259	0.4
149.05923	0.7
149.07272	0.3
150.03090	0.4
153.05516	0.9
153.12718	0.3
155.10670	0.4
157.12206	0.5
158.73323	0.3
159.02859	0.5
161.02318	0.4
161.04437	1.0
165.05484	1.2
167.03412	0.4
171.13774	1.2
175.03975	0.3
177.01836	2.6
179.03429	0.4
201.14862	1.1
211.13225	0.4
277.06982	0.6
278.07639	0.6
279.07852	0.6
327.25443	0.7
329.26868	1.0
331.08282	0.5
355.24612	0.4
381.08344	0.8
413.12344	0.4
414.12695	0.7
415.12927	4.0
445.13974	1.2
531.91864	0.3
535.31232	100.0
536.31598	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	535.3124
Annotation	glas#24
Peak:m/z	Relative Intensity
50.16988	0.5
50.79397	0.4
52.21371	0.5
52.74702	0.5
55.01751	0.6
57.03313	1.1
58.00434	0.6
59.01248	17.2
61.98694	7.3
63.32205	0.5
70.07056	1.8
70.07424	1.0
71.01251	10.2
72.99174	1.2
73.02817	3.8
75.00767	0.7
78.95766	0.5
83.01244	2.4
85.02828	5.3
87.00743	1.2
87.12405	0.6
89.02311	5.4
92.36335	0.5
95.01272	0.8
95.04874	0.8
97.02856	1.2
99.00742	1.4
101.02324	5.7
108.01994	1.4
109.02837	2.2
111.00777	0.6
113.02341	3.9
119.03407	1.0
123.04404	1.9
125.02358	2.5
135.04414	0.8
137.02327	1.9
151.03896	1.4
152.01039	1.5
153.01768	0.6
158.03578	0.5
161.02328	0.7
161.04536	0.7
167.03407	2.7
179.03334	0.6
185.11729	6.1
188.04822	0.6
203.07022	1.4
205.04987	1.1
245.08145	2.0
285.03937	1.0
285.20398	0.6
289.07184	8.5
290.07480	0.6
355.24805	5.1
358.82117	0.5
373.21457	1.1
373.25916	14.0
374.26178	1.9
476.32092	2.3
499.14072	2.5
517.30316	1.6
518.30255	0.7
535.31213	100.0
536.31512	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	535.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	9.9
59.01248	8.6
60.84986	0.3
61.98674	0.5
63.02275	0.6
65.00204	2.1
67.01732	0.6
68.99670	1.6
69.03305	0.4
69.77357	0.3
71.01258	2.8
71.08852	0.7
73.02808	0.7
75.00791	0.4
81.03334	1.1
83.01255	12.1
85.02814	3.2
87.00761	0.4
88.98696	0.6
89.02312	1.2
93.03320	0.5
96.95886	0.4
97.02838	0.7
101.02351	1.6
107.01254	2.9
109.02832	4.0
111.00769	0.8
113.02345	2.5
119.03365	0.6
121.02838	1.0
122.03625	0.4
123.18396	0.3
124.01538	0.6
125.02332	100.0
126.02673	3.8
132.02084	1.9
133.02840	0.9
134.03629	2.6
135.04411	0.7
137.02328	1.3
139.03889	1.4
143.03418	0.5
147.04469	0.5
149.02339	9.9
149.06024	0.6
150.02698	0.5
151.00269	14.8
152.00790	0.5
152.57964	0.3
153.01834	61.9
154.02153	2.9
160.01559	8.7
161.02347	1.8
161.04433	1.3
165.01741	0.5
165.05498	0.6
167.03397	2.3
169.01328	0.6
175.03917	10.4
176.04417	0.5
177.01848	1.2
178.99797	2.5
179.03439	1.1
179.05499	0.4
190.02594	0.6
191.01819	0.4
191.03355	0.5
191.07086	0.6
193.04977	2.9
195.02922	1.1
205.05057	1.0
209.02899	0.4
235.05948	0.7
265.07205	0.4
285.03864	0.4
295.08170	2.9
298.19696	0.4
337.09283	5.6
338.09628	0.5
348.06665	0.4
366.50278	0.4
412.95328	0.4
463.12433	8.7
464.12659	1.1
491.11267	0.9
535.10559	0.5
535.23969	0.5
535.31134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.7
57.03316	2.1
58.00468	1.3
59.01252	70.9
61.98703	100.0
69.03313	1.6
71.01251	31.4
72.01574	1.5
72.99165	2.1
73.02819	25.3
75.00729	2.1
83.01253	11.6
85.02824	12.3
87.00733	2.0
89.02314	11.8
90.02647	1.1
90.98463	3.4
93.58730	0.9
98.19760	2.9
99.00751	2.3
101.02324	40.2
101.03002	2.1
105.04396	1.0
111.00787	1.5
113.02352	12.5
119.03369	6.3
123.04411	0.8
125.02309	3.3
129.03267	1.0
129.86499	1.1
131.03386	3.7
137.02296	1.6
143.03386	3.6
146.03690	1.0
149.04454	4.2
151.03801	1.1
153.09291	1.0
161.04466	10.0
161.05702	1.6
162.04784	1.6
165.09135	10.3
167.03433	1.1
167.99216	1.5
169.62816	0.9
177.01869	2.0
179.05482	1.5
183.01653	2.7
187.11217	3.1
191.01872	1.3
198.03970	5.7
205.12250	2.3
209.02885	2.4
221.06630	1.7
223.13422	1.2
285.03964	2.1
313.03436	1.1
329.06357	1.0
355.00769	1.2
358.38071	1.1
385.18369	1.3
392.75333	1.1
410.04208	1.2
427.19662	2.7
491.11948	4.2
493.22845	1.6
534.26361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78163	3.0
53.66953	3.4
59.01250	56.0
61.98702	18.1
71.01256	18.6
71.52970	2.7
73.02805	17.2
78.95779	4.9
79.92108	2.8
83.01247	6.5
85.02816	9.5
88.54146	2.6
89.02315	6.8
91.64233	3.1
101.02317	10.5
109.02857	3.3
113.02341	3.4
118.18231	3.2
119.04886	4.9
121.02813	6.8
125.02338	4.7
135.04437	3.7
152.99454	3.6
161.02345	5.0
163.03883	3.8
164.03842	3.0
176.72391	3.0
233.07278	3.4
234.49409	2.6
239.20236	3.5
267.19650	2.9
285.20673	40.2
328.18884	2.7
372.73883	3.6
412.11023	4.8
413.11365	12.4
447.25912	6.3
489.27017	100.0
490.27426	17.3
533.10352	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	533.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42488	0.2
50.86686	0.2
55.01756	1.6
57.03046	0.2
57.03321	2.5
58.00482	1.0
59.01251	22.3
60.01574	0.3
61.98692	0.6
68.99677	0.5
69.03316	0.6
70.49859	0.2
71.01252	22.6
72.01592	0.4
72.99172	1.6
73.02818	6.5
75.00740	1.7
81.03273	0.2
83.01257	4.2
83.04868	0.2
85.02821	11.8
85.99961	0.9
86.03114	0.3
87.00747	1.6
87.04373	0.2
89.02317	7.9
93.03313	0.3
95.01259	2.2
97.02836	0.7
97.06446	0.4
99.00761	2.3
101.02323	14.9
109.02786	0.4
111.00756	1.1
113.02332	7.9
114.02670	0.4
118.97917	0.2
119.03380	2.3
119.04902	0.5
121.02850	0.3
123.08032	0.6
125.02319	0.8
125.09638	1.4
127.11167	0.9
128.03410	0.5
129.01801	0.6
131.03358	0.2
133.02824	0.7
134.03653	0.2
135.04395	1.7
137.02333	0.5
137.09590	0.4
143.03444	0.4
151.00212	0.2
151.03923	0.3
152.99506	0.2
153.12698	0.2
155.10663	1.0
159.02911	0.6
160.01534	0.2
161.02364	1.4
161.04431	1.1
163.03896	0.5
167.03447	0.2
168.10057	0.2
169.12239	0.2
171.13843	1.3
175.03934	0.4
177.01776	0.2
177.05533	0.2
178.02718	0.2
179.03326	0.3
191.01843	0.4
193.04880	0.3
195.89528	0.2
200.14128	0.2
201.14902	0.5
207.53554	0.2
209.02927	0.9
222.59320	0.3
232.84549	0.2
253.05023	0.3
277.07220	0.5
285.04141	0.8
327.25427	1.2
329.06689	0.4
353.23532	0.6
362.19421	0.6
371.24576	0.4
394.18793	0.3
413.12372	1.5
443.13586	0.3
443.65363	0.2
489.30658	0.7
490.31107	0.3
499.40497	0.2
533.29669	100.0
534.30072	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	533.2968
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01753	2.2
57.03313	2.4
58.00456	1.0
59.01252	21.4
61.98706	0.5
62.79536	0.3
66.91046	0.4
68.99699	0.3
69.53184	0.6
69.53593	1.5
71.01253	21.7
72.99190	2.1
73.02818	6.4
73.42308	0.3
75.00743	0.8
83.01260	3.9
85.02821	10.9
85.99973	0.9
87.00742	1.2
89.02315	7.1
93.03330	0.4
95.01279	2.3
97.02814	0.6
99.00745	2.7
101.02321	13.1
102.02644	0.4
106.13828	0.4
111.00744	1.6
113.02332	6.6
119.03355	2.1
119.04847	0.4
121.02797	0.3
121.24724	0.4
123.08070	0.4
125.02284	0.9
125.09603	1.2
127.11175	1.0
129.01805	0.8
133.02852	0.9
135.04398	1.1
137.02306	0.4
153.12892	0.4
155.10675	1.0
161.02335	3.1
161.04463	0.5
171.13751	0.9
185.00859	0.3
191.01883	0.5
195.00696	0.4
201.15002	0.5
209.02974	0.6
210.80527	0.4
227.88390	0.3
235.06578	0.4
259.03986	0.4
285.04114	0.6
307.05521	0.4
321.38782	0.3
327.25378	1.5
329.06570	0.7
362.19537	0.7
383.38660	0.3
413.12347	0.5
489.30872	0.9
533.29694	100.0
534.30048	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01249	1.9
69.23144	2.6
69.23544	0.7
70.45762	0.4
71.01250	1.2
81.03311	0.5
85.02821	11.7
87.00745	2.6
93.03347	3.1
109.02795	0.6
111.04404	1.2
127.03901	2.2
129.01855	0.6
154.63416	0.4
171.02856	1.0
173.04483	1.0
191.05545	100.0
192.05887	4.8
209.02989	1.4
243.06482	0.7
290.51761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15557	0.9
57.03325	5.7
59.01250	8.3
65.00175	4.5
68.99680	2.2
69.03332	0.8
69.66012	3.2
69.66416	1.8
71.01242	3.0
71.12586	0.9
73.02815	1.7
75.00744	2.9
81.03345	0.9
83.01254	2.0
83.34158	0.8
85.02818	2.8
87.31936	0.8
89.02319	1.4
93.03348	0.8
95.01272	1.0
97.25068	0.9
101.02296	2.4
107.04887	1.0
109.02832	3.7
109.06467	2.0
113.02328	1.8
119.04948	1.0
121.02841	2.5
122.03545	1.0
123.04412	8.2
124.01554	18.2
125.02355	1.4
125.09618	8.8
133.02789	1.1
133.06462	9.5
135.04402	4.2
135.13498	0.7
137.02347	3.7
139.03868	3.4
142.90225	0.9
147.04398	1.2
148.01552	1.4
149.02350	9.1
149.05972	1.2
149.09639	3.3
150.03122	2.4
151.00262	2.0
151.03865	3.6
151.07539	7.2
152.01056	6.4
159.04410	1.5
161.02327	3.3
161.05930	1.3
163.00340	1.1
165.01854	3.0
166.02544	1.3
172.05223	0.9
174.03143	1.6
175.03900	6.7
175.07491	4.9
176.01060	2.0
177.01848	24.3
177.05408	1.3
177.09117	3.0
178.02361	1.7
179.03386	0.9
188.04663	1.6
189.05489	2.8
191.03496	3.0
191.07047	2.1
193.08624	90.1
194.09000	5.6
199.03816	1.1
201.01910	1.9
201.05670	0.9
205.08615	2.4
209.02890	1.2
214.06403	1.1
217.05013	3.2
217.08606	4.1
219.06583	35.0
219.08733	1.7
220.07014	3.9
221.08142	26.7
222.08505	2.2
229.05035	1.8
233.08130	1.1
237.07552	1.7
240.04277	4.3
241.04842	1.6
243.06624	5.1
244.07138	0.9
245.08156	3.4
247.06085	21.9
248.06444	2.8
249.07664	11.3
256.03738	4.3
261.07858	1.0
263.09174	1.6
267.10287	2.5
273.07584	1.2
277.07202	1.0
284.03113	1.9
285.11243	1.2
309.11398	2.3
327.12323	6.3
343.11823	28.2
344.12305	3.4
353.10284	48.1
354.10742	7.5
367.11929	5.0
368.11749	0.9
371.11331	100.0
372.11627	12.5
381.11740	1.5
402.92511	1.0
403.96115	0.9
409.11343	8.1
411.13010	7.9
412.12955	1.0
413.12549	4.2
443.13068	1.7
505.17297	1.8
515.15448	3.3
533.16187	1.1
533.29419	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20063	0.4
57.03315	1.4
59.01237	0.9
65.00185	1.2
66.08066	0.4
68.99668	0.6
69.03320	0.8
69.79768	0.7
69.80157	1.1
71.01255	0.8
80.02538	0.6
81.03330	2.2
83.01266	2.8
85.02825	1.2
93.03343	2.1
95.01258	1.3
95.04924	1.3
95.31583	0.4
97.02818	2.6
98.20496	0.7
99.04395	1.0
106.04147	0.6
107.01275	0.8
107.04885	1.0
108.02042	1.4
109.02846	5.3
109.06487	1.4
109.99981	1.1
111.00790	1.0
111.04337	0.6
113.02332	1.0
121.02840	2.8
122.03625	2.6
123.00760	1.2
123.04415	7.9
124.01565	7.5
125.02371	3.8
125.09593	1.5
133.02873	0.6
133.06485	3.0
135.04411	1.4
135.08028	0.4
136.01549	1.8
137.02330	4.9
138.03107	6.2
139.03937	2.4
139.04816	0.4
145.02872	0.6
146.03659	0.7
147.04408	1.7
147.08099	0.7
148.01543	0.7
148.05188	0.5
149.02341	7.4
149.09621	4.7
150.03128	2.7
151.00278	0.6
151.03922	5.4
151.07495	1.2
152.01056	1.5
153.01768	0.9
159.04413	1.0
161.02348	1.9
161.06003	0.5
161.09662	1.0
162.03094	1.0
163.00241	1.1
163.03882	1.8
163.07553	0.4
163.11195	0.7
164.01076	1.9
164.04663	0.8
165.01816	2.9
165.09132	2.4
166.02620	10.8
167.03348	0.5
167.10733	2.0
172.05232	0.5
173.02364	0.6
173.09694	0.8
174.03120	1.2
175.03903	5.9
175.07565	1.5
175.11201	0.4
176.01062	0.6
176.04715	0.5
177.01846	7.6
177.05493	0.7
177.09140	0.6
178.02615	0.6
179.03418	1.8
187.03868	0.9
187.07629	0.5
188.04684	1.8
188.98253	0.4
189.01857	1.2
189.05440	0.7
189.09132	1.4
190.02640	1.0
191.03445	9.0
191.07030	1.5
191.10703	2.6
192.00565	0.8
192.03758	0.8
193.01418	1.9
193.04997	0.6
193.08629	21.7
194.02078	1.7
194.08936	1.6
199.07596	0.5
201.01837	2.3
201.05473	0.7
201.09117	0.5
203.03433	1.2
203.07109	1.2
204.07713	0.5
205.08653	5.5
206.09013	0.9
207.02835	0.7
207.10207	1.8
208.40344	0.5
213.05493	0.8
215.03374	1.4
215.10748	0.8
216.04115	0.8
217.05043	0.8
217.08621	2.3
219.03012	3.2
219.06569	6.6
219.10158	1.6
220.03575	0.6
220.07207	0.6
221.00870	1.6
221.08174	3.1
223.09750	1.7
224.03214	0.7
227.06995	0.6
229.04997	0.9
229.08641	0.5
230.05731	0.9
231.06607	2.2
231.10350	0.6
232.07280	0.5
233.08142	7.9
233.11732	0.5
234.08946	2.0
235.09705	29.8
236.10120	2.5
240.04326	0.6
241.05049	0.7
242.05783	0.5
243.06535	1.0
243.10173	0.7
244.07291	0.6
245.08185	1.9
247.06056	2.0
247.09712	2.0
249.07677	1.1
251.02016	0.5
254.05844	0.5
257.04361	0.8
257.08191	1.4
257.11847	1.7
258.05365	0.6
258.08896	2.2
259.05951	0.6
259.09723	0.5
260.06699	0.6
261.07681	6.3
262.08395	1.6
263.09238	2.9
265.10745	6.6
266.11096	0.7
267.10413	0.8
271.06177	0.5
273.07611	1.9
275.09058	0.5
277.10831	0.7
285.07660	1.1
285.11273	1.6
286.08493	0.9
287.09024	0.9
289.07153	6.7
290.07483	0.7
291.08746	5.9
292.09302	1.2
298.04868	0.8
303.08789	0.9
319.08224	1.7
321.09842	1.3
325.03357	0.4
341.13773	0.4
343.11816	2.0
351.12280	1.1
353.10089	2.8
355.12134	0.6
365.10336	0.9
367.11896	0.9
369.13455	2.5
370.13690	0.5
371.11429	1.8
371.24277	0.5
385.07999	0.7
385.12930	12.6
386.13281	1.6
395.11353	13.9
396.11597	2.2
397.13205	0.6
399.14365	0.8
413.12402	100.0
414.12741	15.7
415.13965	4.4
416.14450	0.6
425.12372	5.0
426.12494	0.7
437.11777	0.4
443.13464	37.6
444.13806	6.9
455.13461	3.1
473.14261	0.6
479.13794	0.7
485.14523	0.9
497.14441	1.5
509.74557	0.6
515.15497	3.5
516.15710	0.6
533.17340	2.6
533.29761	3.8
534.17212	0.6
534.29932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
56.46251	0.5
57.03313	1.8
58.00460	0.4
59.01248	12.8
61.98702	1.0
62.63142	0.4
65.00192	4.9
66.74892	0.4
68.99689	1.6
69.03325	1.7
69.58382	1.4
69.58777	0.8
71.01252	10.7
72.99173	0.8
73.02805	2.8
74.38641	0.4
75.00764	0.6
79.01762	1.8
81.03329	1.3
83.01258	12.8
85.02820	7.2
87.00736	0.9
89.02319	3.4
93.03351	1.4
95.01260	2.6
95.04892	0.8
96.95846	0.5
97.02829	1.7
98.19872	0.7
99.00764	1.1
101.02315	6.7
103.05427	0.5
105.03364	0.5
107.01287	3.2
107.04905	1.3
108.02061	1.1
109.02864	3.8
111.00739	1.0
113.02330	5.4
119.03386	1.5
119.04953	1.1
121.02872	1.4
121.06478	2.2
123.00761	0.9
123.04440	0.6
123.08045	4.0
124.01554	2.0
125.02374	2.4
125.05946	1.5
125.09635	0.8
127.11143	0.5
129.01833	1.0
131.04965	0.5
133.02841	1.5
134.03618	1.7
135.04413	94.0
136.01552	1.3
136.04752	4.1
137.02374	3.3
137.05936	0.5
138.03094	0.9
145.02829	1.5
145.06502	0.6
147.04410	0.6
147.08063	1.3
148.01575	0.8
149.02396	0.6
149.05981	11.8
149.99477	0.4
150.03090	1.0
151.00290	1.6
151.07492	0.6
153.01822	0.5
155.10754	0.7
157.76859	0.4
159.04390	1.0
159.08092	0.7
161.02361	4.3
161.04422	0.8
161.05911	0.8
163.00301	2.8
163.03969	1.0
163.07434	0.9
164.01053	4.8
165.01845	1.4
165.05481	1.0
165.09128	2.4
166.02592	1.4
167.03368	1.3
167.07011	1.6
170.36176	0.5
171.13841	0.9
173.05997	1.4
174.03120	0.9
175.00313	0.6
175.03889	1.1
175.07600	0.5
176.01010	0.7
177.01816	1.1
178.02638	1.0
179.06960	0.9
181.08568	1.0
187.07507	0.5
189.01820	0.9
189.09160	1.5
190.02657	0.8
191.01860	0.7
191.07104	2.6
192.00566	5.2
193.01189	0.8
201.05530	0.8
203.07104	1.1
205.08665	0.8
206.02063	0.5
207.06470	1.0
209.03006	2.4
209.08156	4.6
210.01585	0.6
215.07030	0.7
217.04945	0.8
219.06642	1.0
221.08144	2.0
222.01656	1.4
227.06891	0.7
233.04610	0.5
233.08139	6.8
234.08453	0.5
235.06081	7.4
239.09247	1.0
241.04932	0.9
247.06126	3.3
249.05254	0.6
249.07545	3.5
251.09195	5.8
252.09592	0.5
259.06082	1.3
261.07709	1.4
263.09256	1.7
275.05594	0.5
275.09195	0.8
277.07178	28.9
278.07599	2.4
281.10278	1.3
285.04047	0.9
289.07147	1.9
291.08807	0.7
299.05542	0.5
303.08856	1.1
307.08240	6.4
327.25409	0.8
328.05942	1.4
329.06335	0.8
371.11191	2.1
395.11243	1.7
413.12411	100.0
414.12717	15.2
425.12479	1.4
443.13452	30.3
444.13885	4.7
455.13571	3.0
479.13608	1.1
485.14655	0.7
497.14526	1.0
515.15686	2.3
533.17865	5.7
533.29675	45.4
534.17206	1.1
534.30109	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.4
59.01254	16.7
61.98702	12.5
67.14949	1.3
71.01241	5.8
71.53355	1.6
73.02798	1.4
76.47977	1.5
81.03322	3.9
83.01237	3.2
85.02831	7.4
87.00726	1.5
89.02326	2.0
92.79282	1.2
93.03317	2.2
95.01255	1.6
95.04883	2.1
95.73312	1.2
97.02795	3.2
99.00817	1.3
99.04374	1.3
101.02325	4.7
107.01254	1.5
107.04881	1.6
108.02031	2.0
109.02792	6.7
111.00729	2.5
113.02313	3.9
119.04893	1.2
121.02830	4.4
122.03647	3.1
123.00723	1.5
123.04395	8.5
124.01579	7.5
125.02349	6.4
133.02812	1.9
133.06490	4.1
135.04393	6.0
136.01552	2.6
137.02313	5.5
138.03090	4.3
139.03899	3.6
145.02834	1.7
147.04356	2.7
148.97556	1.2
149.02383	8.6
149.09604	5.3
150.03041	3.9
151.03882	5.8
151.07483	1.9
152.00989	2.7
153.01895	1.2
154.75850	1.3
161.02316	2.4
163.03896	3.9
164.00999	1.8
165.01871	3.1
165.09113	2.0
166.02643	14.7
166.67921	1.3
167.03349	1.5
175.03961	8.5
175.07521	1.5
177.01880	8.4
179.03351	2.4
185.11765	3.0
189.01831	2.0
189.05563	1.9
190.02603	2.9
191.01906	1.6
191.03403	10.8
191.07123	1.5
191.10742	2.5
193.01328	2.5
193.08638	25.0
194.02071	2.4
194.08734	1.5
201.01834	2.8
205.08630	6.6
207.10127	1.6
209.02977	3.2
215.03511	2.4
217.08517	2.0
219.02916	3.3
219.06531	5.4
221.00916	1.7
221.08122	3.1
231.06544	4.0
233.08159	9.3
234.08720	2.5
235.07503	2.0
235.09734	29.2
236.10104	2.1
245.08127	3.3
247.06087	2.2
247.09648	2.5
257.08194	2.2
258.08893	1.9
261.07620	4.4
262.08319	2.0
263.09183	2.9
265.10764	5.8
273.07669	2.3
287.05374	1.8
289.07217	7.6
291.08679	5.8
319.08414	2.1
321.09711	1.8
343.11493	2.4
353.10226	4.7
369.13406	3.7
371.11212	4.5
371.24478	4.6
385.12921	14.2
386.13147	1.8
395.11411	13.8
413.12427	100.0
414.12708	16.2
415.13885	3.9
425.12317	3.9
443.13449	38.1
444.13672	4.2
455.13629	3.8
470.12985	1.8
484.58395	1.4
515.15582	3.2
533.16522	3.2
533.29730	36.3
534.30322	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.7
58.24785	0.6
59.01249	8.9
61.98695	1.4
63.02272	0.9
65.00185	2.8
67.82440	0.6
68.11923	0.7
68.77057	0.7
71.01259	5.9
73.02826	1.4
83.01244	2.1
85.02818	5.8
87.00720	1.0
88.92315	0.7
89.02327	2.4
93.03347	2.6
96.95885	0.7
97.02805	1.1
98.19782	2.6
101.02329	2.2
102.20885	0.7
107.08529	0.8
108.02077	1.6
109.02835	3.6
109.06484	4.1
111.00755	1.1
113.02320	2.0
119.03343	0.9
119.04905	1.7
121.02872	3.9
122.03501	0.9
123.04405	11.0
123.08009	0.8
124.00751	1.2
124.01567	9.9
125.02350	5.3
125.09610	4.7
129.01784	1.1
133.02859	2.1
133.06480	10.0
134.03647	0.8
134.06804	1.0
135.04428	3.6
136.01648	0.9
137.02382	6.7
139.03917	3.5
145.02852	1.1
147.04453	1.3
148.01527	1.5
149.02348	7.7
149.05971	1.2
149.09653	3.5
150.03108	2.5
151.00233	1.7
151.03886	3.9
151.07552	7.0
152.01050	2.3
153.01830	0.8
159.04469	0.9
160.01537	1.2
161.02374	2.2
161.04475	1.3
162.03006	0.8
163.00230	0.9
163.03902	1.1
165.01831	2.9
167.03403	0.9
171.04483	0.9
174.03148	1.0
175.03951	5.4
175.07552	4.7
176.01060	7.5
177.01843	24.5
177.05386	1.4
178.02382	1.3
179.03375	2.7
185.06079	0.8
188.04814	1.0
189.01866	4.1
190.02615	0.8
191.01825	1.3
191.03426	2.2
191.07089	1.5
192.99545	2.5
193.08623	66.9
194.08948	4.0
195.02927	2.3
199.03954	2.1
201.01857	5.0
201.05582	1.4
202.02557	1.0
203.06989	1.9
205.05086	1.2
205.08577	1.5
209.02954	5.1
215.03418	0.8
217.05005	1.9
217.08530	1.7
219.06567	33.0
220.07030	3.2
221.08141	15.6
222.08540	1.5
224.35756	0.7
225.05716	0.8
227.03535	1.4
227.07111	0.8
228.04292	1.0
229.04889	1.5
230.05801	1.9
231.06572	12.7
232.06903	1.3
237.07602	1.3
240.04306	3.9
241.04987	1.3
243.02847	0.9
243.06580	4.9
244.07443	3.7
245.08150	3.1
247.06085	17.5
248.06357	1.3
249.07599	2.8
255.02859	0.9
255.06660	0.9
256.03717	4.3
257.04199	1.0
258.05243	1.6
265.04840	1.0
267.10165	1.2
271.02124	0.8
271.06122	1.8
283.02603	1.2
283.06094	2.0
284.03278	6.6
285.04034	5.9
285.11301	1.4
297.04022	1.7
298.04669	1.0
299.05600	2.6
309.04105	2.2
309.11249	2.3
313.03571	2.8
319.02737	2.5
327.05215	1.1
327.12271	4.9
328.05823	11.5
329.06583	6.9
335.09375	1.0
343.11850	7.1
349.07123	1.2
352.09503	3.5
353.10287	100.0
354.10617	11.8
371.11328	72.6
371.16162	1.7
372.11670	10.5
383.13507	1.0
393.12097	1.3
409.11456	5.3
410.11908	2.4
467.93439	0.9
489.10168	1.0
515.15424	4.5
533.13428	6.6
533.16077	7.1
533.29828	5.3
534.13092	1.4
536.44537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0936
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.87532	0.5
57.03280	0.4
59.01257	3.9
59.93533	0.4
63.02264	1.2
65.00209	0.7
69.38223	1.4
69.38633	1.6
72.99181	0.5
74.98941	0.4
83.01247	1.5
85.02822	3.7
101.02342	0.8
107.01278	2.5
109.02840	1.0
113.02319	0.9
116.38949	0.4
117.19594	0.4
121.02814	0.9
125.02309	0.5
129.01833	0.5
133.02821	4.0
134.03598	1.5
135.04451	0.4
136.01610	0.5
137.02342	2.2
147.02936	0.4
149.02322	1.1
149.99449	0.5
151.00269	4.4
156.94153	0.4
161.02408	0.5
175.03931	2.0
187.03926	0.5
188.04721	0.5
191.01859	1.1
199.03923	1.9
201.01967	0.8
209.02960	4.7
211.03995	0.9
213.05632	0.6
215.03308	0.5
217.05170	0.9
227.03461	1.5
229.05113	0.5
239.03543	0.8
255.03001	1.2
256.03793	3.9
257.04303	0.9
258.56326	0.4
265.05603	0.5
277.06934	0.6
284.03262	68.9
285.04022	100.0
286.04391	9.7
297.04050	0.9
298.04837	0.6
302.86316	0.5
327.05063	1.3
371.11584	0.9
392.10181	0.5
394.05975	0.5
413.12354	0.5
429.08270	0.4
447.09354	1.2
489.10370	77.4
490.10706	12.6
534.13348	0.6
554.07544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50420	0.5
57.03321	1.3
59.01250	5.9
61.98674	0.9
63.02259	0.6
65.00192	15.9
68.99671	1.1
70.39279	1.5
70.39636	0.7
71.01237	2.4
72.99151	0.6
83.01256	0.9
85.02817	2.1
85.51928	0.5
87.00768	0.7
89.02306	1.4
95.01261	1.0
101.02323	1.5
104.86343	0.6
105.03351	0.9
105.71463	0.5
108.02128	0.6
109.02829	1.5
109.06461	1.5
113.02301	0.6
115.52419	0.6
121.02835	1.6
122.03626	0.9
123.04415	13.9
124.01534	2.2
125.09590	1.1
127.62216	0.5
129.06987	0.6
129.69624	0.5
131.08507	0.8
133.02858	3.9
133.06487	15.1
134.03648	1.0
134.06831	0.9
135.00731	0.5
135.04408	9.4
137.02315	0.7
149.02324	4.1
149.05957	3.4
149.09689	0.6
149.99518	3.7
150.03128	9.6
151.00322	0.9
151.03914	27.6
151.07530	4.3
152.01060	3.2
152.04213	1.4
159.04378	1.1
161.02330	1.7
163.00296	2.5
165.01820	2.8
175.00285	1.2
175.03894	2.3
175.07571	10.1
176.01102	2.9
176.07942	0.8
177.01849	15.5
189.01836	0.8
189.05493	0.8
191.01872	0.7
191.03560	0.6
193.05034	0.5
193.08630	10.0
194.09076	0.7
199.03897	1.1
201.01964	1.3
205.04999	1.8
209.03055	1.4
209.06104	0.5
211.03854	0.6
217.04968	1.3
219.06567	77.6
220.07004	8.5
221.08049	1.0
225.05605	0.6
227.03523	0.7
237.07664	2.1
240.04268	1.0
241.04826	0.7
247.06117	7.9
253.05127	1.1
256.03888	0.8
267.10449	0.6
269.04446	0.9
284.03192	1.7
297.04083	3.2
298.04684	1.7
309.04016	5.5
309.11368	0.7
310.04721	3.7
313.09396	2.7
325.10791	1.2
339.07230	4.2
353.10281	100.0
354.10620	13.9
354.14752	1.0
371.11304	3.2
395.93738	0.5
515.15387	0.7
533.16693	17.7
533.29620	1.3
534.16992	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.4
69.41000	0.7
70.91748	2.0
71.01249	1.6
71.12877	0.7
77.03802	0.7
83.01243	0.8
85.02829	4.0
89.02285	0.7
95.01293	0.8
109.02843	2.4
119.04909	1.0
121.02867	1.2
123.00763	0.8
125.02358	2.5
133.02849	8.5
135.04388	1.7
137.02361	0.9
147.04434	0.7
149.02310	1.1
151.00304	2.2
151.03854	0.9
153.01744	1.2
161.02357	1.1
163.00308	1.2
163.03940	3.2
165.01822	2.2
175.03908	2.7
177.01830	1.4
178.99741	1.3
185.00723	0.8
188.86763	0.7
189.01743	1.0
191.01895	1.5
191.03476	1.7
193.01385	1.3
199.03885	1.1
201.01814	1.3
209.02983	3.7
211.03860	0.9
211.07542	0.8
212.04706	1.1
213.05547	1.2
215.03421	0.8
227.03476	0.8
240.04164	1.2
241.04997	1.1
243.02797	0.8
255.06625	1.2
271.05975	0.8
284.03226	7.2
285.03909	6.5
297.04065	11.5
298.04767	6.6
299.05563	17.2
300.05945	1.5
309.03937	1.3
311.05539	2.1
327.05072	100.0
328.05432	11.1
339.05087	2.3
340.04663	3.3
353.06674	1.6
357.06155	17.4
358.06131	4.2
369.06332	1.8
383.07599	2.2
388.06653	1.0
393.05719	1.1
429.08203	2.1
443.09656	0.8
447.09390	1.1
489.10349	24.7
490.10840	3.1
533.13190	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	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76880	2.2
56.29204	2.4
57.03334	10.1
59.01246	23.1
61.90793	2.4
64.70318	1.9
68.99695	2.2
70.86813	5.7
71.01260	13.6
72.99201	2.3
75.00740	3.8
83.01271	5.4
84.02051	1.9
85.02823	68.4
89.02309	7.1
95.01226	2.0
97.02895	2.9
101.02313	5.0
108.02004	3.1
109.02825	5.4
111.00812	4.7
115.00252	2.4
115.04872	2.2
116.89425	2.1
119.03398	2.1
121.02835	3.5
123.04447	3.6
125.02312	4.2
129.01825	7.9
132.01897	2.2
133.01337	4.5
133.02841	16.4
134.03380	1.9
135.04405	13.8
137.02417	2.9
147.02895	6.4
149.02303	3.0
151.00285	5.4
151.03850	2.2
152.01062	3.2
161.02335	7.3
163.00339	2.7
163.03874	4.8
165.01842	3.7
167.03433	8.1
175.03886	3.4
177.01849	70.9
178.02216	2.6
179.03412	5.2
181.14151	2.5
191.01918	28.6
191.03551	2.1
191.05630	3.0
205.08708	2.9
209.02960	100.0
209.04921	4.9
210.03297	2.8
213.05470	2.8
241.05095	2.1
251.05481	2.3
271.06299	2.6
279.06424	2.6
284.03259	6.7
285.03979	7.5
287.09259	6.7
297.04077	8.7
298.04800	9.8
299.05673	17.4
306.07553	3.6
311.07706	2.9
323.05704	3.3
327.05090	81.4
328.05463	9.3
340.04724	4.2
357.06204	18.5
358.06067	4.7
371.06134	14.9
371.10901	5.0
372.06479	4.3
429.08389	3.7
447.09460	3.0
489.10452	34.7
490.04202	3.4
490.11050	6.1
518.64087	2.6
533.12488	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	531.2962
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
50.34144	0.2
51.93239	0.2
61.98703	0.3
64.66618	0.2
69.03316	0.3
71.01231	0.3
71.39388	0.3
89.02309	0.5
91.03860	0.6
92.39603	0.2
97.06471	0.6
99.08035	0.4
103.58279	0.2
114.42923	0.2
117.03351	19.5
118.03715	0.8
119.04918	10.4
120.05244	0.4
121.02871	2.2
123.04396	0.8
125.05980	0.6
126.77444	0.2
132.05687	0.3
133.02838	0.6
134.03650	0.4
135.04382	0.4
143.07059	5.2
145.02856	100.0
146.03189	5.6
161.02353	0.3
162.03163	0.6
163.03926	7.6
164.04234	0.3
166.35396	0.2
177.12677	0.2
186.81187	0.2
195.13785	0.2
203.10692	0.5
293.21286	1.1
295.22717	0.3
311.22342	3.0
312.22824	0.3
313.18112	2.9
314.18478	0.3
371.25833	1.0
439.24924	14.8
440.25204	2.2
457.25943	15.5
458.26190	2.7
469.21964	1.1
531.29620	32.2
532.29919	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	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
56.99721	0.4
57.03324	5.0
58.00471	0.4
59.01249	5.2
61.98666	0.5
66.45158	0.3
68.99698	0.7
71.01246	5.1
72.99190	1.4
75.00728	1.6
75.21696	0.4
76.99909	0.4
83.01263	1.4
84.02039	1.5
85.02823	52.2
86.03164	1.2
87.00747	1.2
89.02320	2.7
93.03413	0.4
93.61214	0.4
99.00736	0.5
101.02315	0.9
103.00241	1.5
108.02085	0.4
109.02842	0.4
111.00769	2.6
113.02334	0.7
115.00279	0.4
119.03410	0.5
123.21954	0.4
124.48838	0.3
125.02338	0.5
129.01826	5.9
133.01323	3.1
135.04411	4.2
147.02911	5.8
147.04123	0.7
161.02373	0.7
173.00890	1.7
173.02151	0.4
175.03758	0.4
179.03435	3.2
184.59074	0.4
185.48001	0.4
191.01909	26.2
192.02286	1.0
209.02968	100.0
210.03288	3.5
219.03033	0.5
237.25960	0.4
251.07106	0.4
253.08647	0.5
267.06714	1.0
282.08990	1.6
297.11273	1.9
298.04526	0.5
323.05591	0.4
327.04779	0.6
341.06256	0.6
353.05701	0.5
371.06198	12.7
371.11389	4.9
372.06595	1.0
372.11469	0.8
402.66342	0.4
533.13177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27276	1.5
57.03300	2.0
58.76397	1.3
59.01252	17.8
60.97941	1.2
61.98698	6.8
66.19070	1.3
69.03301	1.7
71.01247	4.9
71.53481	1.7
73.02815	3.4
82.83047	1.4
83.01215	2.4
85.02840	4.8
87.00739	1.5
89.02345	2.0
93.03340	2.1
96.95868	2.9
101.02302	2.4
109.02827	3.8
113.02307	3.4
117.03362	1.7
119.04910	2.7
121.02817	1.4
123.04397	1.7
125.02358	3.5
125.46005	1.6
126.92592	1.5
129.01759	1.6
133.02849	13.8
134.03596	5.9
135.04427	4.7
137.02330	5.6
145.02849	2.4
149.02269	1.9
161.02333	4.2
163.00208	3.7
163.03900	3.3
165.01773	2.5
167.03423	2.9
175.03909	5.2
177.01846	4.8
177.05598	1.5
179.03384	1.5
201.01941	1.6
205.04964	1.6
213.05496	1.9
217.04807	1.4
221.77554	1.4
225.05447	1.9
253.05011	2.5
269.04510	2.9
283.05917	1.7
285.03842	2.2
297.04080	19.8
297.07373	2.1
298.04779	33.0
299.05563	33.5
300.05936	4.3
309.03787	1.4
310.04742	2.6
311.05634	22.4
312.06332	31.4
313.07022	13.4
314.07639	1.6
315.05713	1.7
323.05582	3.3
325.07196	5.5
330.03683	4.5
339.05081	3.9
341.06680	18.6
342.07224	1.6
344.05441	2.4
351.08719	4.3
353.06894	2.8
355.08328	2.4
369.09781	47.7
370.10236	5.7
372.04865	2.2
381.09769	9.3
393.09589	4.5
411.10806	97.9
412.11163	10.7
423.10715	3.0
441.11923	24.8
442.12170	2.9
453.12082	3.4
487.12286	2.6
531.15057	100.0
532.15491	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	531.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32035	0.3
61.98697	0.8
65.00200	0.6
68.99665	0.5
69.34617	1.0
69.35041	1.7
93.03336	1.0
108.02052	0.7
109.02838	3.2
116.77250	0.3
118.57998	0.3
119.04903	0.4
121.02836	7.4
131.01286	2.0
133.06468	1.4
135.00868	0.4
135.04378	0.5
137.02345	0.9
139.03854	0.9
148.01590	1.0
149.02319	2.9
149.05977	0.6
149.09627	0.3
149.99432	0.4
151.07526	0.8
161.02350	1.1
163.00266	5.5
175.00282	21.4
175.03841	0.7
175.07570	0.9
176.00822	1.4
177.01831	0.6
191.07065	0.8
193.08675	0.4
201.05574	0.4
202.13716	0.3
202.99739	2.0
203.03423	1.2
211.03780	0.6
214.05994	0.4
217.01422	0.5
217.05026	1.4
219.06569	5.4
225.05530	0.5
227.03406	1.1
228.04149	0.4
229.05083	0.5
231.06531	0.9
238.80219	0.4
239.03532	0.7
240.04239	0.9
241.04980	2.1
242.02115	0.5
242.05710	0.4
243.02977	0.6
247.06177	2.5
251.03461	0.6
252.04080	0.4
253.04997	1.5
253.40302	0.5
255.02916	0.7
256.03732	2.3
257.04398	2.0
267.02951	1.6
268.03638	0.7
269.04489	3.3
270.01724	0.5
271.02469	1.9
279.03027	3.5
280.03473	0.8
281.04636	0.7
282.04788	0.4
283.02551	1.0
284.03156	1.4
285.04019	4.0
295.02353	2.2
295.09787	1.1
296.03131	1.1
297.04034	6.5
298.04404	0.8
300.02902	1.0
307.02689	0.4
307.06302	0.4
308.03320	0.6
311.09348	2.1
312.02747	1.4
312.09860	0.4
313.03500	6.3
314.04095	1.5
322.08548	0.4
323.09195	6.7
323.12714	0.5
324.09836	0.5
325.03522	40.6
326.03848	3.8
339.08710	16.2
340.09167	2.7
341.10187	0.7
351.08643	0.9
353.06662	0.9
367.08191	1.2
368.08972	65.3
369.09705	57.6
370.10098	5.8
411.10568	0.7
531.15045	100.0
532.15399	15.8
548.94617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.6
61.48230	0.5
61.98684	1.7
69.79384	1.9
69.79792	1.0
71.01251	6.4
72.99177	0.6
73.02847	0.6
78.95780	1.4
83.01251	1.0
85.02807	2.1
87.00755	0.8
89.02318	7.5
95.01223	0.8
95.28048	0.6
98.19825	0.6
101.02334	9.1
102.02739	0.5
111.54616	0.6
113.02336	3.5
115.00247	0.6
119.03363	1.9
119.04881	0.5
121.10109	8.1
122.64226	0.6
127.11138	0.7
152.99492	0.8
161.04486	3.5
171.10179	28.6
172.10530	1.7
179.05487	1.4
195.13849	7.2
196.14163	0.5
223.13292	3.3
228.13538	0.6
231.21140	1.5
235.08238	1.2
253.09251	37.3
254.09724	2.6
256.13187	1.0
275.20148	25.3
276.20532	3.0
285.04089	1.2
291.19617	1.6
292.19925	1.8
293.21216	100.0
294.21579	11.7
408.92853	0.7
447.13583	1.6
448.14426	0.6
529.16876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.3
65.00188	1.5
68.99675	0.3
70.92812	0.5
79.01747	0.5
83.01247	0.5
93.03329	2.5
95.01256	0.5
97.02824	0.6
107.01224	0.3
108.02023	0.3
109.02840	3.1
109.06450	0.7
115.46015	0.2
119.04900	0.3
121.02844	8.6
122.03188	0.5
122.73655	0.2
123.04385	0.7
124.01537	0.4
125.02286	0.5
133.02832	0.7
133.06488	6.2
134.06816	0.3
135.04401	0.4
136.01509	0.6
137.02325	1.0
139.03914	3.8
143.08554	0.3
145.02962	0.3
147.00786	0.5
147.04381	0.4
148.01616	0.5
149.02347	5.2
149.09607	0.9
150.03154	0.2
151.03880	0.5
151.07495	0.4
153.01791	0.3
161.02338	0.7
161.09570	0.3
162.03143	0.3
163.00250	0.7
163.03906	0.6
163.07599	0.6
164.01050	1.1
165.01794	0.3
165.09135	0.5
166.02620	0.4
173.02303	0.3
173.05913	0.3
174.03102	0.8
175.00261	1.9
175.03874	0.8
175.07530	0.7
176.01038	1.0
177.01830	0.8
177.09187	0.3
177.84441	0.2
178.02475	0.2
187.07532	0.9
189.01912	1.6
189.05540	0.4
189.09116	1.1
190.02663	1.5
190.99744	0.4
191.03349	1.1
191.07144	0.5
192.00557	1.0
193.08562	1.7
199.07481	0.3
201.05412	0.4
201.09187	0.3
203.03423	0.6
203.07071	0.6
205.08659	1.6
213.05450	0.3
215.03398	0.5
215.07071	0.6
217.01392	0.5
217.05022	0.6
217.08652	2.6
219.02977	0.3
219.06567	2.4
221.08209	0.3
225.05544	0.4
227.03442	0.3
228.04358	0.3
229.05107	0.3
229.08641	0.5
231.03107	1.3
231.06563	4.5
232.07158	0.5
233.08208	3.4
234.08553	0.4
235.09776	0.5
240.04193	0.5
241.04950	0.6
243.06581	1.0
244.07376	1.3
245.08197	1.4
247.09793	0.6
253.04935	0.5
254.05652	0.5
255.02888	0.4
255.06543	0.6
256.03720	0.3
257.04541	1.0
259.02444	0.4
259.06097	1.3
260.06802	0.8
261.07657	15.6
262.07993	1.5
267.02957	0.3
267.06497	0.3
268.03564	0.3
269.04330	0.4
270.05246	0.3
271.02597	0.3
271.06082	1.2
272.06775	0.3
273.07663	1.5
274.08105	0.3
275.09283	0.4
281.04630	0.5
282.05090	0.5
283.06042	1.0
285.04056	1.1
287.09140	0.3
289.07141	3.2
291.08722	1.8
292.09149	0.3
293.04578	0.5
295.06018	0.4
295.09784	0.3
297.03986	0.9
299.05560	2.0
300.06125	0.3
303.08603	0.5
309.11441	0.6
310.04898	0.3
311.05646	0.9
311.09070	0.5
313.03430	0.7
314.04276	0.9
319.08286	0.7
323.09225	0.5
325.00156	0.4
325.03494	1.7
325.07050	0.4
325.10693	0.4
327.05081	0.3
327.08765	0.3
328.05875	0.6
329.03284	0.3
339.05005	1.6
339.08734	1.3
340.05530	0.6
340.09348	0.4
354.11627	0.3
367.07965	0.3
368.09079	1.7
369.09808	2.7
370.10147	0.2
381.09790	4.4
382.10123	0.6
383.11371	7.1
384.11707	0.7
393.09698	0.6
411.10822	100.0
412.11154	13.4
423.10977	0.9
441.11871	10.6
442.12302	1.3
453.11945	1.2
454.12033	0.3
477.11917	0.3
495.13559	0.4
513.14227	0.5
531.15076	35.9
532.15424	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03330	0.7
58.34909	0.2
59.01251	15.6
61.30165	0.2
61.98706	0.3
69.03338	0.4
70.43938	0.7
71.01253	11.1
71.04895	2.8
72.99189	0.8
73.02811	2.2
76.73598	0.2
78.60154	0.2
78.95772	0.4
83.01250	1.3
83.04909	0.5
85.02813	2.8
87.00766	1.2
89.02316	8.5
91.03903	0.4
94.44987	0.3
95.01267	0.8
97.02830	0.4
97.06480	0.3
99.00761	0.5
101.02323	10.5
102.02681	0.3
109.06515	0.4
113.02331	5.3
119.03410	2.9
119.04884	0.3
120.16911	0.3
125.02346	0.5
131.03389	0.5
133.04941	0.4
135.11681	0.5
143.03424	1.3
152.99481	0.3
157.08536	1.8
161.04471	4.9
177.16386	0.6
179.05533	1.3
191.18015	1.1
202.71861	0.2
209.15399	1.1
217.15887	0.7
219.17561	0.4
221.15370	0.8
231.21133	2.6
232.21431	0.4
233.15443	0.5
235.08125	1.7
235.16997	51.2
236.17336	4.1
237.03969	0.3
253.09261	43.4
254.09570	2.8
257.19125	0.4
275.20145	67.2
276.20517	7.1
293.21222	100.0
294.21545	11.0
305.21268	0.5
345.02744	0.6
349.39224	0.3
377.70615	0.3
394.57080	0.3
469.08151	0.4
530.28473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.5
58.00463	0.4
59.01248	8.3
62.98325	0.3
69.03336	0.3
69.23551	0.3
70.20344	0.8
71.01250	5.9
72.99181	0.3
73.02821	0.8
83.01250	0.6
83.80602	0.3
85.02834	1.1
87.00756	0.6
89.02317	4.7
95.01286	0.3
99.00793	0.4
101.02324	6.3
104.40072	0.3
109.06448	2.0
113.02337	2.6
115.07299	0.3
119.03381	1.3
125.02327	0.3
127.07552	0.6
143.03368	0.6
149.04362	0.3
161.04448	2.7
165.12737	0.3
171.53673	0.3
179.05571	0.8
182.12971	0.5
183.13826	26.9
184.14172	1.5
197.11777	0.5
211.13327	6.8
212.13721	0.5
214.12013	0.3
235.08107	0.4
249.18547	0.4
253.09248	24.5
254.09546	1.2
257.73834	0.3
261.42319	0.3
265.21585	1.3
275.20163	6.3
276.20444	0.6
290.09695	0.3
293.21210	100.0
294.21555	9.5
308.63611	0.3
324.55023	0.3
529.29761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88354	0.3
55.01749	0.4
57.03323	0.4
58.00462	0.4
59.01250	9.6
65.08150	0.3
69.03278	0.3
71.00898	0.5
71.01256	6.2
71.26495	0.2
71.39454	0.4
72.99162	0.6
73.02811	1.1
77.94108	0.3
83.01253	0.6
85.02817	1.6
87.00751	1.0
87.71358	0.2
88.19949	0.3
89.02317	6.9
94.86012	0.3
95.01270	0.4
95.04913	0.3
101.02326	7.6
101.02996	0.4
111.08075	0.3
113.02328	3.5
113.09592	0.4
115.88749	0.3
119.03352	1.7
131.03391	0.4
141.39096	0.2
143.03377	0.7
151.60559	0.3
161.04472	3.3
176.85497	0.2
177.12737	0.4
179.05475	1.1
179.14281	1.0
183.10185	1.2
183.13908	0.4
187.80856	0.3
195.12027	0.5
195.13831	9.9
196.14375	1.1
205.12308	0.7
205.15855	0.5
211.13329	0.6
223.13350	6.8
224.13728	0.8
228.13615	0.6
231.21130	0.4
235.08183	0.4
253.09256	32.4
254.09489	1.3
256.13132	1.3
257.36627	0.3
265.21759	0.4
275.17429	0.4
275.20175	5.9
276.20428	0.5
293.21213	100.0
294.21555	10.9
299.17261	0.3
492.22064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.28003	1.1
57.03310	3.0
59.01250	21.0
63.82919	1.1
69.51839	7.1
71.01250	22.3
72.99187	6.7
73.02800	2.0
75.00747	18.1
77.51631	1.3
78.95770	1.9
85.02818	26.4
87.00745	8.4
89.02314	6.9
89.02792	1.1
95.01262	7.5
98.20580	2.1
99.00746	12.9
101.02343	1.3
103.00245	3.7
113.02329	37.2
114.02625	1.3
115.00312	1.7
117.01812	3.1
129.01817	1.5
148.74127	1.2
152.99429	1.9
157.01360	1.4
163.66991	1.2
175.02382	4.6
205.07147	2.6
223.08107	1.6
229.24178	1.1
249.06128	7.5
255.23264	16.0
267.07217	11.5
279.23291	77.5
280.23672	10.8
296.55023	1.3
477.41211	1.2
480.30710	10.1
485.63391	1.6
511.29227	3.4
529.30182	100.0
530.30609	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19122	0.2
55.01760	0.3
57.03305	0.9
57.11572	0.2
59.00954	0.4
59.01245	8.1
61.98687	0.5
62.79628	0.2
71.01251	6.2
71.04872	0.3
71.52828	0.4
72.99172	0.3
73.02809	0.9
75.00715	0.2
78.95780	0.7
83.01251	0.4
83.68488	0.2
85.02816	1.5
87.00737	0.9
89.02308	5.4
91.03882	0.3
95.01270	0.6
95.04898	0.2
97.06450	0.4
101.02317	5.6
109.06458	0.7
113.02324	2.4
113.09600	4.3
117.03398	0.3
119.03399	1.5
119.04889	1.1
121.10106	1.7
125.02324	0.5
125.09587	0.5
139.11163	0.7
143.03369	0.7
145.02820	0.9
152.99469	1.0
161.04471	2.7
163.03926	0.8
167.10651	0.8
171.10168	5.1
172.10529	0.3
177.12747	0.3
179.05507	1.1
179.10664	0.8
179.14272	0.4
181.12233	0.3
183.10202	0.4
183.13820	6.2
184.14130	0.5
185.11700	0.4
195.13809	3.2
196.14159	0.5
211.13289	2.0
223.13394	2.0
231.21124	0.8
235.08116	0.5
235.17010	1.7
249.22324	0.6
253.09248	25.3
254.09647	1.3
256.13107	0.4
265.21698	0.4
275.20145	10.5
276.20499	1.1
293.21198	100.0
294.21530	11.6
323.60352	0.3
485.09048	0.3
529.28839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34000	0.3
59.01242	1.9
66.18980	0.2
69.46967	2.0
71.01277	0.5
73.02729	0.2
78.95776	0.9
89.02316	0.8
91.03914	0.7
97.06462	0.7
98.19836	0.6
113.09674	0.4
117.03347	18.2
118.03683	1.0
119.04916	49.1
120.05251	2.5
121.02845	2.1
123.04402	0.7
125.05968	0.6
132.05702	3.2
133.02792	0.7
134.03578	0.5
135.11702	0.4
143.07037	5.6
144.59535	0.4
145.02853	100.0
146.03181	4.8
147.11736	0.7
152.99481	0.7
162.03146	0.6
163.03918	29.7
164.04240	1.5
195.13829	0.4
203.10750	0.4
222.21820	0.3
237.07660	1.6
250.66287	0.3
253.09259	0.7
291.19650	1.0
293.21225	5.4
294.21442	0.7
309.20795	1.6
311.16547	1.5
364.89053	0.3
369.24292	0.6
406.95129	0.3
407.48383	0.4
437.23285	19.6
438.23572	3.3
455.24359	19.6
456.24802	3.2
481.62451	0.3
529.28046	46.7
530.28461	9.6
530.35565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
57.03572	0.2
58.00467	0.3
59.01253	5.9
61.98684	0.5
62.22881	0.2
63.93027	0.3
68.19032	0.2
69.03291	0.3
69.35132	1.8
70.98842	0.2
71.01254	4.4
72.99200	0.3
73.02801	0.7
83.01251	0.8
83.04901	0.6
85.02808	1.1
87.00749	0.7
89.02327	3.5
92.04400	0.2
93.06969	0.5
95.01281	0.5
97.06456	0.8
99.00753	0.4
101.02328	4.0
111.08037	0.8
113.02341	1.6
119.03374	0.9
119.04862	0.3
121.10117	4.6
122.10448	0.4
123.08051	0.4
125.02301	0.3
125.09609	3.5
127.11177	0.5
141.12804	0.4
143.03392	0.5
147.08049	0.4
153.09093	0.3
153.12758	0.5
157.31105	0.2
161.04460	2.1
177.12717	0.5
179.05495	0.6
185.10196	0.4
185.11761	5.9
186.12003	0.4
195.13805	1.1
197.11749	1.9
209.11743	0.6
211.13312	1.0
220.54620	0.3
223.13409	0.3
229.19527	0.4
235.08180	0.6
237.94778	0.2
239.10106	0.3
247.20757	1.7
247.89430	0.2
253.09262	17.5
254.09628	1.0
263.20154	2.4
273.18652	3.1
289.17993	0.3
291.19653	100.0
292.19992	10.6
366.13818	0.3
527.28607	3.0
528.28412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17324	1.5
57.03313	4.6
59.01249	21.1
70.54636	1.9
70.54951	2.3
71.01247	23.9
72.99181	7.3
75.00745	24.9
79.37048	1.3
85.02823	28.6
87.00752	11.5
89.02335	8.2
95.01257	7.4
99.00751	12.6
103.00239	4.4
110.92944	1.4
113.01518	2.1
113.02328	42.1
115.00262	3.0
117.01801	2.6
129.01875	2.4
152.99461	4.0
175.02370	4.2
205.07053	2.2
223.08232	1.7
231.05118	1.6
249.06052	7.0
263.67865	1.6
267.07230	10.9
277.21710	63.8
278.22134	8.7
509.27707	3.0
527.28589	100.0
528.28741	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03326	1.2
57.34867	0.3
59.00955	0.3
59.01249	5.9
59.93306	0.2
61.98695	0.4
69.03340	0.3
69.60271	1.4
71.01251	3.9
72.99197	0.3
73.02797	0.4
83.01244	0.3
83.04883	0.7
84.30238	0.2
85.02831	0.9
87.00744	0.9
89.02315	3.1
93.03308	0.5
95.01264	0.3
95.04904	0.5
99.00767	0.3
101.02319	4.3
109.06458	0.6
111.08038	7.8
113.02328	1.9
113.09583	0.4
119.03391	0.8
119.04909	1.4
123.08022	0.4
125.09580	0.4
135.11592	0.3
137.09590	0.5
143.03415	0.7
149.09624	0.7
161.04439	1.6
163.03947	0.6
165.12703	0.3
167.10693	1.9
177.12758	1.4
179.05519	0.4
179.10687	1.7
193.15981	0.2
195.13809	5.1
196.14101	0.5
235.08192	0.5
247.20638	1.9
248.20993	0.3
253.09256	16.7
254.09676	0.8
273.18610	1.6
291.19647	100.0
292.19974	10.6
292.23300	0.4
314.04425	0.3
324.57254	0.3
371.39474	0.3
527.28735	2.2
528.28448	0.6
535.65814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	7.8
59.11274	2.7
63.02253	2.7
65.00177	7.9
66.00839	15.1
69.31889	11.3
69.32315	10.5
71.01238	12.5
72.99173	6.9
78.98459	3.4
79.95600	11.1
80.96392	49.2
83.01270	5.5
85.02812	8.5
87.00727	4.0
94.97955	10.5
95.01245	5.3
98.20621	4.9
98.29217	3.0
99.00723	7.3
107.01234	8.1
108.02115	2.4
109.02817	7.2
111.00741	11.1
113.02327	14.6
123.00763	7.6
125.02343	18.0
131.45462	3.0
133.02795	5.1
134.97496	3.4
137.02315	8.0
139.00275	27.4
141.01791	10.2
147.98566	3.4
148.99005	4.3
149.02292	6.0
151.00258	22.9
152.98500	4.9
153.01839	15.6
154.99725	5.7
161.02252	3.0
163.00255	7.1
164.98471	8.7
165.01845	5.3
166.99753	10.3
168.00549	6.6
169.01332	11.0
175.02406	3.3
176.01076	3.2
177.01836	6.4
178.99806	22.3
181.01332	13.2
190.02654	4.4
190.66611	3.4
190.99655	3.7
193.01320	12.2
193.03355	6.0
194.99303	5.8
197.00806	5.3
199.05064	5.5
201.01909	4.5
203.03493	7.2
205.01315	3.5
205.04947	5.5
206.99332	3.7
209.00804	15.3
213.01743	3.3
215.03456	4.4
222.71893	3.1
225.00482	23.9
231.02998	7.0
233.04478	10.1
235.02480	4.2
243.02936	4.5
245.04425	4.5
247.02362	4.8
259.02472	8.2
261.04132	3.5
271.02469	13.0
285.03986	12.6
287.01932	8.3
288.02335	4.7
289.03616	8.9
299.01794	4.8
300.02707	3.8
315.01346	8.7
316.02182	5.7
317.02875	14.5
325.03308	3.7
333.02417	16.4
334.03104	4.0
351.03070	6.0
351.06732	4.5
352.04572	10.0
385.04083	3.9
401.03583	5.7
493.06396	4.3
527.10034	4.5
527.17987	100.0
528.07117	3.4
528.18323	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.2
61.98691	5.4
68.25825	1.7
70.99474	9.3
71.01244	5.3
71.53230	2.3
78.10307	1.8
81.03320	3.8
83.01273	2.4
85.02821	3.3
93.03331	3.1
94.72652	1.9
97.02820	2.7
101.02345	4.5
109.02831	4.3
113.02362	2.9
120.99548	8.2
121.02837	14.9
123.00793	1.6
125.02316	6.0
133.02890	2.1
136.01576	1.9
137.02318	8.3
139.03902	3.1
149.02338	11.6
151.00304	4.5
161.02263	2.8
161.04433	3.5
163.00267	6.1
165.01852	13.5
175.00327	2.5
176.01128	3.3
177.01831	2.1
190.99803	2.8
192.00331	2.2
193.01364	22.5
194.01639	2.2
205.01305	2.6
206.01950	3.9
221.00934	8.9
223.02428	7.2
251.02037	2.0
300.02707	3.6
301.03439	4.9
313.03467	7.0
315.05069	18.5
343.04584	100.0
344.04813	8.0
373.05649	11.3
413.16199	4.5
463.08820	72.8
464.09067	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	2.2
60.99176	19.3
61.98694	1.7
62.38728	1.4
62.86676	1.5
63.00157	1.5
67.30521	1.6
69.81289	8.6
78.95716	1.5
88.98674	100.0
108.47751	1.9
109.98342	1.7
119.04897	3.3
135.04381	1.8
153.74319	1.7
171.66161	1.7
181.62207	1.6
205.72189	1.5
224.94044	5.1
234.97125	2.0
290.51294	1.7
297.24323	2.9
298.31677	1.7
317.81778	1.7
447.37289	1.7
525.17120	7.8
525.28461	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	526.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37030	1.9
53.01177	1.8
57.09407	1.9
59.01241	7.1
60.17574	2.6
61.98705	18.0
64.19011	2.0
64.28814	2.1
65.00212	2.2
71.01249	5.9
71.08997	3.8
71.09330	2.2
71.53970	1.9
72.99179	14.8
73.02799	2.8
73.70463	2.3
74.04152	2.0
75.00744	13.1
77.87688	2.1
78.95806	2.3
79.95589	3.7
80.96394	16.0
83.04913	3.3
85.02808	3.9
93.03334	2.6
94.97993	3.4
99.00781	2.4
107.01257	4.5
109.02821	3.1
113.02313	2.2
119.04888	6.3
120.99568	2.4
121.02789	2.6
125.02350	4.8
134.97493	2.5
149.02274	2.4
151.00267	17.5
152.00967	2.3
153.01814	5.9
163.03896	4.2
164.98515	3.5
171.49529	2.1
177.01768	2.5
178.99773	5.6
215.03357	2.6
225.00647	4.0
243.02957	10.4
254.02129	2.9
255.02991	19.4
256.03549	2.6
271.02472	53.9
272.02863	6.6
285.04114	3.8
300.02731	100.0
301.03448	60.8
302.03775	2.6
353.83023	2.5
451.32800	3.0
463.08841	88.0
464.09039	10.5
465.30533	6.7
466.31015	4.3
527.11005	3.2
527.18115	26.3
545.43127	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	525.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.7
61.98711	3.2
63.66385	0.5
63.96092	0.6
69.03333	0.8
70.67497	1.0
70.67828	0.4
71.01250	7.5
72.99187	0.9
73.02815	1.2
75.00731	1.1
78.98467	3.7
79.95609	7.3
80.96390	49.4
81.03300	0.7
83.01239	0.5
85.02818	3.6
87.00745	2.6
89.02291	0.9
94.97963	12.3
95.01264	1.1
96.95870	1.3
97.02820	1.9
99.00756	1.6
101.02311	2.4
102.73615	0.4
103.42153	0.4
106.97310	0.5
106.97956	2.5
109.02827	0.8
111.00759	0.5
113.02333	2.4
120.99561	0.6
122.97449	2.3
123.04356	0.5
125.02312	2.6
127.03877	0.7
127.80447	0.5
134.97495	5.0
135.04460	0.5
136.99048	0.9
137.02338	0.8
148.99025	5.0
151.00269	0.7
152.98506	5.0
153.01828	3.9
154.02211	0.4
154.86188	0.4
161.02309	0.7
164.98531	10.9
167.03450	0.6
177.01791	0.7
181.12260	0.7
206.99602	3.2
207.10190	1.7
209.02901	0.5
213.09084	2.0
215.07120	0.6
216.11545	0.5
225.00685	15.1
225.11214	2.3
226.00998	0.8
231.10245	1.0
249.06082	2.0
257.08148	4.9
267.07193	2.4
270.50845	0.5
299.04385	3.6
331.11728	2.0
338.03339	0.5
445.14932	0.7
471.94974	0.4
489.14163	0.6
494.58820	0.4
494.66492	0.4
497.16907	1.1
507.15222	4.5
525.16437	100.0
526.16821	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	525.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.7
61.98698	1.7
69.19327	1.7
69.19749	3.0
71.01243	0.9
76.24626	0.6
85.02821	0.9
93.03333	2.1
98.19827	1.0
101.02347	1.0
108.19459	0.5
109.02837	0.7
109.80685	0.5
121.02863	2.9
122.03642	7.2
134.78114	0.5
135.04327	0.7
136.01602	1.1
145.02786	0.6
149.02338	10.7
150.03130	49.1
151.00307	0.6
151.03517	2.4
161.02373	6.1
164.04707	1.3
165.05476	60.9
166.05849	3.1
178.15480	0.6
180.04205	4.1
185.02419	1.8
187.00237	0.5
195.06561	29.3
196.06891	2.1
198.03076	0.7
199.03893	0.7
203.03502	2.7
226.02713	1.1
227.03455	7.8
228.03751	0.7
229.01338	1.0
242.02141	1.1
243.03049	2.5
253.09221	1.7
270.01654	4.8
271.02475	17.5
272.02856	1.7
285.04019	10.0
286.04492	1.0
289.18082	9.7
290.18497	0.6
299.01950	45.7
300.02301	4.3
309.03790	0.6
313.03546	9.8
314.04294	41.2
315.04694	4.1
327.04984	0.9
328.05966	1.6
329.06653	100.0
330.07001	11.8
427.64606	0.6
525.16150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43583	2.5
51.31563	2.5
57.03311	5.2
58.42416	2.7
59.00956	2.7
59.01250	43.5
61.98689	4.9
63.02250	2.4
65.00190	9.5
71.01252	19.9
72.99166	3.0
75.00741	3.4
78.95805	2.9
81.13110	2.6
83.01250	7.7
85.02827	15.4
85.79282	2.1
87.00764	3.1
89.02304	4.6
91.01755	5.0
93.03314	4.1
93.98882	2.5
95.01236	3.9
96.95889	2.6
99.00737	6.2
100.20548	2.4
101.02310	7.4
107.01248	7.4
108.02037	4.5
111.00737	2.9
113.02325	9.2
119.04876	2.7
123.04392	6.0
124.01572	3.6
125.02333	28.2
133.02803	10.3
134.03673	4.8
135.00740	3.6
135.04372	7.5
137.02290	3.7
139.03839	3.7
139.70532	2.5
145.02808	4.3
147.90245	2.6
148.01526	4.9
148.05098	3.0
149.02417	2.9
151.00266	18.2
160.01607	4.4
161.02342	14.5
163.03941	7.8
177.01843	14.8
178.02592	4.1
179.03477	4.3
187.03940	3.3
189.01758	2.5
190.02713	6.3
191.03398	8.2
191.06999	3.5
203.03358	7.7
207.02841	2.6
209.06172	2.7
209.18149	2.7
211.13356	8.3
215.03464	4.2
227.03362	4.1
227.07054	4.0
229.04930	4.4
243.02835	5.4
249.06073	5.8
253.05006	24.3
253.07262	5.7
267.07144	4.2
269.04565	4.1
280.03705	4.1
281.04541	45.3
282.04810	7.2
285.03970	4.8
291.06787	3.6
311.34360	2.7
327.21695	18.9
336.06467	2.9
347.05579	5.5
361.07141	11.1
362.08044	4.1
363.04858	4.2
371.05475	3.5
377.10269	24.8
378.07263	3.5
379.08102	5.7
388.05762	10.1
389.06491	3.6
393.09766	6.4
394.10291	8.4
403.08231	22.6
404.08975	100.0
405.09613	27.6
409.12885	28.4
410.13522	4.3
419.11310	57.4
420.11533	8.4
421.08749	4.0
427.09000	3.3
428.09753	12.8
437.12347	21.4
438.12915	3.1
439.07471	5.1
448.07840	6.2
460.48703	2.8
465.24625	5.4
525.15796	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	525.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.2
60.61928	0.5
61.98685	2.2
65.04160	0.4
66.27872	0.5
70.86485	0.5
70.86832	0.7
78.95782	1.0
85.02798	0.9
87.12142	0.5
93.03320	1.7
101.02318	0.7
110.75917	0.4
119.04857	0.7
121.02856	3.3
122.03625	6.6
123.04382	0.7
133.02826	1.6
136.01578	1.1
145.02856	0.8
149.01210	0.9
149.02348	11.2
150.03120	51.3
151.00296	0.9
151.03513	2.0
160.01544	0.5
161.02332	5.9
164.04669	1.8
165.05470	62.7
166.05814	3.7
180.04202	3.9
183.04373	0.5
185.02335	1.8
187.00230	0.8
189.07188	0.6
195.06546	33.3
196.06908	2.0
199.03914	0.8
203.03484	2.9
215.03444	0.7
226.02669	1.9
227.03433	8.0
228.03754	1.4
229.01370	1.0
242.02130	0.8
243.02954	1.5
256.03601	0.6
270.01743	3.2
270.04239	0.5
271.02435	15.3
272.02844	1.8
281.04517	0.6
283.05933	0.7
284.03342	0.8
285.04034	8.6
286.04227	0.8
297.03833	0.5
299.01941	48.8
300.02390	4.7
309.04059	0.8
311.05591	1.6
313.03491	8.9
313.06860	0.5
314.04288	41.0
315.04684	5.1
327.05130	0.7
328.05823	2.1
329.06635	100.0
330.06967	12.8
384.97205	0.5
389.20255	0.5
412.61026	0.6
433.09406	0.6
477.11871	6.5
478.12204	1.2
509.02942	0.5
525.14368	3.3
526.16016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01825	0.8
57.03325	1.1
59.01250	2.9
61.98689	1.0
62.43835	0.8
71.01257	3.4
72.99184	0.9
74.77730	0.8
77.81517	0.8
83.01260	1.2
85.02818	5.8
87.00779	1.1
95.01258	2.0
99.00774	2.6
101.02361	1.1
106.60191	0.9
107.01238	2.3
109.02811	1.8
111.00695	1.0
113.02309	2.8
121.36362	0.8
123.00723	1.3
125.02332	2.5
133.02827	6.4
135.04436	1.6
139.00282	2.7
149.02325	2.3
151.00298	6.4
153.01889	1.6
161.02180	0.8
166.99835	1.9
169.01341	1.7
175.02499	1.1
175.03902	1.5
177.01901	1.6
178.99767	2.9
193.01396	1.4
194.99275	2.1
199.03960	2.6
206.99359	1.3
209.00800	2.2
217.05055	1.2
241.04927	1.3
285.04034	100.0
286.04419	10.4
297.04330	1.1
300.02286	1.0
301.03555	2.1
330.04907	1.1
357.05780	1.8
439.69495	1.1
461.07272	27.6
462.07596	3.7
477.06537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.7
59.01243	1.8
61.98416	0.7
61.98705	7.9
65.00179	0.5
65.90993	0.4
68.27097	0.4
69.53490	2.5
71.01240	1.4
71.89734	0.4
72.09846	0.4
72.99173	0.4
73.02804	0.5
79.01778	1.0
82.54840	0.4
83.01250	1.7
85.02837	1.0
87.00727	0.5
89.02304	0.6
93.03333	0.7
94.10429	0.5
98.20542	0.9
101.02311	0.7
106.33442	0.4
109.02836	2.6
113.02354	0.5
119.04881	0.7
124.57759	0.4
125.02321	5.1
125.61031	0.4
132.02095	0.5
133.02841	8.4
134.03563	0.6
135.04437	2.3
135.91025	0.4
137.02362	0.7
139.03874	0.5
147.04482	0.6
149.02351	0.5
151.00253	2.2
151.03902	1.0
153.01837	11.3
153.05464	1.6
161.02350	0.9
161.06039	1.0
163.03902	1.4
165.01910	0.6
175.03876	2.4
177.01807	2.2
177.05467	2.3
178.99760	0.7
179.03404	1.6
181.17285	0.5
193.04886	0.5
197.04428	0.4
201.01834	0.9
201.09146	1.4
205.04999	1.0
207.02853	1.3
211.04086	0.6
212.04729	0.5
213.05531	2.1
225.05418	0.5
226.06265	0.5
229.04880	0.6
231.06729	0.6
239.07193	0.6
241.05003	0.7
245.08188	0.7
245.11789	1.2
254.05876	0.6
255.06555	0.6
257.04443	1.0
267.06671	0.9
269.04672	0.6
269.08072	1.0
270.05453	0.5
283.06128	1.3
285.04065	2.1
295.06100	0.6
297.03983	1.1
298.04807	10.6
298.08038	0.8
299.05594	7.4
300.05991	0.7
304.16840	0.7
311.05609	15.6
312.06311	6.3
313.07162	16.1
314.07474	1.4
319.19061	1.0
323.05630	1.2
325.07150	1.9
339.04987	0.8
341.06641	100.0
342.06989	11.4
353.06720	3.2
355.08212	0.7
363.18143	6.0
371.07730	22.5
372.08035	2.0
383.07626	2.4
407.07745	0.7
461.10901	51.2
462.11169	9.4
523.33978	0.6
524.14630	0.7
524.34253	0.5
525.15729	1.9
525.23584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14303	0.4
55.01763	2.4
56.69413	0.3
57.03320	3.4
58.00460	1.0
58.94426	0.4
59.01250	22.8
61.98711	0.8
68.99685	0.3
69.03335	1.0
69.18114	3.2
70.49153	0.4
71.01253	31.4
72.01600	0.6
72.99185	1.8
73.02818	7.6
75.00735	1.0
78.95786	0.6
83.01259	5.1
85.02822	17.2
86.03198	0.4
87.00741	2.1
89.02317	10.7
91.93206	0.4
95.01271	3.3
95.18562	0.4
97.02824	0.6
99.00745	3.0
101.02321	22.6
101.76089	0.4
102.02650	1.0
104.89107	0.4
109.02805	2.0
111.00760	1.6
112.80035	0.4
113.02323	11.0
117.03362	0.6
119.03387	4.6
119.04902	0.6
121.02828	0.7
125.02336	1.0
129.01805	1.1
133.02849	1.2
134.20151	0.4
135.04408	1.7
137.02348	0.6
137.09610	0.9
143.03395	1.0
145.02827	1.2
145.43428	0.4
147.02818	0.4
149.02403	0.6
151.00301	0.4
155.10634	1.9
159.02916	1.9
159.04245	0.4
161.02365	3.6
161.04427	3.7
163.03813	0.6
175.03909	0.7
179.03391	2.1
179.05417	0.6
191.01852	0.5
196.49672	0.4
197.05960	0.5
201.14854	2.7
205.04996	0.6
209.02869	0.5
213.05360	0.6
239.19987	1.1
241.04956	1.9
242.05750	0.8
243.06561	0.9
246.09135	0.4
254.05717	0.4
255.19762	0.5
281.02048	0.4
285.04126	0.9
285.24359	1.0
287.22461	0.5
301.23883	2.2
327.21585	0.4
361.29575	24.4
362.30026	3.3
369.23486	0.5
375.08670	0.9
399.47235	0.5
485.12323	5.8
486.12692	1.6
487.12912	0.7
504.00516	0.4
523.34863	100.0
524.13861	0.6
524.35168	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	523.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33424	0.4
55.01758	0.5
59.00380	0.4
59.01241	4.2
61.98688	1.2
69.03303	0.6
69.17242	0.4
70.20602	0.4
71.01252	7.7
72.42666	0.4
72.99173	0.7
72.99553	0.4
73.02821	1.7
75.00753	2.1
78.31821	0.4
78.98463	4.8
79.95599	8.5
80.96389	59.6
81.03330	0.8
83.01257	0.7
85.02833	4.0
87.00754	2.9
89.02298	1.0
94.97961	13.1
94.98571	0.7
95.01244	0.7
96.95863	1.0
97.02824	1.6
99.00765	0.5
101.02328	3.1
106.97965	2.6
110.35032	0.4
113.02320	1.0
122.97450	2.6
125.02353	3.0
126.02736	0.4
127.03835	0.7
127.35432	0.4
134.03673	0.6
134.97469	4.3
136.99052	1.0
145.02979	0.4
146.97469	0.4
148.99031	4.9
152.98553	4.8
159.18701	0.4
164.98552	10.8
166.97813	0.4
167.00078	0.6
169.32648	0.4
175.03897	0.5
203.06969	0.5
206.99608	2.3
223.13329	1.1
225.00690	14.5
246.08878	0.8
285.04022	1.6
289.16522	0.5
299.04489	2.3
394.01855	0.4
523.18530	100.0
523.70404	0.5
524.18890	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	523.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46328	0.3
59.01244	1.3
61.98697	1.6
71.19966	0.6
73.74730	0.4
90.65832	0.3
93.03340	1.0
107.01244	0.4
117.03352	1.3
119.04910	100.0
120.05235	4.7
121.02831	1.6
123.00762	1.5
125.02321	0.4
132.02065	0.5
137.02301	0.4
138.03107	1.2
139.00301	0.6
145.02835	3.3
146.03183	0.6
149.02338	9.0
149.03558	0.4
150.02791	0.7
151.00278	4.7
153.01810	0.7
153.05466	0.9
160.01529	0.4
161.02338	3.6
162.02928	0.4
163.03911	94.2
164.04643	11.4
165.04985	0.8
166.02625	5.9
175.00301	1.0
175.03926	0.7
177.01849	1.2
178.02533	0.5
179.07034	9.2
180.07434	0.8
181.04977	7.6
183.04378	0.5
185.02324	1.1
187.00407	0.5
190.02673	3.3
192.04309	0.5
193.04892	0.4
199.03854	0.7
202.02673	0.6
203.03448	1.3
205.04976	4.2
214.02670	0.4
215.03378	0.8
222.49805	0.4
226.02640	1.2
227.03415	3.1
228.03877	0.5
239.03383	0.5
242.02171	0.9
243.02982	1.5
270.01822	1.8
270.04886	0.3
271.02441	5.1
272.03189	3.4
273.03412	0.4
274.01273	0.4
285.04037	3.6
286.04276	0.5
298.04840	0.8
299.01965	13.1
299.05365	0.8
300.02698	18.8
301.03323	2.8
301.07227	1.0
311.05838	0.5
313.03592	13.6
313.07156	2.4
314.04263	13.6
315.05054	12.5
316.05475	1.2
316.09235	0.5
317.06696	0.5
329.06766	1.7
331.11862	1.1
344.08994	0.9
345.09653	0.5
347.11212	0.7
359.11316	13.0
360.11792	1.2
377.12296	2.3
523.12714	3.9
524.12677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77617	0.9
55.01746	3.2
57.03315	4.5
58.00449	3.4
59.01249	59.5
61.98700	1.4
70.08964	1.1
71.01253	52.8
71.04910	1.4
71.94545	1.2
72.01546	1.3
72.99178	4.9
73.02817	10.3
79.55177	1.2
80.36349	1.0
83.01244	5.4
85.02817	20.2
87.00726	4.2
89.02314	34.9
95.01255	5.5
99.00748	4.1
100.35027	1.1
101.02320	39.8
102.02599	1.4
111.00751	1.4
113.02316	19.8
114.01847	1.1
114.02647	1.6
119.03383	16.2
119.04877	1.7
121.10129	1.1
122.87718	1.1
125.02309	3.0
131.03392	1.8
135.04460	1.6
137.02307	1.9
143.03398	3.8
154.13055	1.0
159.02901	2.0
161.04491	7.7
163.03944	1.3
169.12218	1.1
171.13803	1.4
179.03450	1.5
179.05521	6.0
201.14876	8.8
231.73598	1.2
236.35771	1.1
255.03006	1.4
273.03058	1.1
301.02832	1.4
305.06613	2.4
316.05371	1.1
359.28000	30.2
360.28442	3.7
461.31281	1.3
485.12173	1.6
521.12439	2.5
521.33295	100.0
522.33636	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	523.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.4
59.04217	1.5
61.98699	12.2
97.02759	1.5
105.65528	1.4
107.01269	1.6
117.03350	3.7
119.04922	100.0
120.05254	4.7
121.02804	2.3
123.00774	1.8
125.86023	1.3
132.17920	1.6
134.03676	2.2
135.04436	2.6
137.02289	1.6
138.03114	2.3
145.02890	4.0
149.02348	7.5
151.00276	10.3
160.01573	3.1
161.02382	15.1
163.03929	89.1
164.04681	9.1
165.01878	1.4
166.02583	11.2
174.03128	2.1
175.03966	2.4
177.01878	2.1
177.05479	2.1
179.07059	6.8
181.05020	14.3
185.02376	3.7
190.02715	3.6
192.56889	1.6
192.97633	1.6
193.05040	3.5
198.03041	1.8
199.03981	2.4
202.02609	2.3
203.03424	7.2
203.17508	1.4
205.04982	3.4
214.02730	2.5
215.03447	3.1
215.07080	3.0
215.88618	1.5
217.08722	2.1
221.04408	2.2
226.02621	3.9
227.03421	17.4
228.77849	1.6
242.02165	2.3
243.02956	5.6
245.08372	1.7
247.09789	2.3
250.18849	2.1
270.01654	4.4
271.02475	18.4
272.03262	13.6
275.16522	2.3
275.70627	1.6
285.04062	14.6
293.17642	4.3
294.17993	2.5
299.01971	53.8
299.05368	2.8
300.02731	82.5
301.03336	16.5
302.13272	1.5
313.03558	64.5
313.06900	2.2
314.04272	57.9
315.05069	53.1
316.05429	5.4
325.20197	5.9
326.20615	5.5
329.06705	1.8
359.11462	9.4
451.14020	4.3
505.11847	2.6
505.18857	5.1
506.19330	1.7
523.12408	25.1
523.19727	31.8
524.12646	5.8
524.20105	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.5
61.98694	0.5
71.01250	1.0
71.34239	0.5
71.45300	0.8
77.03827	1.0
77.52422	0.5
78.95766	1.3
89.03880	0.6
91.03879	1.0
95.04887	2.0
96.95921	0.7
105.03337	11.1
121.02852	0.9
123.04436	0.6
132.02094	4.6
133.02850	40.2
134.03661	9.5
135.04472	4.1
137.02347	4.3
139.03918	1.3
147.04393	1.2
148.05214	3.7
149.06003	1.4
152.99445	1.2
158.07271	1.0
160.01567	28.0
160.05231	0.8
161.02361	20.7
161.03711	1.4
161.05997	3.5
162.02689	1.1
175.03926	69.6
176.04237	3.5
177.01904	2.9
178.02615	3.4
179.03410	2.6
193.05002	4.4
194.02142	0.9
194.05104	0.6
204.11522	0.9
204.64395	0.6
233.08153	1.3
233.85330	0.7
247.09734	2.2
261.11261	1.4
271.22818	7.2
272.23181	0.7
275.12881	1.4
279.23083	0.6
289.14624	1.1
303.16019	1.2
317.17593	1.9
327.19595	1.1
331.19122	2.3
345.20667	3.6
347.25903	2.2
359.22211	1.3
361.27390	3.5
373.23660	0.7
415.24857	9.1
416.25192	1.8
429.26410	22.1
430.26764	4.2
433.25772	3.6
447.27509	39.8
448.27789	6.6
506.28815	3.2
521.31189	100.0
522.31506	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	521.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53373	0.4
59.01259	2.4
70.76375	0.4
71.01259	0.6
72.03164	0.4
77.03844	0.8
77.40079	0.4
81.17007	0.4
81.42079	0.5
89.02316	0.9
89.03844	0.7
91.03888	0.8
95.04907	2.1
105.03343	11.1
105.04010	0.9
106.03682	0.5
106.68546	0.4
107.04909	0.4
117.03296	0.5
119.04887	0.4
121.02846	1.1
123.04404	1.1
132.02063	4.5
133.02849	43.2
134.03673	10.1
135.04436	4.2
137.02347	4.3
139.03909	1.4
147.04408	1.7
148.05186	4.1
149.02283	0.7
149.05974	1.4
150.03093	0.7
158.07303	0.8
160.01567	28.8
161.02348	23.7
161.05965	3.8
162.02841	1.3
171.08089	0.7
175.03922	70.2
176.04225	4.9
177.01860	2.8
178.02628	3.3
179.03410	2.7
193.05000	6.6
194.02179	0.5
204.11589	0.7
205.04936	0.9
233.08096	1.1
243.10236	0.6
247.09750	1.7
258.87933	0.5
260.17856	0.6
261.11337	2.1
271.13400	0.7
271.22763	9.8
271.25452	1.0
275.12952	1.0
289.14508	2.4
303.16055	1.9
317.17456	2.4
327.19556	1.2
331.19107	1.3
345.20715	4.4
346.25131	0.7
347.25696	2.0
359.22290	1.1
361.27319	3.7
362.27579	0.7
373.23697	0.7
387.25525	0.8
407.18170	0.5
415.24878	10.0
416.25211	1.1
429.26413	25.5
430.26846	4.1
433.25885	2.4
447.27499	45.4
448.27866	7.4
499.99237	0.6
506.28967	3.0
507.29410	1.1
511.81769	0.5
521.31171	100.0
522.31506	21.7
534.26788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.2
61.98697	1.9
71.52962	1.2
73.14256	0.7
78.95741	1.3
85.02834	1.1
87.94177	0.7
107.01266	1.2
118.22890	0.7
119.04934	1.8
133.02840	5.9
145.02800	0.8
149.73929	0.6
151.00362	0.8
160.01558	4.1
161.02409	5.3
163.03897	1.8
165.05432	0.9
174.03168	2.0
177.01822	2.1
183.04466	1.2
185.02357	1.8
186.03084	0.8
187.00334	1.1
192.04193	21.5
193.04573	1.4
198.03192	5.7
199.03958	0.7
200.01109	1.4
201.01816	2.0
202.02727	4.5
203.03435	2.0
207.06551	13.8
208.06837	0.7
213.05496	4.2
214.02644	7.4
215.03259	1.2
226.02649	9.5
227.03406	5.7
228.03961	0.7
229.01483	1.1
242.02145	8.8
243.02861	2.3
257.04550	3.2
260.74692	0.7
261.04083	1.5
267.02942	0.8
270.01678	20.4
270.04620	1.0
271.02353	7.8
272.03113	0.9
274.01331	3.3
276.31586	0.6
285.04025	31.5
286.04349	3.4
299.01944	16.0
300.02640	5.2
301.03427	1.5
312.02692	0.7
313.03525	100.0
314.04123	23.9
315.04742	3.1
350.62817	0.7
353.46240	0.8
380.76978	0.8
383.07730	2.7
429.25226	0.7
442.90967	0.6
521.14087	2.3
521.33832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.1
59.01248	32.6
67.90865	3.1
69.47009	10.3
69.47418	10.3
71.01243	19.8
72.99213	3.6
73.02822	3.7
75.00744	6.4
75.86195	3.4
85.02819	22.7
85.36709	3.3
87.00818	4.7
89.02316	8.0
93.03362	5.9
99.00776	3.8
101.02299	7.9
107.01272	5.2
109.02831	6.7
109.99998	8.5
111.00805	3.9
113.02345	14.7
118.07069	3.2
120.99541	8.1
121.02830	4.5
123.00761	6.6
125.02363	8.3
127.95454	3.5
132.27931	3.6
135.04462	3.8
137.02318	5.0
137.99500	3.6
139.00275	10.4
139.03922	6.4
149.02336	3.8
150.03102	4.3
151.00310	15.1
151.03925	12.4
152.01085	4.8
159.04468	3.2
165.01859	15.1
165.99010	11.6
166.99748	7.6
173.04477	5.2
177.01854	4.7
178.99759	15.7
187.03896	4.8
221.54446	3.4
243.02870	4.3
255.02924	4.6
259.02423	5.6
271.02454	32.6
287.02002	27.6
287.39929	4.0
288.02512	8.3
299.01904	23.2
300.02411	5.5
315.01495	26.6
316.02213	81.4
317.02936	46.3
318.03656	4.8
330.03824	23.2
331.04233	4.6
345.06174	53.8
453.28021	3.6
477.14615	6.2
521.09259	100.0
522.09448	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17828	0.4
55.01745	0.5
57.03310	1.3
59.01250	7.3
61.98713	0.8
64.00357	0.5
65.00187	1.5
67.01743	0.6
69.03311	1.0
70.93146	1.1
71.01254	7.3
72.99167	1.3
73.02829	1.3
75.00737	1.4
83.01265	1.1
85.02821	13.1
87.00753	1.5
89.02319	1.5
93.03290	0.6
95.01263	3.5
99.00771	4.5
101.02307	1.8
103.00225	1.1
107.01273	1.0
109.02828	1.2
111.00751	1.0
113.02330	15.7
114.02659	0.6
115.00220	0.7
117.01812	0.7
121.02836	1.2
125.02338	1.3
129.01820	0.8
133.01407	0.6
133.02809	0.7
135.00832	0.5
135.04408	1.4
136.98729	0.6
137.02301	0.8
139.00291	0.6
145.02898	0.7
149.02332	1.0
151.00272	3.2
153.01797	1.6
165.01843	2.3
165.99100	0.6
173.02351	0.7
175.02422	3.8
177.01903	1.2
178.99777	3.5
187.03920	1.8
196.48743	0.5
199.04033	0.7
201.01805	1.1
202.02710	0.9
203.03400	1.3
215.03497	2.6
226.02736	1.0
227.03273	0.8
229.01572	0.6
231.02931	1.2
241.01305	1.0
242.02177	0.8
243.02888	2.5
245.00963	0.5
255.02837	0.8
259.02484	8.5
267.06702	0.5
269.00809	0.8
270.01678	2.1
271.02417	4.4
272.02985	0.7
281.08279	0.7
284.03082	0.9
285.04010	4.4
286.01462	0.6
286.04474	0.8
287.01968	13.7
288.02350	1.0
289.03531	0.6
299.01987	4.3
299.09357	0.5
300.02554	0.8
301.03482	1.0
311.09280	0.8
312.03085	0.6
313.03534	9.9
314.04263	5.6
314.11673	0.9
315.01483	33.8
315.04810	1.7
316.01880	3.5
316.05139	0.8
317.03134	0.6
326.11606	0.9
327.12186	0.8
329.02954	1.1
329.06491	1.2
329.13940	1.0
330.03787	31.4
331.04175	3.7
340.84595	0.5
341.13834	1.0
345.06128	100.0
346.06470	10.3
359.03943	0.8
387.07260	0.8
473.14441	0.9
488.16675	0.8
489.06699	1.4
491.19138	8.8
503.19223	9.4
503.97467	0.6
505.09326	0.6
521.09265	4.0
521.26801	1.0
522.09717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48854	3.5
58.35547	3.6
59.01258	7.9
65.99718	4.0
69.03324	8.9
70.35690	4.0
75.35252	3.7
81.03347	8.4
83.01244	5.5
89.02294	4.0
93.03319	8.7
95.01265	8.7
97.02852	10.6
98.19661	7.6
99.00760	9.5
107.01281	5.5
109.02834	20.9
111.00795	8.4
121.02843	14.2
123.00797	5.0
123.04440	7.7
124.01468	4.5
124.67812	3.4
125.02340	25.3
131.41710	4.2
133.02832	21.6
135.00761	4.7
135.04398	10.6
137.02324	24.5
139.00294	10.7
139.03828	5.3
141.01822	17.7
147.04350	6.6
149.02359	16.9
151.00267	7.9
151.03900	11.2
153.01830	15.0
160.03915	4.8
161.02324	14.1
163.00287	10.0
163.03899	8.1
165.01843	21.1
166.99823	6.8
167.03406	23.1
172.03940	6.8
173.02235	4.0
174.62341	3.6
175.03909	4.8
176.03581	4.7
177.01825	17.5
178.99748	6.2
179.03427	17.8
181.01416	10.6
182.02170	3.8
183.02913	13.3
187.03964	4.0
189.01875	7.3
190.04979	4.1
191.03496	7.8
193.01385	26.6
195.02872	8.3
197.04324	4.5
199.04120	4.6
203.03511	4.6
205.01369	11.5
206.02284	6.2
206.04515	11.0
207.02917	7.4
209.00853	15.3
215.03384	4.1
216.02966	8.5
219.02911	10.9
221.00873	9.2
223.02426	6.2
232.02422	11.3
241.05110	4.0
251.01837	14.0
253.05080	5.2
255.02864	3.8
257.04572	4.4
258.04144	5.1
269.04446	7.6
271.02524	6.0
272.05603	5.5
284.03232	6.4
285.03940	11.8
287.08392	4.3
297.04059	17.7
298.04565	4.7
299.02084	6.9
299.05609	8.7
301.03671	10.2
304.74960	4.0
311.05493	7.3
313.03439	12.6
314.04218	13.9
315.04984	8.5
325.03323	6.3
326.08664	14.1
327.05014	36.8
329.02884	13.2
335.58496	4.2
338.06769	8.8
341.05295	8.0
342.03784	11.4
342.07993	6.7
343.04605	15.8
343.64194	3.9
345.06708	3.8
345.35959	3.7
352.04578	6.6
354.06223	4.6
355.04764	9.9
357.05948	8.4
359.04187	8.9
364.04779	4.9
371.05988	4.8
372.07501	4.2
373.05661	9.5
382.05634	46.1
383.06232	6.5
400.06693	100.0
401.06714	9.2
412.06451	7.0
430.07434	5.7
447.09113	25.1
462.07910	11.3
463.08545	8.9
502.09842	42.3
520.10950	91.8
521.11310	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03316	1.0
58.54077	0.4
59.01247	19.5
61.98697	0.9
67.01706	0.4
69.03321	0.9
69.81616	1.1
71.01247	11.5
71.43468	0.3
72.99166	1.4
73.02812	3.0
75.00732	0.4
83.01246	1.6
83.04887	0.4
85.02820	4.3
87.00739	2.7
89.02301	1.6
95.01244	0.6
96.95853	0.5
97.02787	0.4
98.19832	0.5
99.00736	0.8
101.02316	4.1
111.00791	0.7
112.01557	0.5
113.02335	2.2
119.03369	0.7
119.04898	3.2
124.01536	0.7
125.02321	1.7
134.47325	0.4
145.02898	0.6
153.01764	0.4
162.03117	2.0
163.03897	2.2
177.05511	2.3
195.24089	0.4
221.08174	0.6
245.08189	3.3
263.09253	2.5
266.14740	0.5
280.95850	0.4
287.09265	0.9
293.10330	0.9
297.24310	3.5
298.24567	0.6
313.23697	1.3
315.25375	25.4
316.25809	3.2
327.25287	0.7
329.27060	0.9
357.13873	0.5
357.26392	1.2
365.12256	0.4
398.01511	0.4
443.09720	0.5
459.23407	0.9
459.29645	12.2
460.29993	1.6
477.30649	32.2
478.31058	5.3
519.13312	2.3
519.31708	100.0
520.32050	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03323	2.7
58.00468	2.6
59.01250	100.0
60.01582	1.6
60.19277	0.5
61.98707	2.0
69.03325	0.6
70.44674	1.7
71.01251	44.3
72.01591	0.9
72.99153	3.7
73.02817	10.8
75.00754	0.9
81.03335	0.8
83.01256	5.9
85.02824	14.8
85.67153	0.6
86.03148	0.7
86.20668	0.6
87.00749	3.4
89.02313	31.0
95.01273	3.9
97.02850	0.9
97.06464	0.9
99.00778	2.9
101.02321	33.8
102.02668	1.1
107.01347	0.6
113.02327	20.0
113.68213	0.5
117.97195	1.2
119.03387	14.5
121.10127	0.9
125.02335	2.0
125.09625	0.8
127.11213	1.1
128.31265	0.6
131.03374	1.8
135.04440	5.3
136.04781	1.6
137.09546	0.8
143.03378	4.3
145.02798	0.7
146.83835	0.6
149.04442	1.4
151.03876	0.6
159.02911	1.6
161.02420	1.0
161.04488	7.5
165.01700	0.6
167.10713	0.7
171.13831	1.5
179.05528	6.0
184.24193	0.6
199.13239	0.7
200.14085	0.9
229.18073	1.8
231.79022	0.6
247.07465	0.6
261.07635	1.2
262.07996	1.3
309.24219	0.7
321.24460	1.7
327.25430	0.7
339.25409	1.6
357.26450	22.6
358.26871	3.0
397.13046	1.1
398.13452	1.2
399.13626	4.6
399.23953	0.9
429.14563	1.7
519.31763	61.3
520.32043	11.4
533.25824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96603	0.6
51.60981	0.6
57.03347	0.8
59.01249	100.0
60.01597	1.5
65.00182	0.8
71.01250	5.6
71.53615	0.7
72.99184	0.6
73.02473	0.6
73.02819	3.0
75.00730	1.1
83.01273	1.5
85.02817	4.6
87.00749	0.9
89.02335	2.6
93.03320	0.8
95.01264	1.8
101.02312	4.1
107.01253	0.7
107.25322	0.5
108.03603	0.5
109.02837	0.7
111.00784	1.6
113.02320	3.2
118.98003	0.6
119.03381	1.2
119.04921	0.9
123.00759	1.3
125.02367	1.6
133.02853	1.1
135.00833	0.7
136.98778	0.6
139.00302	1.2
149.02335	1.0
150.99266	0.6
151.00229	3.1
161.02452	0.7
161.04532	1.8
163.00288	0.8
165.01845	0.7
176.00992	0.6
177.01828	1.0
178.99800	1.7
187.03954	1.1
189.01865	0.8
191.01868	1.1
193.01295	1.3
199.03973	0.8
202.02631	1.4
203.03459	0.7
209.03001	0.7
214.02615	1.0
215.03476	0.8
230.02238	0.7
231.02969	0.7
241.01579	0.8
242.02206	1.0
243.02979	1.3
245.00909	0.9
257.00821	1.0
258.01706	1.5
259.02652	0.9
269.01193	0.9
271.02518	1.8
285.04089	2.7
286.01337	1.8
287.01947	3.1
297.00430	2.0
299.01785	1.2
301.03632	0.9
313.03891	1.1
313.07318	2.4
314.00800	1.6
315.01416	7.3
316.01862	1.0
317.03098	0.9
343.08243	4.3
344.08582	0.8
357.02603	0.9
399.23941	4.0
400.24210	0.7
417.24893	5.7
447.09442	0.7
459.25821	6.9
460.26520	1.4
519.07367	5.2
520.08508	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	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	1.5
61.98713	0.8
68.26665	0.5
69.50990	0.9
69.51390	2.6
71.01251	3.0
73.02824	1.6
81.07797	0.4
83.01263	0.6
85.02805	2.1
87.04424	0.7
89.02320	0.7
95.01242	0.6
98.28277	0.6
99.00775	0.7
101.02343	1.8
113.02328	4.3
118.97493	0.4
125.02335	0.6
129.01813	0.4
161.04498	1.9
180.30969	0.5
193.05040	1.5
231.25972	0.4
255.19647	0.7
285.04214	0.6
357.33685	0.5
399.23843	13.8
400.23953	2.3
417.24915	3.3
459.25836	3.1
460.26193	0.6
483.10342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
59.01250	25.4
61.98702	6.1
69.03323	2.8
69.65812	4.6
71.01241	7.8
83.01285	1.2
85.02808	3.8
89.02299	5.2
92.48021	1.1
98.20563	1.3
101.02306	5.3
109.02857	1.1
113.02322	2.5
116.92729	4.4
125.02316	1.8
137.02328	2.1
154.11223	1.0
167.10721	2.3
179.10670	1.5
179.14316	5.5
195.13867	8.6
205.12247	8.0
223.13339	100.0
224.13658	7.2
253.09274	18.1
285.04315	1.8
323.58188	1.1
396.01007	1.2
417.39786	1.2
459.22556	10.7
459.28949	2.4
460.22772	1.5
507.79315	1.0
519.31757	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.9
59.01253	100.0
62.65073	2.6
69.65473	5.2
69.65881	12.7
71.01253	46.7
73.02816	46.9
74.43509	2.7
75.00760	6.4
81.03326	3.2
83.01267	14.0
85.02826	18.2
87.00742	6.2
89.02306	12.8
90.16629	2.8
101.02323	45.7
108.02070	3.4
113.02334	24.4
119.03378	4.3
119.04914	12.5
123.04420	4.6
125.02309	7.0
130.64096	2.8
137.02321	4.3
143.03438	4.1
149.04460	6.0
153.01869	3.6
161.04448	11.4
162.32217	3.1
163.03972	4.8
167.03395	4.8
177.01897	5.4
203.68127	2.9
221.06726	3.6
285.04016	5.1
313.07452	4.2
327.12387	3.0
518.69299	3.7
519.11334	10.0
519.18555	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	519.1875
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.44691	0.5
57.03310	1.0
59.01250	10.0
59.87353	0.6
61.98717	0.7
71.01247	6.4
73.02821	3.3
75.00740	0.7
79.55172	0.6
83.01260	1.4
85.02829	4.8
87.00761	1.3
89.02328	1.7
93.03350	1.5
95.01263	0.8
97.02838	0.6
101.02319	3.9
108.02065	1.8
109.02831	1.5
113.02350	3.5
116.19199	0.5
118.67312	0.5
118.97997	0.8
119.03393	0.8
119.04930	1.0
121.02841	6.3
122.03660	2.7
123.00736	0.9
123.04400	1.0
124.01524	0.5
125.02357	1.3
129.01820	0.7
134.03625	1.2
135.04411	1.2
136.01563	80.1
137.02240	3.9
149.05936	0.8
151.03915	99.9
151.82697	0.6
152.04277	4.9
154.02682	1.1
159.03122	0.7
159.04424	0.9
160.05141	1.0
161.02370	2.1
161.04463	2.3
161.05865	0.8
162.03130	1.3
163.03896	1.5
167.03424	0.6
175.03873	1.5
175.07599	1.7
177.05566	1.2
179.03429	1.1
189.05502	1.3
191.01906	0.6
191.05574	1.0
201.05424	0.5
203.07106	0.8
248.02278	0.5
267.07169	1.6
288.72299	0.6
311.13184	0.8
342.11014	4.8
343.04654	1.0
344.05231	0.9
357.13425	100.0
358.13797	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05151	2.5
57.00592	2.5
57.00918	2.3
59.01254	78.3
61.98699	5.1
63.79386	2.2
69.03329	11.5
70.35752	2.5
71.01251	30.1
71.53612	2.3
73.02823	28.7
81.03346	2.8
83.01256	8.2
85.02828	15.9
87.00735	4.6
89.02325	11.3
93.03324	2.9
95.01310	3.1
97.02850	2.7
99.00764	5.0
101.02326	29.4
113.02327	18.1
119.03363	5.6
121.02868	5.1
125.02311	4.0
131.03456	3.5
135.04404	3.4
136.01558	68.0
137.02359	5.4
143.03432	2.6
149.04420	4.2
151.00235	2.6
151.02667	4.8
151.03909	100.0
152.04228	5.1
161.02338	3.4
161.04440	8.1
165.01819	4.8
175.39249	2.5
185.00826	9.2
191.01962	2.6
250.91084	2.7
268.23059	2.7
300.02740	3.2
312.02979	3.5
312.06516	7.1
313.06836	3.6
315.05060	3.8
342.11020	4.1
343.04510	7.4
344.05219	6.1
347.24139	2.9
357.13425	97.0
358.13770	11.8
415.23340	4.0
519.11273	7.7
520.27655	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	519.1147
Annotation	5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
51.63255	0.9
57.03313	3.3
58.00455	0.9
59.01250	14.4
67.01785	1.3
71.00852	1.0
71.01252	19.9
71.01674	2.0
72.99176	2.4
73.02821	2.7
75.00746	7.9
81.40759	1.0
83.01266	2.6
85.02825	38.8
87.00769	5.2
87.01497	1.0
88.86151	0.9
89.02312	4.9
95.01262	10.3
98.14040	1.0
99.00756	15.1
101.02349	1.7
103.00265	6.4
111.00741	0.9
113.02332	59.9
115.00242	2.8
117.01836	4.4
129.01834	3.2
136.01573	1.5
137.02312	1.1
151.00285	1.4
151.03935	4.5
153.01915	1.5
157.01317	2.2
161.02322	1.7
163.03926	1.4
167.03299	1.1
175.02409	14.0
181.01199	1.7
226.06287	2.0
227.06841	1.2
234.35068	1.0
241.04834	2.7
241.08719	4.6
242.02159	1.6
269.04147	1.2
270.01642	3.7
283.02606	1.2
284.03183	3.3
285.04037	42.5
286.04410	4.1
297.03867	1.6
298.04779	1.6
299.05539	3.0
300.06406	2.6
313.03525	49.8
314.03864	4.6
327.05136	2.4
328.05859	44.3
329.06311	5.3
343.08212	100.0
344.08524	10.3
357.09570	1.9
357.13428	3.1
445.70685	1.0
447.09283	4.9
475.08578	1.9
519.11719	5.1
519.24878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.7
61.31792	0.5
61.98703	7.1
65.00199	1.0
69.03323	0.6
71.01240	2.7
71.53000	0.5
72.99225	0.7
73.02807	0.6
83.01234	0.7
85.02826	1.7
89.02291	0.7
101.02314	1.5
101.06994	0.6
107.01260	1.5
109.02798	0.5
110.77125	0.5
113.02325	0.8
113.83273	0.5
119.01303	0.5
125.02378	1.1
133.02850	0.7
137.02333	0.6
139.24278	0.5
143.04794	0.8
145.02841	1.7
148.01628	0.6
151.00287	7.9
152.00809	0.5
155.04926	0.8
159.04433	1.3
161.02293	1.1
163.00208	0.8
163.03880	0.6
165.01822	0.6
169.01347	0.5
171.04449	0.8
183.04417	3.6
185.02359	1.0
186.63966	0.5
187.03917	1.2
191.01952	0.6
199.03969	9.5
201.01900	1.7
203.03386	1.5
205.04921	0.5
211.03928	1.0
215.03459	4.6
225.05508	1.9
226.02756	0.6
227.03415	8.4
228.03827	1.0
242.02174	6.1
243.02963	40.3
244.03427	2.9
254.02216	0.9
255.02965	19.8
256.03513	1.8
257.04584	5.1
259.06091	0.9
269.04367	0.5
270.01733	6.0
271.02472	54.9
272.02936	6.0
285.03998	12.7
286.04697	3.8
287.05481	1.8
299.01968	78.9
300.02670	32.3
301.03082	1.6
313.07181	0.7
314.04315	66.3
315.05075	100.0
316.02063	0.4
316.05408	9.5
329.06635	2.3
357.06183	1.2
519.11420	68.9
520.11755	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34954	0.3
55.60165	0.3
56.71197	0.2
58.38579	0.2
59.00988	0.4
59.01251	4.2
61.98698	4.3
65.00188	0.5
69.94690	0.6
69.95084	0.5
71.01242	1.1
73.02826	0.7
73.04273	0.2
75.00738	0.3
77.03831	1.0
79.01764	2.0
83.01253	0.3
83.22876	0.3
85.02820	1.0
89.02309	0.5
93.03333	0.3
97.02824	0.9
101.02313	0.9
105.03366	0.5
108.02031	1.3
109.02840	1.9
112.58646	0.2
113.02311	0.5
121.02841	6.1
123.04438	0.3
125.02322	0.4
133.02827	0.5
134.05952	0.3
135.00737	0.3
135.04373	0.3
136.01555	0.6
137.02324	1.0
138.03107	0.4
139.03894	1.1
148.01566	1.6
149.02336	1.9
151.00372	0.3
151.03883	0.4
153.01712	0.3
159.04427	0.3
161.02351	0.6
163.00316	0.4
163.03947	0.3
164.01050	0.4
165.01839	8.8
166.02199	0.6
167.03403	0.6
177.01814	2.2
178.02509	0.3
179.03468	0.3
183.02892	0.9
187.03922	0.4
191.01842	0.3
192.06490	0.2
193.01346	3.7
197.05989	0.5
202.06219	0.3
203.03380	0.4
205.01349	0.7
205.05022	0.3
206.02071	0.4
211.03926	0.3
212.04610	0.3
213.05476	0.9
215.03426	0.4
225.05492	1.2
227.03523	0.6
229.04941	0.7
230.05760	0.6
231.06346	0.3
239.03308	0.6
240.04230	2.6
241.05020	4.5
242.05443	0.4
243.02939	0.6
257.04532	13.0
258.04935	1.2
259.06097	1.2
268.03809	2.3
269.04538	21.9
270.01886	0.6
270.04916	2.0
271.02554	0.7
272.03268	0.4
285.04031	61.1
286.04440	5.9
287.05359	0.5
297.03983	0.7
300.02704	1.3
301.03107	0.3
311.05194	0.3
313.03555	1.8
314.04303	100.0
315.05026	55.1
316.05417	4.8
357.06271	0.3
459.09277	0.4
460.46399	0.3
477.10477	3.1
478.10916	0.4
519.11420	64.4
520.11743	10.7
520.19757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.1
61.98702	100.0
62.03143	1.8
69.47020	8.6
69.47434	4.2
70.34573	1.8
80.09563	1.7
98.19827	4.0
121.02837	24.6
135.04399	11.7
152.99547	3.0
156.97266	1.9
170.35776	2.0
171.79611	2.0
188.00325	2.0
207.71997	2.1
313.07059	5.2
391.26080	2.4
393.89291	2.2
481.21606	2.3
490.08441	2.0
519.13129	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	518.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
61.98705	47.0
65.70893	0.5
71.99287	0.5
78.95778	58.1
96.96842	4.6
121.50285	0.5
150.97926	1.5
152.99492	100.0
153.99838	1.7
171.00551	3.7
171.43976	0.6
178.23413	0.5
264.73773	0.5
277.21783	1.0
292.99954	0.5
351.25452	0.8
431.22025	19.9
432.22366	3.1
518.25183	1.9
519.27234	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
58.00475	0.7
59.01249	62.4
60.01586	2.1
61.98700	100.0
62.99114	0.6
70.67290	1.2
71.01250	13.1
72.99170	1.1
73.02816	11.0
79.01765	0.7
81.03336	0.7
81.60749	0.7
83.01260	5.3
85.02814	5.6
87.00762	1.2
89.02302	3.3
93.03339	0.6
101.02321	14.8
103.40279	0.6
104.05012	0.6
113.02329	6.2
119.03409	1.5
119.04967	0.8
121.02858	1.4
125.02355	1.5
128.03532	0.8
129.01801	0.7
131.03404	2.1
137.02350	1.3
140.21950	0.8
143.03424	1.4
149.04457	2.0
151.00307	1.2
155.46565	0.6
161.02385	1.2
161.04434	4.9
165.01883	2.4
167.03401	2.0
179.03419	0.6
191.01909	1.0
203.98486	0.7
205.43877	0.6
209.02948	0.8
210.27843	0.6
221.06702	0.8
225.05954	0.7
225.45450	0.7
268.82361	0.7
269.04596	2.3
285.04025	6.6
295.60519	0.8
306.07620	0.7
314.04330	10.7
315.05115	9.2
341.23093	0.7
357.06335	0.9
407.68860	0.8
416.23956	0.7
484.69357	0.7
517.70319	0.8
519.11346	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	518.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83457	1.0
57.03312	3.5
59.01257	7.5
63.02270	1.9
65.00195	7.5
65.99701	1.6
71.01257	6.4
71.53345	1.1
72.99168	2.9
73.02821	1.3
75.00733	1.7
78.23344	0.9
83.01260	6.4
85.02818	9.4
86.50871	1.0
87.00740	3.3
89.02320	1.5
95.01250	4.6
96.68810	1.0
99.00762	3.2
99.72076	0.9
101.02286	1.1
103.00246	1.8
107.01277	14.8
109.02841	8.4
113.02347	8.1
115.00246	1.0
120.99553	1.2
121.02823	3.2
123.00711	1.1
124.01547	1.8
125.01445	1.9
125.02335	28.0
126.02631	1.0
133.02849	49.9
134.03189	2.3
134.93228	1.1
135.00797	1.3
135.04376	3.1
136.52362	1.0
137.02350	15.5
139.15881	1.0
145.02856	1.8
146.02377	1.1
147.03215	2.0
149.02287	3.3
151.00282	47.4
151.03873	1.1
152.00876	3.7
153.01810	3.4
160.03905	5.4
161.02365	7.5
162.05525	1.5
163.00273	3.3
163.03865	1.4
164.03435	16.3
165.01846	2.3
165.57874	1.1
167.03331	1.2
169.01346	2.6
170.02325	1.6
172.03961	1.1
175.02408	2.6
175.03889	2.1
176.01056	3.8
177.01852	26.9
177.05344	1.3
178.02196	1.9
178.99786	22.0
179.03452	5.9
180.00172	1.7
186.01814	1.3
187.03847	2.2
188.03410	6.5
189.01846	1.9
190.01328	1.5
190.04990	11.6
191.05334	1.4
192.00583	2.8
193.01442	6.0
193.03130	1.7
198.01907	8.0
199.04053	1.5
203.03441	1.6
205.01363	18.7
206.04495	5.4
211.04083	2.1
214.04993	2.1
216.02940	16.0
217.05031	1.7
225.05489	2.0
227.03487	4.0
229.04907	2.8
231.02881	1.6
232.02463	54.2
233.02826	3.6
239.03499	1.7
241.05057	3.6
243.02979	1.9
255.03015	5.7
256.03653	4.8
256.06006	1.4
257.04568	9.4
258.04922	1.1
260.07559	1.1
269.04520	6.2
273.04108	2.9
280.06177	3.4
283.02426	3.2
284.03268	32.4
285.03949	11.5
287.05502	1.6
297.04028	21.2
298.04077	2.2
299.05505	4.3
300.05167	4.7
301.03436	12.5
302.04041	4.7
313.66333	1.1
314.03278	1.4
314.06699	10.7
315.04871	2.4
316.05399	1.2
324.05133	96.3
325.05597	10.2
340.06570	1.2
342.06174	100.0
343.06674	11.2
358.36328	1.0
366.07162	1.1
369.04636	1.6
380.07889	1.7
382.07431	1.3
396.07291	3.3
408.05966	3.0
433.07828	1.2
490.10437	1.3
500.08298	7.0
501.08295	1.7
518.09357	21.2
519.09467	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	517.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18037	0.8
50.34451	0.8
50.35243	1.0
53.91663	0.7
59.01237	2.6
61.98685	1.2
69.08711	0.8
71.52808	1.0
80.91550	7.2
119.04888	1.3
121.02799	1.7
133.02847	8.8
134.03632	8.0
135.03424	1.9
135.04413	29.9
136.04732	1.0
137.02344	4.6
139.03923	1.9
145.06390	0.9
150.03276	1.0
161.02338	20.2
162.02684	1.3
173.73227	0.9
175.02437	2.5
178.02574	2.3
179.03397	15.9
215.03493	2.0
219.01427	1.5
223.91042	1.0
261.95718	1.5
403.32819	1.0
435.27444	100.0
436.27820	18.2
457.24347	2.6
458.24350	1.1
517.11359	1.6
517.26416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38156	0.6
59.01238	5.1
61.98690	0.7
63.58653	0.6
65.00187	9.8
71.01253	1.9
71.53179	0.7
83.01267	0.8
85.02813	1.3
99.00744	1.0
101.02320	1.3
107.04935	1.1
109.02826	2.5
109.06475	1.5
119.04877	0.9
124.01471	0.8
133.02831	1.2
133.06491	16.6
133.80289	0.6
134.03618	2.5
135.04408	92.3
136.04768	4.1
137.00702	0.7
137.02298	0.8
149.02264	0.9
149.05962	1.9
149.99461	2.5
151.00232	1.3
151.07458	3.1
152.01056	0.8
161.02338	1.8
175.03947	0.7
175.07558	7.2
177.01891	4.1
191.07001	1.0
193.08562	3.7
201.01868	0.9
215.07011	0.8
219.06567	79.4
220.06985	6.5
233.08081	1.0
237.07637	1.8
243.06622	3.7
247.06039	0.8
285.03766	0.8
337.10837	6.4
340.47672	0.7
355.11838	100.0
356.12204	13.6
378.61789	0.7
517.17236	6.4
517.29822	3.4
518.16852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01644	1.1
55.01867	0.8
57.00787	0.6
57.03185	1.0
57.03461	1.4
59.01096	5.8
59.01433	4.1
59.88830	0.5
65.00066	1.0
65.00399	1.3
68.99561	0.6
69.03202	0.7
71.01081	8.0
71.01530	3.4
72.99047	0.7
73.02649	2.4
73.03084	1.0
77.09422	0.6
79.01627	0.6
81.03149	2.9
83.01070	5.3
83.01603	1.3
85.02635	5.7
85.03204	1.5
89.02125	1.9
93.03148	2.8
95.01074	1.9
95.04749	1.4
97.02637	2.0
97.03222	0.8
99.00595	1.1
99.04251	0.7
101.02116	6.1
101.02829	1.0
106.03950	1.0
107.01092	1.0
107.04696	2.5
108.01879	1.4
109.02607	2.4
109.06367	1.0
111.00594	1.4
113.02106	4.3
119.04765	1.1
121.02621	5.3
122.03380	1.9
123.00598	1.2
123.04178	3.3
124.01309	6.3
125.02106	4.0
125.09431	1.2
129.68925	0.6
130.04004	0.7
131.04677	1.9
133.02602	4.1
133.06270	5.6
134.03401	1.0
135.04156	2.4
136.01314	1.8
137.02089	4.1
138.02890	5.0
145.02718	1.1
147.07906	0.9
148.05035	0.8
149.02077	2.2
149.09392	4.2
150.02876	2.2
150.04027	0.6
151.07384	1.5
152.00868	1.1
153.01572	0.7
157.06306	0.7
159.04163	1.8
161.02083	1.8
161.04266	1.2
161.09425	0.9
163.00104	1.1
163.03700	1.7
163.07323	0.9
163.10997	0.9
164.00853	1.1
164.04413	0.6
165.01593	2.7
165.09087	3.0
166.02605	9.4
167.10658	3.0
171.04205	0.7
173.05714	0.8
173.09476	1.3
175.03665	2.7
175.07344	1.8
176.00952	0.9
177.01593	3.1
177.05231	2.2
177.08966	0.7
178.02425	1.1
179.03419	3.0
187.03773	0.8
187.07379	0.7
189.01732	1.6
189.08951	1.2
190.02385	0.6
191.03432	9.4
191.06863	2.2
191.10732	3.7
192.00394	0.9
193.01085	1.8
193.08615	18.1
194.01883	0.9
194.08788	1.1
199.07391	0.8
200.04483	1.0
201.05284	1.5
203.03464	4.2
203.06870	0.9
204.03790	0.7
205.08620	6.2
206.01942	0.7
207.10020	1.5
213.05273	1.9
215.06799	1.8
217.08443	2.4
218.09142	0.7
219.02748	1.5
219.06453	4.1
219.09915	1.7
220.06805	0.9
221.00627	2.2
221.08022	1.5
223.09465	1.6
228.07587	0.7
229.04993	0.7
231.06303	2.0
232.07089	1.2
233.08116	5.8
234.08594	2.4
235.09691	26.5
236.09869	2.4
239.06775	0.7
240.80045	0.8
241.12234	1.0
242.05641	0.9
243.06352	2.3
244.07222	1.1
245.07874	0.8
247.05862	1.8
247.09512	2.4
253.04933	0.9
255.06413	1.6
256.07181	1.2
257.07819	0.8
261.07651	3.8
262.08386	4.4
263.09222	1.2
265.10736	5.5
269.11618	2.3
271.05966	1.3
272.06741	1.5
273.07571	1.1
274.95267	0.6
275.08994	1.4
283.13287	1.0
284.06839	1.1
289.06900	1.8
291.08514	0.9
293.04492	0.7
295.13187	0.8
296.06689	0.8
297.14752	1.1
307.06073	1.1
307.12988	0.7
311.12775	1.1
313.07205	0.8
323.12723	0.9
325.14319	1.5
327.08817	0.9
327.12366	11.2
328.12650	1.0
337.10422	0.8
339.12479	3.0
351.12335	3.0
353.13992	5.0
355.11890	4.4
367.11768	2.2
369.13367	35.4
370.13690	4.4
379.11890	8.4
380.12418	1.2
381.13367	2.7
383.14810	1.3
397.12872	100.0
398.13217	14.6
399.14395	11.7
400.14679	1.4
401.08734	3.0
409.12839	4.5
414.11673	0.7
427.13916	51.8
428.14258	7.9
439.13901	1.7
457.15250	1.2
471.17044	1.0
499.16110	5.6
500.16809	0.8
517.09186	1.5
517.17395	32.3
517.30023	58.0
518.17505	5.4
518.30334	5.5
537.20447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1561
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03312	1.6
59.01249	11.0
63.04028	1.9
71.01249	12.1
71.52995	2.6
72.99183	2.1
78.62988	1.6
80.50356	1.6
85.02824	13.0
87.00742	8.9
88.35395	1.9
89.02322	5.2
97.48235	1.7
101.02334	7.9
101.92243	2.1
105.03378	1.8
113.02370	5.5
117.03364	2.8
119.03406	3.3
126.51879	1.5
132.02043	12.6
133.02872	2.9
134.03632	58.0
135.04346	2.0
137.02318	3.0
143.03326	1.8
148.60330	1.7
148.72330	2.1
149.02365	2.7
149.05966	10.3
160.01575	56.6
161.02188	3.6
175.03918	100.0
176.04446	7.4
177.01860	3.1
178.02667	6.4
191.01903	6.8
191.07080	5.4
193.04996	97.3
194.05437	6.5
209.03012	5.7
235.06120	18.4
265.07068	9.2
295.08249	6.3
300.02710	2.0
319.08496	2.3
337.09274	10.2
341.11029	2.4
342.06235	2.9
355.10352	4.4
517.15710	57.4
518.16058	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26366	0.1
50.35126	0.1
55.01743	0.3
57.03306	0.2
58.00459	0.2
59.01249	5.4
61.91539	0.1
61.98679	0.1
63.78076	0.1
70.04670	0.3
71.01251	4.2
72.99185	0.3
73.02814	0.8
74.41496	0.1
75.00742	0.2
83.01237	0.4
85.02820	1.0
86.61681	0.1
87.00742	0.6
89.02313	3.0
91.03868	0.2
93.45432	0.1
95.01231	0.2
97.02775	0.2
99.00766	0.2
101.02325	3.7
102.07240	0.1
103.03902	0.2
105.85156	0.1
111.38319	0.1
113.02328	1.6
119.03375	0.9
119.70033	0.1
123.56488	0.1
125.02277	0.1
125.87502	0.1
130.27696	0.1
133.04941	0.3
143.03372	0.5
157.04935	0.1
161.04459	1.5
179.05513	0.4
191.78815	0.1
205.87163	0.1
235.08182	1.0
238.12932	0.1
253.09251	14.4
254.09514	0.8
261.22379	0.2
279.23270	100.0
280.23615	11.5
292.82672	0.1
328.75198	0.1
426.78223	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	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.0
58.02849	2.4
59.01246	22.1
68.99686	4.5
69.03339	2.4
71.01251	22.9
71.51778	1.9
72.99185	3.0
73.02819	20.8
75.00739	7.4
77.56710	1.9
78.95786	2.6
79.95616	2.7
81.03349	3.5
83.01260	6.0
83.04898	8.5
85.02837	9.7
87.00716	4.0
88.00413	2.1
88.03907	20.3
89.02311	25.5
93.03335	46.4
94.03645	2.5
96.95891	4.1
96.96845	9.6
99.00755	10.1
99.04379	6.0
101.02325	14.6
109.02840	6.5
111.00779	9.9
111.04400	20.0
113.02325	9.4
118.37938	1.9
119.03381	8.8
125.02337	8.7
128.03432	2.2
129.01860	10.5
130.04994	19.9
131.04556	2.1
131.08167	4.3
132.06476	3.9
135.04422	6.5
137.02341	17.4
143.03381	5.8
151.00241	6.9
153.01833	26.5
155.03323	10.7
161.02399	5.6
172.06161	3.1
172.89848	6.7
173.00856	20.2
173.04462	100.0
174.04895	3.8
174.07590	3.6
177.01810	3.6
179.03453	5.2
179.05547	11.5
191.05525	29.4
201.96680	2.4
290.37598	2.1
315.07266	3.8
323.07468	2.6
341.10907	67.7
342.11069	8.0
353.08548	4.9
392.05334	2.3
515.13470	8.6
538.35345	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.6
59.01250	9.4
61.98700	1.6
65.00181	0.7
71.01247	1.5
71.53503	0.4
73.02826	0.7
77.08614	0.5
78.95784	1.0
83.01278	0.7
84.69873	0.4
85.02822	1.8
89.02323	0.7
93.03292	0.7
95.01283	0.6
97.02827	0.5
99.00765	0.9
105.01805	0.8
105.52782	0.5
109.02837	0.9
109.06541	0.5
113.02338	0.8
121.02798	0.5
125.02367	0.7
131.01266	0.7
133.02859	6.4
133.06400	0.7
134.03568	0.6
135.04434	4.9
137.02315	0.7
139.03845	0.5
141.42400	0.5
145.02841	0.8
149.02322	1.0
151.00273	1.7
152.99493	1.0
159.04420	0.6
161.02345	1.2
163.00243	2.2
163.03865	0.6
173.02335	0.7
175.00301	2.6
175.03836	0.6
176.01065	0.8
177.01883	1.1
179.03465	0.5
189.01901	0.8
199.03880	1.0
201.01843	1.2
203.03406	0.6
209.06140	0.5
211.03899	0.8
213.05386	0.5
215.03548	0.7
217.05009	0.7
219.06554	1.2
225.05498	0.8
227.03481	1.9
237.05420	0.8
239.03423	0.8
241.04958	1.0
243.06558	0.9
253.05020	2.0
255.02843	0.8
256.03687	1.4
257.04443	0.5
259.06064	0.5
263.70941	0.5
265.05151	0.8
267.02960	0.8
269.04523	1.0
281.04498	2.1
282.05243	0.5
283.02585	0.9
284.03229	10.2
285.03961	2.4
291.02823	0.6
293.04642	1.3
295.02588	0.5
295.06265	0.7
297.04068	9.4
298.04782	2.3
309.04047	41.6
310.04562	6.0
313.03531	1.2
323.05615	1.7
327.04691	0.5
333.07660	0.7
335.09235	1.1
337.03452	2.7
337.07181	3.0
338.07712	0.9
346.92993	0.5
351.08774	1.8
352.09543	3.9
353.10294	53.1
354.10651	7.4
365.10339	0.8
395.11261	4.1
425.12582	2.7
497.14441	0.6
515.15564	100.0
516.15869	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	515.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	0.3
69.23084	0.9
69.23492	0.3
75.18159	0.2
79.01768	0.2
80.37354	0.1
83.01251	0.2
105.03358	0.3
107.04880	0.2
109.02836	1.7
109.06487	0.3
121.02820	0.2
123.00760	0.2
127.03812	0.2
131.46082	0.1
132.02071	0.4
133.02840	11.8
133.06487	0.9
134.03258	0.5
135.04398	0.5
149.02339	0.3
151.03873	0.5
160.01579	0.2
161.02332	0.5
162.03094	0.2
163.00337	0.3
163.03821	0.2
163.07512	0.2
173.02341	0.3
173.06062	0.2
173.09724	0.2
174.03145	0.5
175.00349	0.3
175.03915	1.4
176.04408	0.3
177.01866	0.9
187.03790	0.3
187.07555	0.3
189.01830	0.6
189.05464	0.2
189.09187	0.3
190.02550	0.5
193.08652	0.2
199.03867	0.3
201.01823	1.1
203.03484	0.4
205.08621	0.2
206.84547	0.2
211.03951	0.4
212.04543	0.2
213.05463	0.6
213.09007	0.2
214.06171	0.2
215.07106	0.2
215.10736	0.5
216.04219	0.2
217.08580	0.5
224.04790	0.3
225.05568	0.3
226.06281	0.2
227.03378	0.4
229.08679	0.5
231.06546	0.7
231.10213	0.5
233.08162	0.3
237.05421	0.2
238.06194	0.2
239.03369	0.2
239.07124	0.3
240.04187	0.3
240.07896	0.2
241.05022	0.5
241.08618	0.2
243.06522	0.2
251.03430	0.2
251.07079	0.2
251.96227	0.2
253.04967	0.4
255.02864	0.3
255.06645	0.3
259.09781	1.1
261.07700	0.6
265.05045	0.5
266.05795	0.2
267.03094	0.3
267.06543	0.5
268.03717	0.3
269.04462	0.4
271.09763	0.5
278.05652	0.2
279.06760	0.4
281.04486	0.6
283.05991	0.5
284.03265	0.4
285.04050	0.2
291.06531	0.2
293.04553	0.3
293.11768	0.2
295.02356	0.2
295.06000	0.5
296.03470	0.2
297.04117	3.0
297.07477	0.2
298.04752	4.3
298.08060	0.3
299.05173	0.6
307.09515	0.2
309.04019	8.0
310.04587	1.4
311.05563	3.3
311.09152	0.2
312.06259	2.2
313.06833	0.3
321.11206	0.3
323.05573	9.3
324.06082	1.7
325.06714	0.2
335.05524	0.2
335.09256	0.2
337.07123	0.4
337.10825	0.3
339.05048	2.3
339.12094	0.2
340.05380	0.4
344.05402	1.3
349.10803	0.2
351.04938	0.2
351.08670	0.8
351.12381	0.2
352.09433	0.5
353.05960	0.3
353.10254	4.5
354.10550	0.6
365.10263	12.3
366.10574	2.1
366.14975	0.2
367.11780	8.4
368.12119	1.3
369.06161	0.2
377.10269	0.9
379.11954	1.1
392.08917	0.5
393.09949	0.8
395.11304	100.0
396.11649	14.1
407.11353	2.4
408.11630	0.4
409.12817	0.4
425.12390	26.1
426.12726	3.4
437.12460	2.7
438.12531	0.6
449.12296	0.2
461.12259	1.2
462.12653	0.3
467.13361	0.5
479.13321	0.4
515.15533	15.7
516.15820	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	515.1558
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
54.09386	0.6
59.01260	4.0
61.98705	0.9
66.65701	0.6
68.99677	1.4
71.01235	1.5
71.53292	0.8
77.50119	0.7
85.02827	1.0
89.02325	1.6
99.00739	3.1
113.02325	0.8
125.02311	1.0
127.03896	2.5
133.02846	6.9
135.04456	1.0
137.02333	0.9
145.02843	1.1
151.00270	1.3
161.02347	1.5
163.00238	1.3
163.03923	1.8
175.00262	2.7
175.21695	0.8
177.01744	0.9
202.27667	0.6
234.27571	0.8
253.04817	1.1
255.02907	1.0
263.58923	0.8
265.05099	1.4
267.03128	1.3
269.04590	1.7
281.08026	0.7
284.03189	2.3
297.04050	17.0
298.04684	5.1
309.04041	47.5
310.04337	4.5
323.05692	0.9
330.03751	5.2
337.07169	2.0
352.09625	1.0
353.10300	100.0
354.10672	15.5
395.11444	1.1
515.15601	79.3
516.15930	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	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
61.01689	0.1
61.98704	100.0
62.98396	0.2
65.06952	0.1
69.38258	0.1
69.38667	0.4
83.04919	0.1
85.02838	0.2
89.02294	0.1
125.02325	0.1
137.02402	0.1
149.05922	0.1
171.42300	0.1
191.01921	0.1
452.33463	0.3
453.33777	0.3
454.33707	0.8
514.32611	0.2
515.12476	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	515.1228
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
51.13172	1.1
51.40719	1.2
56.79710	1.3
67.01086	1.2
68.00062	1.3
68.44596	1.2
68.78281	1.3
70.94154	1.3
71.01214	1.3
71.01794	2.0
76.38091	1.1
79.95608	89.0
80.96378	8.7
91.66511	1.2
96.95896	6.1
119.28231	1.3
124.01560	2.9
135.04401	1.5
137.02351	2.3
139.03899	6.1
145.02864	2.0
151.00267	14.1
151.03932	1.9
152.01021	1.5
153.01837	1.9
153.05481	1.5
163.03888	1.5
166.02626	31.5
167.03323	3.3
173.02345	2.9
174.02911	1.6
175.03877	3.1
176.04684	1.7
177.05505	1.4
181.05000	34.3
182.05356	1.8
188.04684	2.0
189.05519	2.3
190.06265	2.5
191.07007	1.5
205.08664	3.5
207.06468	2.8
216.93610	1.1
253.05067	2.5
269.04654	3.9
281.36032	1.6
284.06949	1.5
297.04034	12.6
298.04474	2.3
312.06387	15.3
312.09799	1.8
313.06790	2.0
327.08704	29.8
328.08875	4.3
342.11069	41.9
343.11334	5.0
357.13412	64.6
358.13651	6.0
375.14545	11.7
405.15512	35.7
406.15851	6.3
417.15506	4.2
425.96280	1.3
435.16437	1.7
515.12292	100.0
516.12372	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63433	0.2
55.01723	0.3
59.00949	0.4
59.01246	6.7
68.12421	0.2
69.26893	0.6
69.27298	1.0
71.01252	4.1
73.02810	1.0
74.13702	0.2
76.05108	0.2
78.54422	0.2
83.01254	0.6
85.02816	0.8
87.00750	0.7
89.02320	3.1
91.03859	0.3
92.48419	0.2
95.01241	0.3
99.00750	0.2
99.40624	0.2
101.02322	4.0
113.02330	1.8
115.03804	0.3
119.03387	1.0
129.66386	0.2
133.04976	0.4
143.03368	0.3
144.12610	0.2
154.39923	0.2
161.04472	1.4
179.05484	0.6
202.53664	0.2
235.08112	1.2
253.09245	17.0
254.09587	1.2
259.20514	0.4
277.21701	100.0
278.22049	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	513.2856
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01248	3.1
62.74078	0.7
71.01260	1.6
71.53019	1.4
78.95792	4.5
89.02303	0.7
91.03943	0.8
93.91341	0.7
117.03352	21.1
118.03666	0.8
119.04916	52.7
120.05273	2.3
121.02883	2.1
123.04399	0.9
124.98653	0.8
132.05682	3.0
145.02856	100.0
146.03227	4.2
149.60857	0.8
152.99458	6.1
163.03926	29.1
164.04286	2.1
237.07501	0.9
253.09402	1.9
256.23666	0.9
275.20032	1.6
277.21732	17.2
277.88690	0.9
278.22324	1.5
293.21234	3.2
303.45920	0.8
335.23822	1.1
353.24951	2.7
421.23846	27.6
422.24237	4.1
431.22058	2.1
439.24829	22.3
440.25247	3.5
513.28577	47.4
514.28906	10.3
521.45264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03320	0.2
58.00463	0.4
59.01251	7.4
69.03335	0.1
70.13952	0.2
70.14297	0.1
71.01253	5.2
72.99178	0.3
73.02818	1.0
81.03344	0.1
83.01247	0.6
83.04896	0.1
85.02827	1.2
86.94207	0.1
87.00750	0.6
89.02315	3.9
91.03887	0.3
93.59149	0.1
93.66388	0.1
95.01274	0.4
97.02840	0.2
99.00777	0.3
101.02322	5.0
102.02663	0.1
103.03864	0.1
110.30127	0.1
113.02331	2.3
115.03861	0.1
119.03379	1.1
125.02325	0.2
127.07529	0.2
131.03378	0.2
133.04942	0.3
143.03423	0.4
145.04880	0.1
149.04448	0.1
157.04965	0.2
161.04465	2.0
162.04845	0.1
179.05508	0.7
233.22670	0.3
234.61693	0.1
235.08188	1.1
236.08626	0.1
253.09261	17.6
254.09596	1.0
259.20566	0.4
275.20059	0.3
277.21713	100.0
278.22052	12.0
493.47137	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	511.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66667	0.3
57.03305	0.4
59.01252	2.2
61.39195	0.3
61.98698	0.6
63.96104	1.1
69.03313	0.8
71.01253	8.1
71.24114	0.7
72.99190	0.4
73.02816	1.6
73.12436	0.3
77.97542	0.3
78.95744	0.3
78.98463	6.3
79.95604	10.1
80.96389	65.4
81.03335	0.6
81.96310	0.4
82.91421	0.3
83.01266	0.6
85.02820	3.7
87.00750	2.9
89.02341	0.5
94.97961	15.1
95.01256	1.0
96.95878	1.2
97.02814	1.6
99.00762	0.9
99.04370	0.3
101.02306	3.0
106.97959	2.7
109.02843	0.3
110.50560	0.3
113.02321	0.7
121.02821	0.8
122.97476	2.6
125.02328	3.0
127.03912	0.7
134.97475	5.1
135.04436	0.6
135.19455	0.3
136.99028	1.6
139.00323	0.4
143.03426	0.4
146.97537	0.4
148.99045	6.0
152.98534	5.6
164.98543	11.2
167.00148	0.6
206.99631	2.5
211.13304	3.2
217.54616	0.3
225.00699	16.7
225.10899	0.3
226.01015	0.7
285.03717	0.3
299.04428	3.2
300.05200	0.3
308.46570	0.3
314.83127	0.3
328.05368	0.9
337.20557	0.3
425.04871	0.3
448.09500	0.6
492.46945	0.3
511.18512	100.0
512.18842	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	11.4
59.01247	27.2
65.00199	19.2
71.01259	19.4
71.08587	10.9
72.99172	16.2
74.98949	8.6
83.01266	9.3
85.02819	23.9
87.00758	9.3
93.03366	6.7
95.01268	16.0
99.00753	17.7
107.01274	26.1
109.02829	41.7
111.00761	11.5
113.02341	36.4
121.02863	10.8
123.00816	11.3
125.02325	72.7
133.02846	14.9
135.00763	8.6
135.04384	8.4
137.02330	43.7
138.19066	7.3
139.00259	27.9
141.01849	22.9
149.02330	22.1
151.00275	93.0
152.01031	7.2
153.01817	54.6
161.02362	6.5
163.00316	46.0
165.01854	33.7
166.02132	7.2
166.99753	24.2
169.01317	45.0
171.04311	8.4
173.19481	6.1
177.01901	19.2
178.99789	100.0
180.00125	12.8
181.01328	65.5
182.02072	10.8
183.02922	6.8
185.00832	24.6
187.03951	7.6
190.99858	20.3
191.03384	7.0
193.01343	43.0
193.03322	13.9
194.99370	6.9
199.02391	21.7
203.03529	9.9
206.99315	17.1
208.00221	11.5
209.00867	62.1
219.02966	11.9
224.98430	8.3
225.00323	44.2
227.03557	7.1
231.02890	10.3
242.19154	6.7
243.02921	13.8
245.04530	11.4
251.90257	6.5
255.02962	22.5
257.04553	12.5
259.02084	7.8
269.14386	7.1
271.02490	28.6
273.04123	25.3
283.02469	19.4
284.03110	9.3
285.04074	15.2
289.03641	11.2
299.01904	53.2
301.03366	43.6
317.02979	72.3
318.03137	8.7
328.05383	10.1
335.04028	52.4
336.04898	9.3
357.04901	8.5
358.05316	13.3
375.05991	9.6
385.04050	19.6
401.03622	6.9
448.09497	9.7
511.07367	15.3
511.26053	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	510.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98901	2.0
59.01260	2.9
59.27689	1.7
61.98701	100.0
66.80627	2.1
67.48943	1.8
68.42428	1.6
71.52824	2.4
96.95922	1.9
117.55648	1.7
133.02849	11.0
134.03627	2.2
135.04419	11.6
143.59717	1.8
161.02341	43.7
162.02704	2.8
162.04086	2.1
179.03442	5.0
183.13913	3.5
185.18330	2.0
209.11676	2.8
275.20187	4.0
284.03253	3.0
285.04001	2.4
285.20844	4.9
297.04007	3.3
299.05499	4.4
327.05136	20.2
328.05487	2.1
355.33966	1.9
357.06183	7.3
447.09427	15.6
447.23822	41.1
448.09842	3.5
448.24246	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41173	3.1
57.03326	8.9
59.01245	14.5
63.02253	9.4
65.00179	14.6
68.99669	3.9
69.03324	5.5
70.55600	8.4
71.01254	18.4
72.99176	10.1
74.31007	3.9
75.00742	5.8
81.03344	5.4
83.01250	17.2
85.02834	19.2
86.02468	3.4
89.02354	3.8
93.03343	7.5
95.01249	18.8
97.02876	3.8
98.02996	3.4
99.00768	23.6
99.01340	3.6
100.05225	3.6
101.02295	5.4
107.01289	32.1
109.02853	35.2
111.00754	15.8
113.02351	22.7
121.02869	8.1
123.00745	14.8
124.01557	4.5
125.01450	5.7
125.02335	72.9
133.02855	10.5
135.00764	9.6
135.04401	3.8
137.02328	44.9
139.00273	31.4
141.01846	20.9
145.02820	3.7
148.01595	6.0
149.02365	18.3
151.00267	100.0
151.03854	3.4
152.00903	8.2
153.01855	51.9
154.02216	3.8
157.01390	4.5
159.04381	6.4
161.02333	7.5
163.00269	36.0
165.01807	33.7
166.99779	26.4
167.03403	7.7
168.00511	3.9
169.01340	31.7
171.04420	5.0
175.00284	3.7
175.02419	6.2
175.03879	8.0
177.01819	13.6
178.99786	88.3
180.00168	7.3
181.01350	50.4
182.01782	3.5
183.02887	6.2
183.04437	4.4
185.00768	8.0
185.02319	3.8
187.03871	7.2
190.99738	15.6
191.03426	5.9
192.00662	3.6
193.01326	34.9
193.03325	7.0
194.99362	7.0
197.00839	5.2
199.02367	14.4
199.03996	8.5
201.01768	6.1
203.03429	9.6
206.99277	15.8
207.02821	4.8
207.99962	13.8
209.00847	60.5
211.03976	4.3
217.04967	9.2
219.02858	11.4
221.00648	4.0
225.00343	32.5
227.03409	12.4
229.04991	6.0
231.02873	15.4
232.03246	4.6
233.04605	5.4
235.02319	7.3
243.02904	11.9
245.04488	8.6
246.63026	4.0
255.02995	24.6
256.03705	6.6
257.04578	8.2
261.04138	4.6
271.02539	32.0
272.03122	4.9
272.09189	4.1
273.04074	17.4
274.04135	4.1
283.02393	15.8
284.03217	9.0
285.03955	13.0
289.03558	10.2
291.04977	4.9
299.02051	34.2
300.02612	8.2
301.03528	40.8
302.03854	4.3
316.99438	5.1
317.02985	70.6
318.02985	5.0
335.04010	42.4
336.04959	14.9
357.04935	5.1
358.05429	8.7
375.05463	4.9
385.03934	12.1
477.06821	4.7
493.06290	5.5
511.07367	14.0
512.07660	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74397	0.5
59.01246	1.0
61.98698	8.6
66.00970	0.5
83.01260	0.9
107.01283	0.8
109.02835	0.8
115.22057	0.4
124.89517	0.5
133.02812	3.3
149.02321	0.8
151.00302	2.4
156.00500	0.5
163.00252	0.6
172.64491	0.4
175.04033	0.8
199.03874	0.8
200.04755	0.6
201.01889	0.9
211.04010	0.9
217.04988	0.6
227.03499	0.6
244.31401	0.5
255.03017	0.7
256.03726	1.9
283.02560	0.7
284.00000	0.9
284.03262	41.5
285.04028	100.0
286.04370	8.6
297.04019	1.2
299.05450	0.9
327.05066	7.9
328.05463	0.9
357.06140	1.9
440.57788	0.5
447.09296	82.5
448.09674	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57090	0.8
61.98702	5.4
97.99124	0.8
109.02824	2.1
121.02856	1.5
129.42773	1.0
133.02850	8.2
135.04411	1.6
149.02321	2.4
151.04088	1.0
161.02255	0.8
163.00267	2.1
163.03937	2.2
165.01854	2.2
175.03934	2.2
177.01860	1.0
191.03481	2.0
193.01373	1.0
199.04005	1.6
201.01865	1.1
227.03409	1.2
253.04961	1.1
273.86755	0.9
284.03262	7.9
285.04007	9.1
297.04050	15.6
298.04742	8.4
299.05609	18.0
309.03882	1.0
311.05597	2.6
325.03464	1.5
327.05081	100.0
328.05444	10.1
339.05069	3.4
341.06784	1.7
357.06165	24.8
358.06561	1.9
369.06021	2.6
393.05966	1.0
447.09323	56.3
448.09821	7.1
488.49933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1696
Annotation	Marikarin
Peak:m/z	Relative Intensity
57.03322	0.4
57.30964	0.3
59.01246	1.3
61.98702	0.5
63.96114	0.8
64.52522	0.3
69.03326	0.3
69.87827	1.4
71.01252	8.1
72.99183	0.3
73.02821	1.4
78.95785	0.7
78.98463	5.5
79.69141	0.3
79.95602	9.0
80.90808	0.3
80.96390	64.0
81.03341	0.8
81.96383	0.3
85.02818	3.3
87.00754	2.8
94.85155	0.3
94.97961	15.6
95.01260	0.5
96.19391	0.3
96.95885	1.1
97.02816	1.6
98.19845	0.3
99.00755	0.8
99.04433	0.4
101.02315	2.4
102.46278	0.3
106.97974	3.5
113.02327	0.3
119.04869	0.4
120.99538	0.6
122.97479	2.9
125.02335	2.7
127.03893	0.9
134.97466	4.9
136.99013	1.3
148.62602	0.3
148.99045	6.4
152.98529	5.7
164.98540	11.4
167.00002	0.4
188.98497	0.3
206.99657	2.5
209.11728	2.6
225.00681	14.5
226.00919	0.7
256.03479	0.4
284.03162	0.9
285.04181	0.4
286.48901	0.3
297.04013	0.4
299.04391	2.7
313.03571	0.4
327.05042	0.7
357.05954	0.4
447.09558	0.6
509.16940	100.0
510.17258	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	509.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03544	1.8
59.01251	21.4
61.98705	49.2
66.38899	2.1
71.01254	13.0
73.02815	7.2
83.01247	5.0
84.10074	1.7
85.02818	5.7
89.02308	6.0
99.00788	2.7
101.02320	7.8
109.02832	2.2
109.78307	1.8
111.89741	1.8
113.02322	4.9
116.04949	8.2
118.52853	2.1
119.03368	4.0
125.02334	2.2
133.02820	4.0
137.02321	2.9
142.06544	11.7
161.02316	5.2
161.04471	2.9
170.06033	12.2
181.09892	1.9
201.09189	4.8
202.09917	20.1
205.08556	4.0
211.13365	4.1
217.12274	8.8
245.08353	3.2
245.10773	3.2
246.08917	20.5
247.09216	2.9
261.11295	100.0
262.11642	7.3
284.03360	3.4
285.04022	10.4
297.04196	4.2
299.05496	5.8
315.05008	2.4
327.05106	25.2
329.17468	2.5
347.18631	9.2
357.06073	6.3
447.09232	22.6
509.24121	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	509.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46899	0.5
57.03321	8.2
59.01249	2.9
61.98714	1.0
65.00190	2.7
67.01783	0.8
68.99679	1.9
71.01245	1.8
71.53394	0.7
79.01767	1.0
81.03316	1.3
83.01250	13.4
85.02832	2.8
89.02287	0.8
95.01257	1.1
97.02814	1.1
101.02321	1.1
107.00635	0.6
107.01256	3.9
108.02042	1.4
109.02839	7.2
111.00759	0.7
111.04369	0.5
113.02319	1.4
121.02866	0.9
123.00802	1.1
123.04440	2.0
124.01559	1.4
125.02332	100.0
126.02675	4.4
133.02827	1.2
135.04428	3.6
137.02333	1.8
139.03900	2.8
147.04396	0.7
149.02335	12.0
151.00272	17.6
152.01016	2.5
153.01837	65.1
153.05437	2.7
154.02197	3.2
161.02258	1.2
163.03906	1.0
165.01808	1.4
166.02655	0.8
167.03413	9.8
172.18605	0.7
177.01880	2.2
178.99869	1.8
179.03432	5.3
181.04958	3.1
193.01311	1.3
195.02882	1.0
203.73347	0.6
205.01283	1.6
207.02946	2.1
209.04590	0.7
209.08391	0.6
269.06702	2.2
284.03140	1.3
285.04068	2.1
297.06186	2.5
298.04709	0.7
299.05496	1.6
301.07300	1.1
311.08243	4.1
315.05328	0.8
327.05011	7.0
329.06207	1.1
333.06161	2.4
355.06772	1.2
357.05991	1.4
437.10739	6.6
438.11188	1.1
447.09415	6.7
491.12558	0.7
509.13583	3.1
509.29428	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	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98936	1.8
56.18818	1.9
59.01239	6.2
61.98701	100.0
66.39351	2.6
69.39124	6.6
69.39551	7.6
71.01255	2.3
78.95768	8.5
82.98550	1.9
85.02798	3.1
88.75737	1.8
94.89365	1.9
96.44769	1.7
124.66338	1.8
152.99480	2.2
192.55313	1.8
195.15611	1.8
209.11786	2.4
210.12149	2.6
293.21191	2.2
300.02798	4.4
313.03250	2.1
315.05054	4.2
322.44275	2.1
347.18802	2.9
445.24255	3.7
479.26828	2.1
508.26788	6.7
509.24323	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	509.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48194	0.7
57.03313	1.5
59.01251	9.6
61.63673	0.5
61.98694	1.4
63.02266	1.2
64.02406	0.5
65.00195	1.8
67.01752	1.0
69.53880	3.8
70.62701	0.8
71.01256	8.3
72.99174	2.1
73.02822	1.5
75.00749	4.1
80.96387	1.0
83.01254	2.0
85.02819	19.2
86.17922	0.5
87.00745	2.8
89.02300	2.3
94.99264	0.6
95.01265	8.0
97.02837	0.7
98.20506	1.1
99.00749	6.9
101.02319	1.0
101.11323	0.5
103.00228	2.5
104.48766	0.6
107.01245	2.6
109.02818	0.8
111.00770	0.6
113.02328	34.0
114.02651	1.1
114.76022	0.6
115.00240	1.9
117.01820	1.7
119.04912	0.9
120.99555	0.7
121.02864	0.9
123.04383	1.0
125.02325	2.3
128.54761	0.7
129.01855	1.3
133.02846	2.1
135.04381	1.0
137.02351	1.2
139.00262	2.5
139.03909	1.0
149.02315	1.5
150.34201	0.5
151.00270	6.9
151.03920	2.1
153.01816	0.9
153.05524	1.1
157.02834	0.6
158.03667	1.4
161.02406	1.2
163.00262	0.7
163.03886	0.8
165.01849	1.0
166.02568	0.7
167.03473	2.8
169.01479	0.6
169.02875	2.8
169.28973	0.7
175.02374	5.1
175.03838	1.0
176.00974	0.8
176.02557	0.8
179.03439	0.7
181.04968	0.7
185.02217	0.8
189.01508	0.5
191.03415	1.0
193.01340	1.6
195.02991	0.6
197.02385	1.6
199.03864	0.6
201.01839	2.7
203.03392	0.7
205.04939	0.5
213.01974	0.9
214.02635	13.3
215.03189	1.7
225.01860	1.8
228.74127	0.6
229.01317	0.9
229.05019	1.1
230.02098	1.8
233.04485	2.0
233.93605	0.6
236.18542	0.7
241.01320	1.3
242.02104	5.9
243.02817	2.4
245.01009	0.5
257.04565	1.2
258.01657	1.8
259.02258	0.9
269.00854	3.5
274.01190	2.2
275.05521	1.5
284.03329	1.6
285.04044	16.0
286.01163	31.6
287.01495	3.3
297.03992	2.6
298.04907	0.9
299.05627	2.1
301.03519	23.7
302.03812	2.4
327.05124	11.7
333.06128	100.0
334.06525	9.1
357.06131	3.7
421.09503	0.6
447.09366	11.6
477.06772	5.1
508.28476	1.3
509.12558	1.8
509.29236	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	508.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59042	0.3
59.01241	1.4
61.98699	100.0
69.34682	2.0
69.35089	0.7
71.01234	0.4
78.95761	4.7
85.02829	0.7
93.92914	0.4
95.88343	0.3
96.80411	0.4
99.08044	0.5
111.08025	0.3
119.04971	0.5
129.09151	0.8
139.11243	0.5
140.01122	0.7
151.11234	0.4
152.99532	0.8
169.12228	0.7
171.10219	1.4
182.44116	0.4
183.13983	0.4
185.11801	0.5
196.03722	0.4
197.11722	2.3
199.13385	0.9
202.16397	0.4
208.70541	0.4
211.13388	3.0
214.04887	1.1
263.09225	0.4
285.04068	0.5
293.21283	2.5
295.82523	0.4
311.22244	17.2
312.22806	1.2
312.41373	0.4
508.26691	7.6
508.33426	0.6
509.27338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2609
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.79752	1.6
52.06456	1.5
58.95766	1.8
59.01241	7.0
60.88025	1.8
61.98703	4.2
65.37517	1.6
71.01233	1.7
71.23847	3.7
73.03942	2.8
78.95765	5.9
80.86150	1.6
93.03323	2.2
99.01904	1.7
115.08650	8.9
118.00537	1.5
119.04883	13.8
125.07084	2.9
126.05479	2.5
137.07094	2.5
141.06604	3.9
142.06470	1.7
146.05995	3.8
152.99481	6.2
155.08162	3.3
161.02330	3.1
162.05482	3.6
163.03947	2.1
170.09332	3.4
172.10872	9.0
179.11679	2.2
188.04497	1.5
200.10887	1.7
214.15500	4.7
228.10246	1.9
245.12892	4.4
262.15582	7.3
293.21130	7.9
309.20947	2.1
401.21896	28.0
402.22153	3.4
471.26205	10.7
489.22726	4.5
507.26099	100.0
508.26572	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	507.1142
Annotation	Gossypetin 7,8-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
59.01248	0.8
69.49075	2.8
85.02792	0.5
96.94090	0.4
98.19734	0.4
122.02309	0.4
151.00256	1.1
172.37640	0.4
193.01317	0.6
214.90265	0.4
220.88741	0.5
224.81784	0.5
258.01678	12.1
259.02094	0.9
273.04019	1.0
286.01184	37.0
287.01611	2.2
290.00684	21.3
291.00952	2.1
299.01910	1.2
301.03519	16.7
302.03998	2.0
314.00775	1.0
315.01581	0.7
329.03012	92.9
330.03394	9.4
342.03604	0.7
343.04333	0.9
344.05341	31.7
345.05789	3.8
445.19891	0.5
475.08786	1.4
507.11429	100.0
508.11774	15.9
531.09442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
59.01246	11.5
59.51009	1.2
61.98697	9.3
65.00208	1.7
71.01254	8.0
71.27460	1.2
71.33074	1.6
73.02821	3.4
78.95786	2.8
81.96014	1.1
83.01260	2.0
85.02843	4.3
87.00716	1.4
89.02339	2.0
97.02808	1.5
99.00780	1.7
101.02328	4.1
107.01303	2.1
111.60395	1.1
113.02316	3.9
119.04921	1.4
123.04421	1.1
125.02357	2.7
133.02867	2.7
134.03587	2.0
137.02303	2.8
149.02357	5.5
151.00284	8.4
161.02344	23.0
161.04445	1.7
165.01912	1.3
170.42058	1.1
171.99542	1.4
174.03123	1.4
175.03952	2.2
177.01886	1.8
183.04472	3.2
185.02341	4.8
187.00374	2.6
187.03792	1.6
191.03391	1.8
198.03116	2.3
199.03957	4.5
201.01939	2.0
202.02690	1.7
203.03435	10.1
211.03931	1.7
213.05399	1.9
214.02643	1.7
215.03444	2.8
226.02658	4.5
227.03435	23.1
229.01326	3.0
229.08781	1.6
230.09244	1.3
241.04964	3.4
242.02156	2.6
243.03072	6.9
255.02815	3.0
256.03696	4.9
265.04730	2.2
270.01773	7.9
271.02438	23.9
272.03207	10.6
284.03384	10.4
285.04016	24.6
286.04266	1.5
297.03983	5.0
299.01965	89.3
300.02704	72.5
300.07898	1.9
301.03497	59.7
302.03906	5.6
308.72055	1.5
312.02734	2.0
313.03552	100.0
314.04279	82.6
315.05038	62.2
316.05386	6.4
405.05978	1.6
426.12460	1.5
448.08160	2.8
463.10312	80.9
464.10678	15.5
507.10352	2.5
507.28268	4.8
507.35391	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	507.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47208	0.5
54.88995	0.4
57.03320	0.4
57.83985	0.4
59.01250	3.4
61.98697	0.5
65.00189	0.7
69.66021	2.0
71.01253	4.9
73.02805	1.3
78.95780	1.1
83.01260	0.9
85.02811	2.1
89.02316	1.6
95.01253	0.4
99.00738	0.5
101.02322	3.7
107.01252	1.4
109.95329	0.4
110.71499	0.4
113.02341	2.2
119.04922	0.7
121.02818	0.5
125.02325	0.9
133.02872	1.0
135.04384	0.7
137.02353	1.1
147.04463	0.4
149.02344	3.2
151.00266	4.5
161.02367	5.9
161.04504	1.5
177.01845	0.6
183.04398	1.6
185.02356	1.5
186.50836	0.4
187.00345	0.6
191.03432	1.0
199.03918	1.5
201.02007	0.6
203.03418	1.8
203.46523	0.5
209.05913	0.5
211.03810	0.6
215.03502	1.1
225.24513	0.4
227.03404	5.1
228.03909	0.6
229.01218	0.6
229.08592	0.5
230.09348	0.6
237.05406	0.7
239.03488	0.7
243.02972	1.6
255.02925	1.5
256.03729	4.9
257.04221	0.9
267.02957	0.5
269.04666	0.6
269.98657	0.5
271.02448	7.2
272.03198	9.0
272.67566	0.4
273.03833	0.6
283.02414	1.3
284.03253	9.4
285.03879	2.4
297.03992	2.8
299.01944	17.4
299.05362	0.9
300.02722	44.4
301.03482	48.6
302.03802	4.6
311.02029	1.4
312.02701	3.5
313.03500	5.4
314.04279	6.0
315.05084	16.3
316.05432	1.6
343.06110	0.8
345.30209	0.5
361.07007	0.6
377.06540	0.5
377.41949	0.5
387.05054	0.8
388.05951	0.6
389.06693	1.4
390.03638	0.6
405.06192	2.2
419.07578	0.6
433.05673	1.1
448.07922	6.6
449.08420	1.4
463.10330	100.0
464.04059	0.9
464.10626	17.1
507.35410	6.0
526.28418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36789	0.8
59.01249	22.7
61.98702	100.0
65.00222	1.1
69.03316	0.9
71.01252	13.5
72.99179	0.9
73.02817	12.4
83.01243	4.7
85.02827	4.0
89.02329	4.5
94.85084	0.8
95.01247	1.2
98.20592	1.7
99.00745	1.2
101.02311	15.5
107.01297	1.6
112.13706	0.7
113.02316	6.6
118.97975	3.2
119.03395	2.0
119.04901	0.8
125.02333	1.6
131.03387	1.6
133.02838	1.5
134.03619	2.6
135.04433	1.5
137.02306	1.3
137.05110	1.1
143.03351	1.2
149.02304	1.7
149.04503	2.4
149.06018	1.4
151.00233	3.3
160.01566	3.3
161.02348	11.4
161.04478	4.0
169.44568	0.9
175.03917	2.4
179.03258	1.2
183.04431	1.6
185.02342	2.2
186.09990	0.9
187.00269	1.5
191.03354	1.5
198.03136	1.2
199.03954	1.8
201.01871	1.0
202.02711	1.2
203.03436	5.1
203.51865	0.8
211.13283	1.1
214.02571	1.1
215.03438	1.9
221.06673	0.8
224.13374	0.9
226.02560	1.7
227.03456	10.2
229.01263	1.9
229.08527	1.1
242.02054	1.3
243.02965	3.5
255.03027	1.9
256.03683	3.6
270.01691	5.1
271.02472	12.7
272.03259	4.9
284.03302	5.1
285.04028	11.1
297.04037	2.4
299.01944	47.8
300.02734	33.9
300.06155	1.8
301.03519	26.8
312.02914	1.5
313.03516	52.0
314.04306	34.1
315.05124	27.9
315.07867	0.6
405.05988	1.5
428.25555	0.9
448.07938	1.7
463.10358	45.5
507.09744	1.1
507.22635	2.4
507.35297	6.2
520.85138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03330	5.0
59.01244	10.2
61.98689	4.1
64.24461	1.0
67.01747	1.2
68.99676	2.4
69.03320	3.9
71.00894	1.8
71.01257	21.3
72.99164	3.8
73.02813	1.7
75.00751	12.2
78.95761	2.3
83.01262	5.5
85.02822	19.5
87.00746	6.2
89.02312	3.0
91.03873	2.5
94.83335	1.0
95.01263	6.5
96.95868	2.6
99.00755	17.1
101.02273	1.1
103.00201	1.4
111.00751	3.8
112.01566	1.7
113.02327	27.3
127.04036	1.0
129.01762	1.2
131.03384	3.8
144.05760	1.0
152.99496	1.9
157.01355	3.6
192.27676	0.9
201.25972	0.9
205.07111	2.8
222.92114	1.0
249.06151	25.5
250.06474	2.1
255.23259	100.0
256.23602	8.9
264.86261	1.0
267.07245	6.2
357.29089	1.3
487.28909	1.1
505.30173	84.8
506.30463	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01253	20.3
61.98699	2.2
71.01245	3.3
71.53020	0.9
73.02811	0.7
78.95747	0.8
85.02820	1.6
87.00735	0.7
89.02300	1.7
92.81939	0.6
99.00742	0.8
101.02326	2.9
113.02329	2.2
117.03301	1.2
119.03395	0.7
119.04920	2.2
121.02840	0.6
128.58568	0.6
131.56337	0.6
145.02846	1.8
161.04472	1.2
163.03877	2.2
197.32152	0.7
209.11765	100.0
210.12100	9.5
235.08160	2.4
253.09267	10.0
314.04184	0.9
505.18573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.23586	0.4
59.01239	1.6
66.80614	0.5
70.55004	0.9
78.95773	28.2
83.04880	0.7
93.24474	0.4
96.96845	2.5
152.99490	44.3
153.99788	0.5
161.00845	0.4
171.00568	2.4
172.32771	0.6
195.02663	0.4
227.03192	7.2
233.22821	0.6
235.86971	0.5
245.04274	1.5
277.21704	100.0
278.22040	13.9
405.48053	0.5
413.20892	0.9
505.25708	64.5
506.25998	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	505.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.1
70.02160	1.0
77.03857	0.2
79.93528	0.2
81.13480	0.2
120.88396	0.2
121.02842	100.0
122.03178	3.6
173.02432	0.2
180.05757	0.7
181.06499	3.4
182.06792	0.4
197.06010	3.2
207.04483	1.2
207.07996	0.2
222.59061	0.3
223.03958	0.4
225.05496	2.1
226.05972	0.3
257.09744	0.8
263.79163	0.2
269.08270	0.3
285.09296	0.3
295.06351	0.3
301.32269	0.3
313.07169	5.4
314.07605	0.7
339.33444	0.2
347.95258	0.3
357.06207	1.0
373.10913	0.4
383.07727	1.2
417.09796	9.6
418.10077	1.4
496.02087	0.3
505.11130	7.2
506.11398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Tricin 7-glucuronide
Peak:m/z	Relative Intensity
57.03304	0.2
59.01245	0.8
63.02262	0.6
65.00188	1.1
69.28135	1.0
71.01245	0.2
71.26138	0.1
83.01254	1.1
85.02840	0.2
89.02360	0.1
91.01754	0.3
93.03301	0.1
95.01237	0.1
101.02332	0.2
107.01267	2.5
108.02054	1.5
109.02837	1.6
111.00767	0.2
113.02334	0.2
119.01259	0.3
121.02841	1.5
123.00794	0.2
124.01504	0.4
125.02340	1.9
133.02812	0.2
135.00757	0.9
137.02319	0.2
139.03899	0.2
145.02826	0.4
147.00735	0.3
148.01569	1.7
149.02328	0.6
151.00266	9.5
152.00652	0.5
153.01851	1.3
159.04411	0.2
161.02399	0.3
163.00279	2.2
163.03940	0.2
164.01068	0.6
167.04921	0.2
169.01408	0.7
169.02715	0.2
171.04391	0.3
173.06075	0.2
174.03072	0.2
175.03893	0.3
178.99768	5.4
180.00143	0.3
183.04449	0.4
185.02304	0.2
187.03918	0.5
189.01854	0.1
190.02547	0.3
190.99779	0.3
192.00497	0.4
193.01283	0.2
198.03125	0.5
199.03954	1.0
200.04674	0.1
201.01894	0.2
201.05511	0.4
202.02625	0.1
203.03447	0.6
211.03935	1.2
213.01854	0.2
213.05542	0.2
214.02612	0.2
215.03476	0.9
216.04173	0.5
219.22127	0.1
226.02686	1.7
227.03418	3.6
228.03944	0.3
229.01288	0.3
229.04958	0.7
230.01991	0.1
239.03383	0.4
243.02959	10.6
244.03342	1.3
245.04509	1.2
254.02180	2.6
255.02956	25.2
256.03369	2.5
260.09695	0.2
266.02032	0.2
269.04483	0.1
271.02460	55.9
272.02881	6.2
273.03967	1.0
283.02423	1.4
284.03110	0.3
285.03943	0.3
295.40988	0.1
299.01941	1.3
299.05612	0.5
300.02725	100.0
301.03427	51.0
302.03860	3.7
302.07266	0.3
313.03259	0.2
343.04419	0.7
374.25409	0.1
433.11386	0.2
445.07770	0.3
461.10864	0.2
463.08783	3.7
464.09158	0.5
505.09845	70.4
506.10162	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
55.33483	0.2
57.03325	3.1
58.00461	0.6
59.01250	10.8
63.02290	0.3
65.00221	0.4
67.01759	0.5
68.99693	0.7
69.70332	0.2
70.87109	0.5
71.01254	12.0
71.48957	0.2
72.01595	0.3
72.99184	2.0
73.02813	1.1
74.98935	0.2
75.00750	6.1
80.16167	0.2
83.01250	1.2
84.02048	0.2
85.02823	22.3
86.03152	0.7
87.00755	3.9
89.02313	2.0
95.01267	7.2
99.00760	9.4
100.01059	0.2
101.02332	0.7
103.00256	3.5
103.92516	0.2
107.01301	0.7
109.02845	0.3
109.67684	0.2
111.00758	0.8
112.34994	0.2
113.02332	41.6
114.02688	1.6
115.00256	2.0
117.01823	3.0
119.04897	0.2
121.02843	0.6
125.02338	1.9
129.01822	2.1
133.01382	0.3
133.02863	0.3
135.04404	0.4
139.00272	0.7
141.10617	0.2
145.02795	0.3
151.00272	1.6
153.01826	0.8
157.01326	1.0
161.02345	0.8
174.03081	0.3
175.02402	10.4
175.03847	0.5
176.02737	0.4
183.04417	0.4
185.02322	0.3
199.03970	0.4
203.03432	0.3
227.03474	1.6
243.02948	0.9
255.02995	0.5
268.03754	1.0
271.02472	37.7
272.02802	3.6
284.03311	0.5
285.04013	2.5
286.04373	0.4
297.04062	0.8
299.01968	55.7
300.02411	6.8
301.03506	2.7
313.03540	4.9
314.04312	40.2
315.04660	3.9
325.03674	0.3
328.05951	0.3
329.06659	100.0
330.06989	11.4
343.11725	0.3
353.13394	0.2
371.07852	0.9
375.64490	0.2
399.06329	0.2
401.08453	0.3
433.11264	0.4
505.09854	8.9
506.10205	1.4
533.26978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93467	2.9
57.74309	3.6
59.01251	7.6
71.49449	5.3
85.02806	4.5
101.02322	4.2
109.02858	9.4
121.02847	6.3
123.04382	9.8
124.49622	3.2
125.02324	14.2
133.02844	22.7
135.04408	4.3
135.06184	3.4
137.02379	6.7
138.05438	5.8
149.02347	9.1
151.00229	8.2
151.03886	11.6
161.02322	7.6
163.00252	6.4
163.03923	5.9
165.01837	13.3
167.03368	13.4
175.03903	3.9
177.01820	5.4
178.99741	3.4
179.03438	34.3
189.01768	3.6
190.04999	6.2
193.01414	11.3
198.01878	4.3
206.04517	23.7
216.02744	3.4
223.02286	5.2
225.05559	4.1
235.02306	4.4
269.04382	5.5
285.04129	8.9
291.81723	3.2
297.04053	14.8
298.04810	21.3
299.05566	14.2
311.02063	4.3
311.05310	6.9
313.03412	28.8
325.03397	4.4
326.04672	8.0
326.08804	31.4
327.05103	13.3
327.08820	3.7
339.05115	9.5
342.06384	6.8
343.04529	22.6
354.05939	3.9
357.05988	4.7
366.06119	30.8
367.06366	4.0
384.07300	100.0
385.07523	11.8
396.07309	9.7
414.08231	12.0
446.08493	9.2
463.08707	4.7
486.10239	13.3
504.11401	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.3
59.01250	100.0
69.51035	13.9
69.51443	5.7
71.01241	17.5
71.65220	2.6
73.02814	6.4
75.00738	4.1
77.75079	2.5
85.02794	16.7
87.00758	4.4
88.44920	3.5
88.90412	2.8
89.02316	6.2
93.03322	3.0
94.68809	2.7
99.00758	3.7
101.02312	9.1
109.02832	7.5
113.02319	12.3
116.70842	3.4
131.52216	2.6
133.02881	4.2
135.04369	7.7
135.83005	3.1
137.02350	5.4
145.02776	2.8
161.02408	3.8
161.04428	5.3
193.24486	3.2
195.04539	2.7
199.03865	3.7
249.06070	2.9
260.14487	2.9
285.03964	4.0
298.04535	3.4
299.05447	4.3
311.05634	4.2
341.06573	12.5
371.14981	2.8
399.23843	9.5
417.24799	5.4
503.12958	6.3
503.21091	9.0
504.12436	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	503.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90821	2.2
54.60905	2.3
59.01238	8.0
69.26991	15.0
71.01236	3.0
79.95609	54.0
80.96359	3.0
85.02840	4.5
96.95879	10.5
121.02856	17.4
123.00770	12.0
129.33546	2.3
135.04420	3.8
137.02322	12.4
138.03139	6.9
153.05478	14.4
161.02321	4.7
165.00497	5.3
165.01848	100.0
166.02336	3.8
166.99739	13.7
167.97694	2.4
173.06259	2.5
179.03412	20.9
180.04207	77.5
181.04788	6.1
182.02147	44.2
183.02530	3.1
183.35689	2.5
194.05701	5.0
195.02927	4.7
195.06566	93.5
196.06956	5.7
197.04488	85.3
202.96542	2.4
210.05322	19.8
211.06015	3.1
216.45192	2.5
221.62582	2.4
225.07646	51.5
226.07790	2.9
233.01216	11.5
275.02252	4.9
305.03354	8.1
375.10846	8.1
423.12973	28.2
424.13220	5.8
428.07941	2.9
503.08630	85.9
504.09009	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	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.1
69.36067	0.3
69.36470	0.1
71.01237	0.3
74.08549	0.1
78.95773	7.1
83.04890	0.2
84.03934	0.1
96.96822	0.1
97.06444	0.1
99.04365	0.1
113.05959	0.1
127.07519	0.2
141.09128	0.1
152.99461	0.6
168.04214	1.9
169.04579	0.1
171.00554	0.1
177.44241	0.1
205.19508	0.1
213.05559	0.1
215.07018	0.1
224.06883	1.4
233.22699	0.3
242.07961	3.2
243.08348	0.1
257.04501	0.1
259.20584	0.4
275.20187	0.3
277.21698	100.0
278.22034	10.4
433.07230	0.1
502.29376	7.0
503.29691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96493	0.1
55.01752	0.1
57.76347	0.1
59.01244	1.2
61.98674	0.1
62.96264	0.1
70.49850	0.1
71.01244	0.5
78.95775	27.5
83.04898	0.2
85.89169	0.1
92.16538	0.1
96.96831	0.4
97.06471	0.1
98.19781	0.3
99.04438	0.1
122.98420	0.3
127.07536	0.2
134.98384	0.2
141.09166	0.1
152.99492	3.4
168.04222	4.3
194.05782	0.2
205.19522	0.1
213.05630	0.1
224.06885	11.5
225.07286	0.5
231.21103	0.1
233.22708	0.4
242.07941	3.0
243.08386	0.1
245.04280	0.1
259.20609	0.5
275.20139	0.5
276.20447	0.1
277.21710	100.0
278.22046	10.7
413.20734	0.2
467.85172	0.1
502.29395	24.1
503.13431	0.3
503.29712	4.1
505.58823	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	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20534	1.1
59.01243	3.9
61.98701	100.0
67.12605	1.1
71.53144	1.9
74.64071	1.1
78.95776	1.8
103.18689	1.3
111.61730	1.2
124.21761	1.3
152.99504	2.3
158.65350	1.2
170.57289	1.2
182.99669	1.3
230.66621	1.4
277.21729	7.5
305.24924	3.6
418.55923	1.8
502.11978	1.4
502.25497	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72413	0.4
57.03319	0.5
59.01249	100.0
60.01585	1.5
68.04392	0.6
71.01249	3.1
71.52484	0.5
73.02818	3.5
79.75735	0.4
80.52493	0.4
83.01275	1.2
84.27503	0.5
85.02844	0.8
86.21855	0.4
89.02283	0.5
90.67120	0.4
95.27719	0.4
101.02322	4.7
111.00772	0.7
113.02358	1.7
119.04918	0.5
119.23772	0.4
161.04474	1.3
265.55011	0.5
339.81342	0.5
501.30963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23395	2.0
58.00445	2.5
59.01249	100.0
62.21159	1.8
66.44595	2.0
69.20200	16.5
71.01254	28.7
72.99171	2.6
73.02821	21.3
83.01257	7.0
85.02837	11.8
87.74564	2.3
89.02319	10.3
95.91422	2.0
97.02845	2.5
98.19746	3.9
98.35384	2.0
99.00769	3.1
101.02321	18.8
113.02344	12.2
119.03407	4.4
119.04912	16.6
120.08101	5.1
121.02836	7.2
125.02361	3.4
128.03447	2.8
132.02025	2.3
134.03625	2.0
134.06001	2.8
137.02336	4.4
139.20496	1.9
143.03394	3.2
149.02330	2.6
160.01593	3.3
161.02463	3.3
161.04456	6.6
163.03926	5.6
164.07092	6.3
175.03954	5.0
189.44507	2.1
323.07645	3.9
337.09036	4.3
409.45938	2.4
433.34482	2.3
501.13077	2.1
501.31729	2.6
503.21899	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	500.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	3.5
59.00979	2.2
59.01248	17.2
61.98690	3.2
63.90993	1.4
69.03300	2.0
69.60756	3.3
69.61168	6.9
71.01241	5.4
75.00726	1.8
78.57141	1.6
79.95584	2.4
80.96365	3.5
83.01244	2.5
85.02819	27.0
86.03153	2.6
87.00733	1.8
87.20885	1.4
89.02312	1.9
89.74653	1.5
93.23315	1.7
100.03911	3.2
101.02314	4.2
102.05486	17.5
108.02002	3.1
109.02858	2.1
118.97765	1.5
121.02811	4.5
123.04404	3.8
125.02319	5.9
128.03426	97.7
129.01788	5.4
129.03735	3.7
134.03590	3.2
135.04401	3.1
137.02328	3.0
145.02835	2.9
146.04500	52.4
147.02899	2.2
147.04393	11.7
148.05219	12.4
149.02339	2.4
150.03082	2.6
159.04376	2.0
160.05147	2.0
162.03148	2.3
165.01895	1.6
165.05368	1.8
167.03340	6.5
169.52556	1.4
172.02448	31.6
173.02444	2.5
174.03131	8.1
175.03911	1.8
176.04773	8.2
180.04091	2.2
188.04626	3.4
191.01839	3.9
191.05484	2.5
191.07069	25.8
191.91273	1.6
192.07416	1.7
193.04955	2.7
194.05756	5.0
195.08125	2.8
202.02643	3.5
206.02209	1.5
207.08124	3.1
209.06064	2.1
211.07521	2.0
215.03433	4.5
217.04878	1.6
220.03731	1.9
221.05977	3.2
223.07603	4.4
224.08057	1.7
225.05412	2.3
229.04944	2.6
233.06003	1.8
235.07549	2.7
237.05455	4.5
238.06116	2.7
239.07065	11.6
240.07426	2.6
249.05515	6.9
250.06328	3.9
251.07118	20.9
252.07462	4.2
262.06235	3.0
263.07199	7.3
264.07791	4.2
265.04965	4.3
266.05835	2.6
267.06619	80.9
268.07010	10.9
269.08093	1.9
277.05005	3.7
277.08710	2.1
278.05771	4.1
278.09421	3.4
279.06638	51.2
280.07141	10.2
281.08075	4.1
282.08994	51.4
283.09546	8.3
285.03952	1.7
289.05060	2.0
293.04660	4.0
293.08109	8.0
294.05634	2.0
294.08975	36.1
295.06262	3.2
295.09534	7.4
297.11313	41.9
298.11563	4.5
304.07248	3.7
305.04507	4.7
306.05191	3.3
307.06033	2.0
308.06763	4.9
309.07574	5.9
309.11389	6.3
310.07507	3.4
320.06573	3.3
321.07660	7.1
322.07718	4.3
323.05502	5.4
323.09167	24.4
324.09247	2.5
326.07407	1.9
327.12408	15.6
328.12741	2.2
335.09131	9.9
336.08826	3.2
336.12482	2.9
338.07779	6.8
339.08484	2.0
341.10251	15.4
342.10464	2.0
352.11676	6.7
353.10287	100.0
354.10626	14.4
362.10373	2.6
364.11832	3.4
365.12653	2.5
366.13538	2.0
367.14069	2.2
371.11282	5.9
380.14896	3.2
392.14993	2.4
406.12894	5.1
420.14368	2.6
423.13083	7.8
426.15457	4.9
438.15643	23.1
439.15515	2.4
450.11755	2.3
452.13312	4.5
456.16745	2.2
464.13489	10.7
465.13818	2.6
470.14551	34.9
471.14822	5.6
482.14536	36.1
483.14938	6.1
500.15549	96.0
501.15787	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	500.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13328	1.3
57.03321	1.8
59.01265	6.6
60.83865	1.2
65.43166	1.3
71.01244	2.0
72.53022	1.1
77.09504	1.2
82.02856	2.5
83.01234	1.7
85.02827	11.7
96.95882	1.4
98.19788	4.4
100.03909	2.2
101.02325	2.9
102.05493	32.6
103.05849	1.3
108.02081	3.2
121.02842	3.7
121.50932	1.2
123.04356	1.8
128.03430	100.0
129.01830	5.1
129.03787	2.6
133.02888	1.5
135.04439	3.1
145.02805	2.4
146.04506	66.9
147.03033	2.5
147.04472	9.3
147.20349	1.1
148.05220	9.6
150.03125	1.4
151.00177	1.3
161.06061	1.3
162.03162	2.1
162.06819	2.5
172.02420	24.6
173.02434	2.7
174.03174	6.8
175.03969	2.2
176.04732	5.4
180.04265	1.9
188.04660	2.0
191.01971	3.2
191.07089	18.0
192.07474	1.4
194.05788	4.0
202.02615	2.6
204.62616	1.3
211.07576	2.1
215.03535	1.6
215.07042	1.5
221.06125	1.4
223.07697	2.6
229.05099	2.4
235.07454	1.6
237.05568	4.7
239.07118	9.0
249.05580	4.2
250.06393	1.8
251.07216	6.0
252.07565	2.0
261.05420	1.4
263.07040	3.1
264.07980	1.4
265.05127	5.7
265.08597	1.5
267.06610	57.2
268.07086	8.2
277.05273	2.5
277.08673	1.4
279.06677	18.0
280.07330	6.4
282.08997	31.3
283.09622	5.4
291.06793	1.5
292.07196	2.1
293.04663	5.2
293.08273	3.8
294.05548	2.5
294.08899	12.3
295.06488	1.3
295.09766	3.1
297.11322	30.4
298.11725	4.3
306.05283	2.9
307.06091	2.4
308.06943	8.0
308.10132	1.9
309.07645	3.4
309.11276	2.4
320.06845	1.9
321.07751	4.1
323.05554	1.7
323.09204	34.7
324.05429	2.1
324.09631	4.6
327.12390	7.3
335.09125	3.1
336.09070	2.2
338.07938	1.7
339.08698	1.7
341.10229	13.3
342.10541	2.2
352.11938	2.9
353.10284	41.3
354.10678	5.0
363.11475	1.5
371.11505	6.3
423.12943	2.7
426.15695	3.8
438.15607	6.7
452.13745	6.4
464.13458	4.8
470.14566	68.1
471.14722	10.4
482.14496	19.4
483.14713	2.4
500.08279	3.1
500.15674	64.6
501.15921	9.8
521.30414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.44231	1.3
61.82754	1.1
74.33035	1.1
76.64949	1.0
77.58263	1.0
81.87651	1.1
87.63880	1.1
91.03880	2.3
113.25101	1.1
315.83771	1.4
365.27017	9.0
366.27246	1.9
416.75244	1.3
445.06976	1.4
454.55539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.6
57.46199	0.4
59.01264	2.5
63.02269	1.3
65.00203	1.3
69.31140	3.4
71.01250	2.5
72.99175	0.7
75.00755	0.9
77.43586	0.4
78.64510	0.4
83.01273	1.0
85.02819	3.2
87.00762	1.0
93.03350	1.4
95.01241	1.3
98.20531	0.8
99.00762	0.9
103.00237	0.9
107.01280	3.8
109.02840	0.5
110.02355	1.0
113.02320	4.5
115.00238	0.6
125.02299	2.1
131.07359	0.5
133.02843	1.2
135.00838	0.5
137.02322	4.0
145.02827	1.3
147.04434	0.7
149.02347	0.6
151.00262	7.6
161.02344	1.8
163.03853	0.5
169.06473	0.5
172.03934	2.6
175.02402	1.1
185.06010	0.4
197.06044	0.5
199.04158	0.8
201.05537	0.7
209.06042	0.7
211.03929	0.8
214.03456	1.0
225.05513	1.0
227.03458	1.6
229.05020	1.9
238.04678	0.6
241.05011	2.2
242.02225	0.5
251.03494	0.8
253.05013	1.6
255.02936	1.4
256.03687	1.8
257.04523	5.8
269.04507	3.9
270.04953	0.7
279.03073	1.1
280.03711	0.7
282.01663	0.6
283.02420	1.0
284.03241	30.3
285.03964	13.7
286.04321	1.2
296.03485	0.5
297.04019	30.0
298.04456	3.3
306.03915	0.7
324.05112	100.0
325.05469	11.2
366.06085	1.4
396.07129	0.5
433.07666	1.0
446.90738	0.5
460.06522	0.6
473.07355	0.7
500.08344	18.3
501.08679	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	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45479	0.7
52.04120	1.0
52.58524	0.8
59.01248	100.0
71.01244	4.9
73.02841	1.0
85.02815	1.7
89.02337	2.0
94.57221	0.8
97.77171	0.8
101.02324	3.0
113.02310	7.0
119.03369	1.6
161.04404	2.5
271.22992	0.8
277.21707	79.3
278.22073	8.8
291.23337	2.9
319.22818	2.5
351.02771	0.8
365.22748	0.8
400.88489	0.9
471.30508	1.0
499.30750	2.2
504.03860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11044	0.5
59.01250	100.0
60.01604	0.6
64.96059	0.7
71.01244	4.4
71.04855	0.5
71.53224	0.7
72.01572	0.6
72.20037	0.6
73.02811	4.5
83.01277	1.7
85.02818	0.9
85.16408	0.6
89.02338	1.3
91.49108	0.6
101.02312	6.6
101.02798	0.5
113.02335	2.7
125.02323	0.6
127.03925	1.3
134.07452	0.5
139.07556	1.1
143.03432	0.7
149.04503	1.1
161.04491	1.4
246.35428	0.6
260.95288	0.6
384.34814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.2
55.91968	0.3
57.03327	2.3
57.10034	0.3
58.00471	0.4
59.01250	100.0
60.01598	1.1
61.98706	1.0
69.03312	2.2
69.28474	2.4
71.01252	18.3
72.01601	0.4
72.17557	0.3
72.99175	2.2
73.02820	3.2
75.00752	1.1
81.03333	1.7
83.01255	3.3
83.04921	0.5
84.02049	0.6
85.02821	26.4
85.66029	0.3
86.03193	0.5
87.00769	0.9
89.02316	6.3
93.03361	0.5
95.01279	1.1
95.04911	0.5
97.02823	3.3
99.00758	4.0
99.04420	0.4
101.02322	6.5
103.00269	0.6
109.02844	0.6
111.00759	2.2
111.04418	0.7
113.02325	5.4
115.03899	0.7
119.04909	0.3
121.02888	0.9
123.04431	0.6
125.02334	11.0
126.02680	0.7
127.00364	0.3
127.03983	0.3
129.01834	3.9
131.03395	4.1
131.16699	0.3
134.03659	0.7
135.04439	0.6
135.76199	0.3
137.02377	0.9
139.03914	1.2
141.01776	0.3
143.03389	1.5
147.02925	3.0
147.04416	0.7
148.05200	26.4
149.02361	0.4
149.04453	1.1
149.05605	1.6
161.02365	0.9
161.04495	0.8
163.03955	1.1
163.07558	16.7
164.07901	1.0
167.03383	0.4
173.04446	0.4
173.74274	0.3
175.03995	0.3
178.02658	0.7
179.03436	0.6
191.01897	5.2
191.03583	0.4
191.05489	1.6
197.04584	0.3
203.05626	0.3
205.03343	0.6
215.05566	0.7
233.06529	2.6
251.09229	0.5
275.07721	23.9
276.08032	1.6
277.10501	0.4
279.12375	0.3
279.33191	0.3
279.37088	0.3
280.74344	0.3
293.08789	6.0
295.15170	0.5
335.09863	2.2
336.10474	0.3
407.14392	0.3
479.17734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52594	0.5
61.98700	100.0
71.39594	1.2
82.16163	0.5
97.12498	0.6
102.06606	0.6
103.44967	0.5
117.79279	0.5
133.02878	1.3
134.03616	1.2
135.04408	5.3
137.02403	1.1
161.02353	3.4
179.03412	2.9
243.76074	0.6
435.27496	18.1
435.33438	1.1
436.27960	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	499.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61140	0.2
59.01250	1.4
63.25030	0.3
69.81595	1.3
71.01245	0.3
78.41089	0.2
78.95768	0.9
79.01759	0.3
83.13290	0.2
93.03323	1.2
105.03315	0.6
107.01262	0.5
109.02757	0.3
109.06457	0.4
117.02551	0.5
117.03344	6.4
119.04937	0.3
127.37469	0.3
128.52870	0.2
133.02885	0.3
133.06483	0.5
135.04445	1.5
148.01544	0.3
152.99474	1.3
155.08618	0.4
159.04463	0.6
161.02368	1.4
162.03102	0.3
173.09634	0.8
175.03842	0.5
177.01793	0.2
183.04442	0.4
187.03871	0.3
187.07631	0.5
189.01903	0.4
189.09074	0.5
193.08672	0.3
203.03435	0.5
203.10718	0.3
217.08633	2.3
223.07587	0.5
224.08281	0.7
225.05563	0.6
227.10715	0.3
229.08636	1.2
231.06619	0.4
231.10298	0.8
237.05443	0.4
239.07076	0.3
241.08574	0.4
243.10170	0.3
253.05202	0.3
254.05786	0.6
259.09647	1.5
267.06580	0.8
268.07416	1.8
271.09750	0.4
280.03693	0.4
281.04404	1.1
282.05267	2.2
283.06006	0.5
291.10425	0.3
293.04550	2.4
294.05243	0.4
295.06168	2.9
296.06888	4.1
297.07449	0.5
306.05206	0.3
307.06088	6.1
308.06570	1.0
314.04382	0.2
319.06204	0.4
319.09610	0.3
323.05615	0.8
324.06253	0.4
328.05878	5.8
329.06216	0.8
335.05441	0.9
335.09262	0.8
335.12897	0.7
336.09750	0.6
337.10791	1.3
338.11121	0.5
349.10751	2.5
350.11392	0.5
351.12354	26.1
352.12665	3.4
361.10715	3.2
362.10931	0.4
363.12390	0.6
377.10263	0.8
379.11847	100.0
380.12180	15.2
382.10770	0.6
391.11816	2.5
392.12375	0.4
409.12955	5.9
410.13165	1.0
421.12891	0.5
499.16107	58.3
500.16467	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	498.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42400	0.5
57.93134	0.6
59.01245	1.5
61.98703	100.0
70.58381	1.4
87.61327	0.6
92.08688	0.6
135.04443	2.7
161.02347	1.2
168.67644	0.5
206.38181	0.6
238.86903	0.5
259.49228	0.6
435.27502	7.0
436.27625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
65.00237	1.0
66.67196	0.7
70.93252	1.4
71.01237	1.2
78.95755	1.6
79.95606	100.0
80.96397	1.9
83.01275	1.2
85.02826	2.9
85.82787	0.8
93.03350	0.8
95.01260	1.1
96.95889	5.6
99.00730	1.0
101.02315	1.0
103.41324	0.7
107.01292	0.9
108.02036	1.0
109.02832	2.8
111.00732	0.8
113.02292	0.7
121.02829	1.2
122.77490	0.7
123.00759	2.4
123.04430	0.9
124.01560	1.0
125.02343	3.8
135.04393	1.2
137.02335	13.5
139.00273	1.2
139.03923	1.3
149.02374	1.8
151.00270	21.4
151.03914	2.3
152.00961	2.4
152.04681	2.8
152.99496	1.1
153.01842	1.7
161.02356	0.8
164.04776	0.8
165.01833	1.9
166.02625	71.1
167.03334	6.4
175.03928	2.0
176.04529	0.7
177.01877	5.1
177.05424	0.8
178.82062	0.7
179.03407	1.5
181.04982	91.4
182.05333	6.6
184.03601	0.8
186.15851	0.8
189.05487	0.8
190.02556	1.1
190.06343	0.8
191.03409	1.1
192.04120	1.1
193.05009	2.1
195.02919	1.2
205.04965	1.4
205.08690	1.8
206.05815	0.7
207.06587	1.9
209.04498	0.9
219.06566	1.0
231.06595	0.7
247.05798	0.8
296.80142	0.7
329.10080	0.8
349.20181	0.7
359.11444	2.3
384.06793	0.8
387.10840	18.7
388.11072	2.8
402.13208	8.6
417.15530	53.4
418.15759	6.6
482.08524	0.9
497.11224	94.1
498.11636	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	496.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54338	0.4
59.01241	2.7
61.98701	100.0
67.05833	0.4
69.26685	2.2
69.27116	1.6
71.01266	1.6
78.95779	0.5
85.02835	0.5
88.88912	0.5
89.02321	1.3
101.02315	1.3
116.01740	0.5
121.39114	0.5
225.22194	2.6
255.57504	0.5
265.18393	0.6
271.22754	4.4
433.28067	16.0
434.28665	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	497.094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20220	12.6
59.01251	31.3
65.00169	18.6
67.01763	11.5
68.39759	10.0
69.03302	21.8
71.01254	18.5
75.21770	12.5
75.62321	11.5
81.03323	22.4
81.17556	10.7
82.85368	13.4
83.01240	17.1
85.02814	31.2
93.03295	24.5
94.02071	10.3
95.01266	12.3
95.04879	20.1
97.02815	45.7
99.00739	57.6
101.02319	17.8
107.01305	16.0
109.02834	82.5
111.00760	40.0
113.02309	22.2
121.02829	34.8
123.00770	17.9
123.04396	30.4
125.02348	100.0
133.02838	48.1
135.04428	16.8
135.05463	10.6
137.02374	65.8
138.97183	11.2
139.00212	20.5
139.03966	18.7
141.01804	38.1
145.02827	16.8
147.04416	16.5
149.02254	55.4
151.00256	40.4
151.03917	31.6
153.01845	71.3
159.21649	12.9
161.02240	18.3
161.39125	11.7
163.00287	35.4
163.03934	16.7
165.01819	50.9
167.03395	73.3
169.01219	17.7
175.03900	14.3
176.01054	11.6
177.01852	39.7
178.99724	20.8
179.03404	27.0
181.01352	46.3
183.02942	56.3
184.64392	10.5
189.01817	21.5
191.03391	14.4
193.01352	74.4
195.02916	27.8
203.03442	22.0
205.01309	27.6
207.02925	23.1
209.00835	41.2
211.02386	16.9
214.84308	12.5
217.01393	14.5
217.05026	17.2
221.00835	35.7
223.02486	29.4
226.59915	12.2
231.06798	15.3
235.02499	81.4
239.01741	14.5
251.01901	33.8
259.06036	23.5
261.06250	16.1
267.01434	29.8
269.04623	17.0
285.04239	14.0
286.04504	14.1
297.03952	33.3
303.07504	17.8
313.03479	49.5
315.05078	18.2
327.04984	25.8
343.04285	19.2
359.04053	61.0
361.07727	21.4
377.05173	69.6
378.05939	11.4
389.05499	17.1
394.64563	13.1
407.05737	14.6
445.07776	20.4
463.08493	13.0
479.08328	42.0
497.09457	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91524	1.7
71.53842	2.4
76.47567	2.0
78.95775	39.0
80.54900	1.9
96.96833	5.4
152.99487	56.5
160.49261	1.8
171.00500	16.6
173.07303	2.3
178.57333	2.1
227.03279	5.1
245.04280	100.0
246.04527	4.5
247.49112	1.8
267.23267	55.3
268.23611	7.2
281.24796	3.2
335.08746	2.5
383.54306	1.9
426.55701	2.0
438.22086	2.0
495.27155	28.0
496.27640	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	496.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56058	0.5
52.55884	0.5
55.52234	0.5
59.01234	1.3
61.98702	100.0
64.37729	0.5
69.22755	3.0
69.23161	1.1
78.62459	0.4
78.95768	1.7
83.50662	0.4
133.02867	2.0
134.03667	0.9
135.04402	5.9
137.02380	1.3
161.02327	5.4
179.03450	3.9
196.03743	0.6
196.18428	0.5
212.39926	0.5
214.19908	0.4
225.22211	1.2
245.04440	0.8
254.93567	0.6
269.21188	3.2
379.41098	0.5
433.25931	23.9
434.26306	4.1
476.48108	0.5
497.25290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0778
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
50.03872	1.8
50.57250	1.8
51.57252	2.1
52.57959	1.7
53.98657	1.7
59.01234	10.9
61.98676	5.5
63.02261	3.2
65.00166	7.3
68.99693	2.7
69.03326	2.1
69.49561	13.4
71.01237	6.6
79.95597	2.8
83.01239	3.3
85.02799	3.7
87.00735	2.8
89.02281	5.5
93.03319	3.8
95.01242	7.0
101.02281	3.9
106.00488	4.0
107.01241	4.3
109.02831	13.8
109.99942	2.6
111.00767	10.3
113.02316	4.5
120.99503	2.5
121.02785	3.7
123.00768	9.3
124.01495	4.4
124.98678	2.9
125.02359	10.1
133.02812	5.1
135.00755	3.0
136.98746	3.5
137.02301	2.6
139.00272	13.1
139.03920	3.4
141.01848	4.7
143.04913	3.7
145.02931	3.3
149.02356	10.1
149.99478	5.4
151.00273	27.6
151.03955	2.3
152.00940	5.0
152.84673	1.9
153.01854	10.1
153.98886	2.1
154.99782	4.8
159.04413	5.3
161.02325	9.0
161.06010	3.1
163.00180	2.9
163.03870	2.6
164.04507	3.0
164.98157	3.0
165.01791	4.2
166.99748	5.8
167.03424	3.4
168.00504	4.4
169.01303	4.1
169.02672	2.3
171.04366	5.1
173.02286	2.7
175.03957	10.6
177.01730	4.3
177.98987	7.1
178.99786	31.2
179.03294	5.0
180.00375	3.9
187.03885	9.1
189.01826	8.1
189.05473	2.3
190.02454	3.6
191.03384	3.8
192.00533	3.6
193.01292	5.6
194.99232	4.2
199.03908	7.7
201.01791	4.8
203.03404	9.9
204.03894	3.4
204.97722	2.3
205.01395	2.7
206.99287	3.9
207.02858	3.2
209.00687	3.6
213.01799	3.6
214.02493	2.6
215.03490	11.2
217.01273	3.5
217.04912	3.3
219.02939	5.7
220.03235	2.5
222.98718	3.1
223.06093	7.1
227.03377	4.6
229.01355	5.4
230.02193	5.1
231.02943	13.4
232.03708	17.2
233.04440	14.1
242.02162	3.9
243.03009	22.6
244.03290	3.4
245.00916	3.6
245.04486	4.6
247.02449	5.0
257.00839	4.5
258.01685	5.3
259.02524	12.2
260.03152	4.4
261.04016	6.9
271.02481	33.6
272.02783	4.8
285.04102	2.6
286.01132	7.5
286.98700	2.8
287.01953	54.3
288.02579	12.7
289.03375	10.2
297.00256	4.7
299.01929	35.4
300.02527	5.6
301.03528	2.7
301.07007	4.6
303.01495	5.2
304.02084	2.7
315.01456	100.0
316.01862	11.0
331.11807	3.0
332.01578	15.4
333.02475	18.9
374.64279	2.8
395.09769	10.7
423.09210	3.0
451.08691	2.5
451.32794	9.5
452.33026	4.3
462.07861	6.3
463.08499	2.7
477.06519	8.6
495.07751	90.1
496.08295	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	494.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67616	0.5
51.36797	0.5
56.24947	0.5
57.61444	0.5
59.01263	2.7
60.77619	0.5
61.98702	100.0
70.04080	1.7
71.01249	2.3
71.56017	0.5
78.95779	1.4
89.02336	1.7
101.02337	1.0
133.02850	0.6
135.04454	1.5
152.99525	3.4
161.02330	1.3
223.20557	0.6
247.09923	0.6
269.21249	6.0
320.29855	0.6
412.54764	0.7
431.26520	19.4
432.26898	3.4
513.37006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52150	0.5
55.00390	0.5
61.98700	100.0
64.75313	0.5
69.28371	0.4
69.28661	4.3
78.95773	0.7
98.20621	0.9
131.54190	0.5
133.02863	2.4
134.03650	1.9
135.04420	7.9
137.02367	1.5
152.99585	0.9
161.02350	7.3
179.03439	3.6
259.93765	0.5
320.69235	0.6
419.23578	0.5
429.94675	0.6
431.24316	27.9
432.24576	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	494.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45039	0.6
61.98701	100.0
69.28584	3.2
69.29000	1.5
82.79801	0.6
115.59089	0.5
133.02820	2.8
134.03661	1.9
135.04448	6.0
137.02391	1.5
161.02351	7.4
163.31750	0.6
169.78711	0.6
179.03401	4.1
203.09731	0.6
213.90025	0.6
431.24353	26.2
432.24835	5.4
459.04752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23230	0.9
55.01764	1.2
56.26428	0.9
57.03320	3.7
57.05639	1.1
58.00463	1.5
59.01251	100.0
60.80056	0.9
61.98706	5.1
62.66038	1.1
70.92887	2.7
71.01253	41.3
72.99179	4.9
73.02834	2.3
74.98973	13.9
75.00721	1.4
83.01263	2.8
85.02821	18.3
87.00760	4.1
89.02319	63.6
90.02676	1.9
93.03349	4.6
95.00158	1.1
95.01263	2.9
101.01697	1.8
101.02326	24.3
102.02653	0.9
107.14424	1.0
108.02055	1.3
109.02824	5.3
111.00764	1.6
112.02670	0.9
113.02330	20.6
114.02654	1.6
118.97975	2.3
119.03384	24.3
119.04790	1.2
120.99542	68.0
121.02848	5.7
121.99866	1.2
123.04414	2.1
125.02355	8.0
129.01840	5.3
131.03387	3.0
134.03590	1.1
135.04379	1.5
136.01559	1.5
136.99043	9.8
137.02371	9.0
138.02753	1.0
139.00264	1.7
141.01762	1.3
143.03416	8.7
146.03682	1.1
147.02905	1.2
149.02388	2.4
149.04434	3.1
149.99031	1.3
151.00299	2.8
151.03923	2.6
153.01810	1.9
153.05453	1.4
155.10663	1.7
160.05202	4.5
161.04478	9.4
163.00299	2.9
163.03795	1.0
164.01064	7.5
165.01846	3.6
167.03427	3.9
175.07635	1.6
177.01866	1.3
178.99820	1.2
179.05531	32.3
195.06555	1.8
197.04504	2.4
206.02161	1.2
208.03740	1.0
209.04538	2.1
215.03444	2.3
217.04955	1.5
241.04932	1.4
245.04422	1.4
257.04507	1.0
267.06644	6.3
271.02502	1.5
282.08939	4.2
285.04074	15.9
286.04471	2.1
293.12271	1.1
297.11353	4.9
301.03546	2.8
313.03513	23.6
314.03836	3.4
317.03113	2.6
327.12442	4.5
328.12863	1.1
330.03864	6.8
331.04495	1.4
331.08014	2.4
371.11368	5.9
372.11761	1.7
373.09375	2.1
374.09521	1.1
433.24176	5.3
435.42902	1.0
493.09915	14.8
493.19174	3.1
494.10403	2.1
508.66602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98497	2.5
59.01246	31.9
61.98702	11.0
65.00200	2.9
71.01250	10.8
71.08704	4.9
72.97418	5.1
72.99200	4.6
74.98986	3.5
75.00729	3.0
75.50498	2.8
76.38722	2.9
78.95780	4.9
79.01771	4.0
83.01259	3.8
85.02825	8.6
85.06448	22.0
88.86314	2.8
89.02319	5.7
97.02859	6.8
99.00784	2.8
101.02333	3.9
107.01242	3.3
108.02083	5.7
109.02818	11.0
109.06453	3.1
111.04433	7.1
113.02335	4.5
114.01842	19.3
118.98001	5.7
119.04892	4.8
120.99544	3.0
121.02850	8.5
123.00755	3.5
123.04381	6.9
125.02316	4.2
133.02856	14.5
135.04408	9.3
137.02354	7.3
139.03922	4.4
149.02341	10.4
151.00255	12.0
151.03944	6.3
152.04645	5.4
152.99512	4.6
153.01778	5.3
153.05476	100.0
161.02359	5.0
161.04367	3.2
163.03911	5.1
165.01851	7.6
165.33691	2.6
167.03365	3.8
175.03874	8.4
177.01889	4.9
177.05377	2.7
179.03445	21.9
180.04221	22.2
181.04933	10.2
191.03409	3.9
193.01404	6.2
193.05023	3.2
199.03880	3.4
199.57803	2.7
202.09932	5.8
203.03397	5.6
204.04175	16.9
205.04942	10.5
207.02953	13.2
208.00266	3.3
212.03127	4.5
217.12321	11.3
231.06505	6.2
255.02975	7.0
256.03891	16.1
259.09546	3.1
267.02802	4.3
268.06918	2.7
269.08224	3.1
274.04727	6.2
283.02765	4.1
284.03247	50.8
285.04013	75.9
286.04358	8.4
287.09241	11.9
289.07166	13.1
295.06317	5.0
303.08694	11.8
309.04144	8.4
312.06583	4.5
313.03857	5.6
313.07169	60.1
314.07669	5.2
325.03452	4.6
331.08221	19.1
332.08630	3.8
332.15146	15.4
387.04904	2.9
431.07767	9.5
432.04819	3.5
433.24332	4.4
447.07199	5.0
456.80789	2.9
465.14017	16.7
472.49164	3.0
475.12451	32.5
476.12610	6.4
493.13565	93.7
493.23526	4.1
493.30582	19.0
494.13449	17.3
494.20264	6.4
494.29944	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01733	0.9
57.03308	0.6
58.00470	1.8
59.01250	21.1
60.01588	0.4
61.98675	0.5
67.47945	0.3
70.92783	0.7
71.01249	13.8
72.99172	1.1
73.02811	1.4
83.01250	1.3
85.02814	3.0
87.00729	1.1
89.02312	10.1
95.01236	0.9
95.99135	0.4
97.06444	0.6
99.08030	8.0
100.08384	0.4
101.02319	10.1
106.92532	0.4
113.02335	4.3
113.09609	0.6
119.03387	3.2
119.04856	0.6
127.07516	1.3
129.09100	12.7
130.09459	0.6
131.03453	0.4
153.12755	5.8
154.13072	0.4
163.03960	0.8
181.12213	1.1
183.13844	1.1
195.13754	0.7
199.13301	2.4
264.76114	0.3
283.22784	0.6
289.36856	0.4
311.22174	2.4
313.23853	0.4
325.23935	0.6
327.21533	0.4
329.23303	28.4
330.23718	3.2
371.24316	0.4
371.29688	0.4
491.28595	100.0
492.28937	16.3
492.36157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03315	1.2
59.01250	33.5
59.63816	0.7
61.98688	2.0
71.01255	14.9
71.53335	0.6
72.99175	1.2
73.02819	4.4
81.03291	0.6
83.01251	2.7
85.02814	5.4
87.00752	4.8
89.02283	3.2
95.01257	0.8
97.02824	0.8
99.00788	1.3
99.08006	0.6
101.02332	7.2
112.01559	0.5
113.02339	3.7
118.97943	1.0
119.04914	2.5
120.99632	0.6
124.01574	1.0
125.02348	2.4
127.11173	0.8
127.70722	0.7
133.72476	0.6
143.10677	0.8
145.02856	0.9
147.70415	0.6
163.03946	3.3
178.90268	0.7
185.11758	1.6
241.21625	0.8
269.21161	4.5
285.04004	0.8
285.20706	0.8
287.22269	36.9
288.22635	3.0
299.22266	0.9
311.22461	0.7
315.05374	0.6
329.23315	3.7
431.26563	18.6
432.26834	2.3
449.27567	40.6
450.27887	5.9
460.66486	0.6
491.28625	100.0
492.28937	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54679	0.1
54.45916	0.1
55.01744	0.3
57.03308	0.1
58.00482	0.2
59.00950	0.2
59.01247	3.9
71.01250	3.9
71.52603	0.2
72.34023	0.1
72.77064	0.1
72.99167	0.3
73.02821	1.0
81.03284	0.1
82.29446	0.1
83.01285	0.6
84.13531	0.1
85.02817	1.0
86.96895	0.1
87.00749	0.5
89.02316	2.8
89.99474	0.1
91.03860	0.2
95.01257	0.3
97.02818	0.1
99.00746	0.3
100.24786	0.1
101.02319	3.6
103.03828	0.2
113.02327	1.4
115.03854	0.1
119.03380	0.9
125.02327	0.2
131.03394	0.1
133.04967	0.4
143.03380	0.3
145.04965	0.1
147.42380	0.1
157.04941	0.2
161.04453	1.4
179.05518	0.5
211.73622	0.1
235.08200	1.7
237.22185	0.1
253.09265	12.6
254.09607	0.8
255.23262	100.0
256.23599	9.5
372.51627	0.1
440.31125	0.1
491.31680	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	491.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90452	0.2
55.01770	0.4
57.29085	0.3
59.01249	4.0
61.21294	0.3
64.24812	0.2
69.65019	1.1
71.01256	3.4
72.99165	0.5
73.02810	0.7
83.01248	0.5
85.02834	0.9
87.00751	0.5
89.02315	2.6
95.01266	0.4
98.20574	0.3
101.02328	3.4
113.02319	1.6
119.03378	0.9
131.86946	0.2
133.04955	0.4
143.03404	0.4
161.04482	1.4
179.05553	0.3
235.08232	1.3
253.09268	10.7
254.09669	0.6
255.23277	100.0
256.23615	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	493.0624
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03308	1.9
59.01244	4.3
60.34541	0.6
63.02261	1.8
65.00190	5.2
67.01753	1.0
67.80841	0.4
68.27156	0.4
68.99693	0.8
69.03332	0.8
70.67075	0.5
70.67416	0.8
71.01251	4.8
72.39764	0.5
72.99171	1.3
75.00730	1.7
79.01757	0.4
81.03340	0.7
83.01248	5.0
85.02821	6.2
87.00746	1.2
89.02306	1.2
91.01740	0.7
93.03330	1.4
95.01258	4.9
97.02814	0.8
99.00761	2.3
101.02287	0.9
103.00201	0.6
107.01276	6.9
108.02093	0.6
109.02831	12.5
110.03176	0.6
111.00755	10.6
112.14729	0.4
113.02331	7.9
114.60347	0.4
115.00220	0.6
117.01787	1.0
119.01289	0.7
119.04921	0.8
121.02798	1.3
123.00752	1.8
123.04424	0.8
124.01541	1.3
124.23277	0.5
125.02336	14.5
126.02631	0.4
129.01759	0.5
132.02019	0.5
133.02846	5.8
135.00768	5.3
135.04404	2.0
136.98700	1.1
137.02364	5.2
139.00267	22.9
139.01363	1.1
140.00958	0.6
141.01797	0.6
141.28914	0.4
143.04922	0.7
145.06393	0.5
147.00729	0.6
147.04401	0.9
148.01466	0.5
149.02347	3.2
151.00270	21.7
151.03876	2.2
152.01109	3.2
153.00655	0.9
153.01842	12.3
154.02170	0.5
158.03679	0.5
159.04393	1.9
161.02332	2.6
161.06067	0.4
163.00279	27.8
163.03944	1.6
164.00842	2.1
164.98126	0.7
165.01849	6.1
166.99765	1.3
167.03384	0.6
169.01344	2.7
169.02655	0.6
171.04385	1.1
173.05978	1.3
174.03140	0.6
175.02382	2.3
175.03935	2.6
177.01849	7.4
177.05455	0.7
178.99777	18.6
180.00237	0.7
181.01343	22.1
182.01978	2.2
183.04440	1.0
185.02377	0.6
185.06087	0.7
187.03932	2.0
189.01826	1.3
189.05472	0.9
190.99773	9.9
191.03400	1.5
192.00531	1.1
193.01328	4.9
194.01711	0.6
199.03918	3.8
200.04295	0.6
201.01854	3.3
201.05505	1.6
202.02480	0.6
203.03444	4.6
205.01378	0.7
205.04979	1.8
206.01534	0.6
206.99277	9.9
207.02861	0.9
208.00011	4.1
209.00844	1.7
211.03912	3.0
213.01810	0.9
215.03433	1.9
217.01328	1.5
217.05008	3.6
219.02936	2.0
221.00868	0.7
227.03442	7.0
228.03935	0.7
229.01384	1.2
229.04961	2.4
230.02115	1.9
231.02965	5.9
232.03442	0.7
242.02142	1.3
243.02916	8.8
244.03329	0.6
245.04517	12.5
246.04807	1.1
249.03992	0.7
255.02956	7.3
256.03278	1.0
258.01678	1.1
259.02600	0.7
261.03946	1.0
271.02463	14.3
272.02908	1.3
273.01004	0.7
273.04041	14.1
274.04398	1.5
284.03342	0.7
285.03964	1.1
287.01660	0.5
288.02545	0.7
289.03540	6.4
290.03964	0.5
299.01947	24.5
300.02420	4.5
313.03372	0.6
314.04260	0.5
315.04929	0.6
316.01917	0.9
317.03000	100.0
318.03421	10.2
327.05563	0.6
330.03839	0.7
341.03006	0.7
357.04562	2.4
358.05350	1.6
359.03842	1.0
369.04285	0.7
373.05508	1.3
421.07913	0.5
433.24466	0.7
461.07217	0.8
475.05023	1.7
476.05713	0.7
493.05930	12.2
494.06610	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	493.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87733	0.7
54.01062	0.7
55.52480	0.6
57.14153	0.7
58.84249	0.7
59.01252	4.1
61.98709	1.5
63.02267	1.2
65.00187	1.5
89.02354	1.1
99.00720	0.7
107.01266	2.4
113.02326	1.4
118.59057	0.7
119.04913	7.8
125.02346	1.9
132.02058	1.3
133.02827	12.1
134.03198	0.7
145.02876	1.2
149.02341	3.3
150.60303	0.7
151.00270	11.0
152.99574	1.0
153.09097	0.8
161.02455	1.4
161.50392	0.9
163.03917	8.7
164.04616	0.8
171.10147	0.8
175.03949	3.0
179.07039	1.3
183.04349	0.8
197.06038	1.1
199.03888	3.1
200.04477	0.7
201.01830	1.0
209.11757	1.4
217.05133	1.8
227.03467	2.8
243.02969	1.7
243.19504	0.8
255.00272	1.5
255.02960	30.5
256.03717	34.5
257.04062	4.2
271.02225	0.8
281.04648	1.2
283.02460	53.9
284.03232	93.1
285.04001	100.0
286.04361	8.4
299.01874	2.4
299.05209	1.0
300.02722	2.7
301.03363	1.0
313.03607	2.6
314.04147	1.5
315.04956	2.4
326.04419	1.4
327.05231	1.2
330.23764	2.0
331.23724	0.8
463.10443	1.4
475.10318	3.3
492.29044	7.0
493.05035	1.2
493.11395	10.4
493.29147	5.7
494.11600	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	493.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.9
61.98697	1.2
63.02298	0.6
65.00192	2.0
66.76964	0.5
75.72172	0.5
83.01252	1.4
89.93616	0.5
107.01273	4.2
119.04896	1.0
121.02892	0.6
125.02343	0.6
132.02034	0.7
133.01848	0.9
133.02847	14.1
134.03168	0.7
145.02835	0.7
149.02306	2.7
149.05988	0.6
151.00247	8.3
152.00626	0.5
161.02371	1.2
163.03888	1.0
165.99765	0.5
175.03937	4.1
177.01826	0.6
178.28487	0.5
183.04454	1.0
199.03886	4.0
201.01923	1.2
209.11830	0.6
211.03941	0.9
213.05463	0.8
215.03616	0.6
217.05028	2.8
227.03464	2.7
241.05145	1.2
243.03015	1.6
255.02977	23.3
256.03735	26.3
257.04248	3.1
271.02527	0.9
281.04639	0.7
283.02475	42.6
284.03244	68.7
285.04022	100.0
286.04358	8.8
299.02054	1.5
300.02640	2.9
313.03577	2.3
314.04248	2.0
315.05042	1.9
326.04221	1.4
327.04944	1.1
358.03668	0.5
475.10315	1.8
493.11414	13.5
493.30231	1.0
494.11893	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01247	2.6
61.98698	0.5
71.01244	1.9
71.24888	0.6
75.00730	0.5
76.22421	0.3
85.02837	1.8
89.02290	0.6
93.03326	0.5
99.00787	0.4
99.51163	0.4
101.02309	0.5
108.78978	0.4
109.02829	6.0
109.03506	0.6
111.00751	0.4
113.02345	0.9
119.04951	0.5
119.56069	0.3
120.99542	100.0
121.02882	1.1
121.99893	2.3
129.01796	0.6
135.04431	0.7
136.01556	2.6
137.02351	0.8
139.03920	0.4
143.03362	0.4
151.00272	0.4
151.03915	3.3
154.35246	0.3
159.04434	1.1
160.05211	5.9
161.05542	0.5
165.01888	0.4
166.02512	0.4
167.03403	0.7
175.07567	2.6
178.99792	0.5
197.04428	0.6
226.02728	0.4
236.37254	0.4
239.07149	1.5
249.05629	0.4
250.06244	0.4
267.06583	9.9
268.07050	1.2
271.02490	0.4
282.08984	7.9
283.09308	0.8
285.03934	0.5
297.11307	5.3
298.11682	0.8
312.10098	1.1
325.03201	0.3
327.12341	8.4
328.12714	0.7
371.11316	9.2
372.11734	1.2
410.80676	0.3
433.24319	1.6
493.19223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34860	0.3
56.24659	0.3
59.01246	6.6
59.80010	0.3
61.98684	0.9
71.01247	3.0
71.52659	0.4
72.99162	0.4
78.95764	4.7
81.86224	0.3
85.02824	0.8
89.02309	2.3
101.02303	1.6
109.79932	0.3
113.02313	1.4
119.03372	0.9
132.02005	0.3
145.02805	0.5
147.04378	0.5
152.99464	1.8
155.08540	0.3
155.72133	0.3
161.05807	0.3
171.00577	1.0
171.08002	0.8
173.02368	0.8
174.03082	1.0
181.06532	0.7
183.04364	1.1
183.08055	1.0
184.05164	0.8
185.02252	0.4
185.06003	0.6
188.04680	0.6
195.99161	0.3
198.06740	1.0
199.07567	8.9
200.07936	0.6
201.09134	5.9
206.02257	0.5
209.05994	0.9
211.03926	4.2
212.04683	1.9
213.05435	0.6
213.61176	0.3
215.10620	0.4
225.05429	0.6
226.06277	1.1
227.07071	33.7
228.07408	3.5
241.08640	2.0
242.09406	1.4
243.10167	1.0
253.15950	0.4
268.14725	1.0
269.08237	0.3
270.16266	1.7
281.11707	0.4
285.18658	2.4
286.18909	0.5
295.22827	0.5
296.14145	27.0
297.14459	3.7
311.16495	100.0
312.16867	14.4
327.19617	1.0
329.17535	15.0
330.17993	2.0
342.84262	0.4
353.17593	5.2
354.17841	0.9
371.18619	2.9
401.19644	0.9
411.58829	0.4
431.20682	2.5
437.21060	0.3
491.22791	6.3
491.29340	0.3
492.28397	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	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71854	0.9
57.68165	0.8
58.66910	0.9
59.01255	4.4
69.03335	1.1
69.49245	1.0
71.01244	2.1
73.34099	0.9
75.00761	1.0
81.03345	6.9
83.01259	8.6
85.02812	4.6
93.03329	2.2
95.01262	1.3
95.04893	6.5
97.02844	3.2
99.04401	2.5
109.02850	3.3
111.04398	1.2
113.02327	1.9
121.02814	2.0
123.04436	15.5
125.02342	9.8
126.02752	1.1
135.04413	2.9
137.02335	3.7
137.05983	7.6
139.03893	7.8
147.04433	1.3
149.06024	1.1
151.03918	3.2
153.05440	1.3
161.06062	1.1
163.03912	2.7
164.04712	1.4
165.01826	3.1
165.05460	4.1
167.03416	30.5
168.03835	1.0
177.05505	2.1
179.03400	6.8
180.04214	0.8
181.05051	2.6
188.07922	0.8
189.05492	2.6
191.03386	1.4
193.05019	3.9
194.05759	0.9
197.04498	3.5
205.04857	1.1
207.06519	1.7
209.04507	50.0
210.04915	3.1
219.02933	1.2
221.04482	11.5
222.04637	1.1
235.06165	2.4
239.03375	0.6
239.05563	16.4
248.03270	1.2
251.05598	100.0
252.05931	8.8
263.05649	3.8
265.07062	1.2
269.06693	1.6
281.06668	61.9
282.07019	4.5
293.06607	3.4
311.07745	18.1
312.08066	1.9
323.07751	1.9
353.08713	6.6
361.30975	1.0
366.84879	0.9
371.09857	13.1
372.10062	1.5
383.09814	3.4
401.10992	1.6
431.22873	1.4
473.13034	1.4
491.14127	7.7
492.14407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside
Peak:m/z	Relative Intensity
59.01252	13.4
61.98709	1.5
69.03313	1.0
71.01248	4.7
71.53571	1.1
75.00762	1.2
83.01247	1.2
85.02831	5.6
87.00745	1.3
89.02324	2.9
95.01245	1.2
101.02332	2.4
105.03288	1.0
107.01274	1.9
109.02865	1.0
113.02342	2.9
120.99589	1.6
121.02855	1.1
125.02357	1.7
131.43375	0.8
132.02112	0.9
134.03612	3.1
135.04408	6.4
137.02356	2.5
149.02390	2.8
151.00240	5.6
153.01901	1.2
160.01582	4.6
161.02341	3.7
163.00267	1.2
163.03786	1.2
164.04613	1.1
167.03378	2.0
175.02547	0.8
175.03862	4.8
177.01852	1.0
179.03334	1.6
191.03464	1.3
193.05063	0.9
209.03056	1.0
215.03563	1.6
241.05115	1.1
243.02992	1.0
255.03220	1.1
267.07285	1.9
272.03204	1.8
284.03488	1.1
285.04041	36.2
286.04343	4.2
287.05664	2.1
297.03833	1.2
299.02170	1.3
299.05408	1.7
300.02704	13.5
300.05756	1.4
301.03424	2.1
311.05435	1.3
312.02664	2.4
313.03543	53.6
314.03906	6.0
315.05112	15.8
316.05472	1.5
327.04993	6.4
328.05881	47.2
329.06369	7.0
337.09192	1.7
341.03076	4.5
341.06790	1.2
343.08209	11.6
356.05542	4.4
360.04950	1.3
369.09937	2.1
371.07712	100.0
372.08124	10.7
383.08023	1.2
401.08902	4.2
402.09708	1.0
473.14584	2.0
491.12015	31.0
492.12354	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	491.0831
Annotation	Quercetin 3-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
51.58468	0.3
55.01764	0.4
57.03310	1.4
59.01254	8.3
60.01566	0.5
61.98684	0.7
63.02269	0.8
65.00195	6.0
67.01764	0.4
68.99680	0.3
69.03314	0.3
71.01254	5.0
71.27293	0.3
71.53591	0.4
72.99178	0.8
73.02818	0.6
75.00732	1.5
77.03838	1.0
79.01762	2.8
83.01263	2.5
85.02826	7.5
86.03094	0.3
87.00755	1.5
89.02285	1.9
89.14340	0.3
92.27663	0.3
93.03342	0.9
95.01262	1.8
97.02824	0.9
99.00764	2.5
100.19080	0.3
101.02290	1.0
103.00251	0.8
105.03329	0.5
107.01273	7.4
108.02094	0.3
109.02831	4.3
113.02330	9.6
115.00297	0.6
117.03366	0.3
118.97981	0.6
121.02837	6.5
123.00799	0.4
123.04430	0.4
124.01530	0.4
125.02349	2.6
129.01831	1.3
131.01321	0.6
133.02873	1.8
134.03590	1.0
135.04414	30.9
136.04730	1.4
136.98732	0.6
137.02377	1.7
139.03889	0.8
147.88991	0.4
148.01553	0.4
149.02344	2.0
150.03065	0.4
151.00273	38.9
152.00609	2.2
153.01834	0.4
159.04472	0.7
160.01584	0.6
161.02347	1.5
161.04546	0.5
163.03822	0.4
164.00984	0.5
165.01836	9.2
166.02220	0.7
167.03374	0.5
169.01297	1.2
173.06020	0.4
174.03256	0.4
175.00273	2.8
175.02388	2.0
175.03917	0.9
177.01839	1.8
179.03427	0.7
183.02879	0.5
183.04437	0.6
187.03816	0.4
193.01346	3.5
197.06073	0.4
203.03343	0.6
205.01337	0.4
207.02882	0.5
212.04555	0.3
213.05452	0.4
216.04182	0.4
217.04895	0.4
225.05528	0.7
227.03418	0.7
228.04140	0.4
241.04977	1.2
243.02892	0.6
243.06567	0.6
244.03557	0.5
253.05060	0.5
255.02917	1.0
256.03766	0.9
257.00842	0.7
257.04178	0.3
258.04318	0.4
259.06088	1.4
261.29712	0.3
269.04538	2.1
271.02301	0.7
272.03369	2.2
281.08392	0.5
283.02536	1.0
284.03278	3.1
285.00558	0.7
285.03827	6.9
286.04065	6.3
287.05624	34.5
288.05994	3.4
297.04010	1.1
298.04669	0.4
299.01846	0.5
300.02728	25.2
301.03122	2.2
301.06094	0.3
313.03510	0.4
314.04126	1.0
315.05093	100.0
316.05414	10.3
318.00638	0.3
329.02893	0.5
329.06500	0.8
355.06818	0.7
357.06125	1.4
371.07690	0.8
387.07120	0.9
431.22897	0.6
475.69409	0.4
476.16714	0.4
491.10596	12.5
491.19049	2.8
491.25790	0.5
492.10800	1.1
492.19238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47620	0.2
59.01251	2.7
60.83053	0.3
61.98709	0.6
69.24412	0.3
71.01263	0.7
85.02831	0.3
89.02328	0.5
93.80901	0.3
97.02796	0.3
101.02324	0.6
107.01253	0.3
108.02071	0.3
109.02834	1.3
113.02325	0.3
120.99569	1.0
131.01271	0.3
133.02837	0.5
135.04393	0.7
151.00266	1.0
152.01068	0.5
153.01834	1.0
160.01549	0.9
161.02353	2.2
162.42421	0.2
169.02921	0.3
174.03168	0.3
175.03860	0.5
175.62166	0.3
179.03436	0.5
183.04449	0.6
185.02364	0.8
187.00366	0.3
195.10161	1.3
198.03088	1.5
199.03877	0.9
201.01863	0.5
202.02650	1.0
203.03363	0.3
205.89005	0.3
214.02585	0.9
215.03381	0.6
225.01924	0.7
226.02654	8.9
227.03412	5.8
228.03870	0.3
241.05022	0.3
242.02106	2.5
243.02950	10.9
244.03314	0.9
253.01288	1.8
254.01736	0.4
255.02983	0.7
256.03598	0.4
257.04407	0.3
269.04541	0.4
269.99338	0.2
270.01669	8.8
271.02454	14.6
272.02832	1.4
274.01224	0.6
281.04480	0.5
282.05151	0.4
283.02448	0.4
284.03363	1.6
285.04034	15.6
286.04337	1.3
299.01959	15.9
300.02548	2.5
309.04031	0.7
312.02759	1.7
313.03531	32.2
314.04129	7.5
315.04922	2.3
327.05069	1.5
328.02325	0.9
328.05774	5.7
329.06635	4.9
330.07071	0.5
343.04599	3.4
344.05109	0.4
371.07718	0.7
431.22324	0.3
461.07248	20.5
462.07642	2.9
475.08911	0.4
476.09583	15.5
477.10095	2.1
491.11929	100.0
492.12289	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	491.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	2.1
63.02280	1.1
65.00230	1.7
71.52154	0.7
73.21415	0.5
78.95798	1.3
83.01260	1.0
105.03358	0.7
107.01302	2.0
119.04926	1.1
121.02873	0.8
132.02103	0.6
133.02852	10.2
149.02350	1.1
151.00269	5.4
155.04866	0.7
163.03888	0.7
166.25394	0.5
167.04942	0.7
171.04527	0.7
175.04004	1.2
177.01849	3.7
182.03604	0.7
183.04453	2.8
185.02446	0.7
187.03975	0.8
192.04213	25.5
193.04626	1.6
199.03975	1.9
207.06584	17.6
208.06943	1.2
211.03920	1.2
227.03442	2.6
255.02969	88.7
256.03671	34.5
257.04169	2.5
275.20093	1.3
276.20416	1.3
283.02472	100.0
284.03210	67.5
284.06577	1.3
285.03937	19.6
286.04581	1.2
293.21216	2.0
294.21686	0.9
299.05698	1.6
313.54938	0.7
371.06433	0.6
387.05701	0.6
490.25671	1.0
491.08771	0.8
491.26178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15679	0.3
53.74804	0.3
59.01244	1.1
59.25352	0.3
63.02279	1.1
65.00208	0.5
70.32762	0.7
70.33167	0.6
76.54980	0.3
83.01274	0.6
104.02602	0.4
107.01270	1.7
119.04948	0.3
125.02372	0.4
133.02856	4.2
145.02879	0.4
147.00839	0.5
149.02377	0.6
151.00264	2.9
155.04890	0.7
159.04417	0.5
163.03984	0.5
164.04741	0.4
167.04918	0.5
169.02769	0.3
177.01830	1.7
178.02255	0.3
182.03665	0.4
183.04442	2.5
184.04832	0.3
185.02371	1.0
187.03943	0.8
192.04204	18.7
193.04735	1.0
199.03964	1.0
203.03772	0.4
207.06566	10.6
208.06880	0.7
211.03983	0.8
213.01874	0.6
227.03470	2.5
255.02972	100.0
256.03622	22.6
257.04019	1.0
283.02478	98.8
284.03198	50.0
285.03769	5.9
286.04388	0.4
416.05182	0.6
444.04688	0.5
459.07184	1.1
491.09735	2.8
491.28665	0.5
492.10532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08702	0.3
54.17957	0.4
55.01737	0.8
57.03322	3.8
58.00462	1.1
59.01249	22.7
61.98705	0.5
65.00172	0.4
69.03324	0.4
71.01252	16.4
71.04886	0.7
72.99184	2.0
73.02818	1.9
75.00752	0.8
83.01248	1.9
85.02825	9.0
85.06467	1.8
85.99956	0.4
87.00757	1.4
87.04391	11.6
87.04900	0.8
89.02316	9.5
95.01263	2.3
95.51125	0.4
99.00757	1.9
99.08058	0.7
101.02320	8.2
101.05961	0.8
111.00775	0.5
111.08014	0.4
113.02330	11.9
118.97978	0.4
119.03387	3.6
119.04893	0.4
126.93838	0.4
127.28072	0.4
133.02914	0.4
143.03397	0.6
149.13168	0.5
156.03874	0.5
161.33322	0.4
173.45450	0.4
175.02359	0.9
193.01605	0.5
193.15889	1.5
239.16544	1.9
255.02914	2.1
263.20377	0.4
269.04556	0.5
281.21268	0.6
298.04782	4.1
299.05386	0.6
299.25696	0.7
307.82507	0.5
309.20755	2.6
313.07153	10.9
314.07455	0.9
323.22168	0.4
327.21738	24.1
328.22067	3.2
345.30002	1.2
369.22607	0.5
489.27045	100.0
490.27371	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	489.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88517	0.6
59.01249	100.0
60.01575	1.3
71.45042	1.1
91.03891	1.1
101.95636	0.6
126.39371	0.7
355.32156	2.2
402.25635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89344	0.3
55.01754	0.4
57.03296	0.8
59.01253	5.8
63.02252	0.4
65.00201	1.5
67.01747	0.4
68.99674	0.4
69.03287	0.3
69.40556	2.0
71.01252	4.8
72.99157	0.9
73.02779	1.0
81.03303	0.9
83.01259	1.9
85.02347	0.5
85.02816	5.7
87.00735	1.6
89.02299	1.2
93.03301	0.4
95.01260	1.4
97.02808	1.3
99.00754	2.0
101.02314	0.5
103.00226	0.5
105.03303	0.6
107.01243	2.7
109.02852	0.6
113.02337	6.0
115.00227	0.6
117.01778	0.7
119.03393	0.3
120.99525	1.6
121.02873	1.6
123.00739	0.6
123.04398	0.5
125.02338	5.1
129.01787	0.5
133.02855	0.5
134.03667	0.3
135.04413	21.3
136.04700	1.2
137.02322	1.2
148.01579	0.7
149.02341	2.4
150.03029	0.9
150.99132	0.5
151.00273	7.3
151.01486	0.4
152.00444	0.3
159.04359	0.5
161.02292	1.2
163.00264	1.5
163.03914	0.3
164.00986	0.7
165.01842	3.3
167.03427	1.9
175.02336	1.0
177.01874	0.6
179.03415	0.4
181.01312	0.7
191.03447	0.6
193.01353	15.4
194.01707	0.8
197.04413	0.6
203.03450	0.4
205.01405	0.4
215.03450	0.7
216.04115	0.3
223.02414	4.5
227.03455	0.6
228.04149	0.4
231.02821	0.4
235.02104	0.4
243.02936	0.8
257.09232	0.6
271.02338	1.4
272.03268	6.9
273.03455	0.5
279.69159	0.3
284.03409	0.3
285.04175	0.4
285.07208	0.3
287.02106	0.6
287.05560	2.0
299.01999	0.7
299.05350	0.3
300.02728	70.0
301.03058	6.6
313.03210	0.3
314.04175	0.8
315.05084	100.0
316.01776	0.7
316.05383	9.9
327.05063	0.6
328.05396	0.5
329.06650	20.5
329.10760	0.8
330.06976	2.1
357.06171	0.7
359.07681	4.9
360.07910	0.4
371.07672	0.7
387.07159	0.7
413.09039	0.4
431.23022	0.5
491.08096	7.8
492.08563	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85500	0.6
57.03317	2.0
58.00449	0.7
59.00953	0.9
59.01249	15.6
61.08301	0.7
61.98687	1.0
69.03320	1.4
70.86320	1.1
70.86650	0.6
71.01250	12.1
72.99168	0.7
73.02824	3.7
74.75546	0.7
75.91342	0.6
83.01247	1.5
83.04900	1.1
85.02828	7.8
87.00746	1.0
89.02282	3.2
95.01284	1.1
95.04903	0.6
97.02843	1.6
97.06476	1.9
99.00727	1.5
99.04351	0.9
101.02328	7.7
113.02322	5.4
119.03363	1.4
121.02849	1.0
121.10112	0.7
123.08006	0.8
125.02341	0.8
125.09619	1.6
127.11173	3.2
133.02849	0.9
137.02296	1.3
151.00241	1.0
151.03951	0.9
155.10681	6.8
161.02275	1.0
161.04480	1.9
163.03833	1.1
167.14308	1.4
171.10173	14.3
172.10611	1.1
175.03900	1.1
179.03365	0.8
181.04991	0.8
183.07887	0.7
183.13795	2.2
185.11819	1.7
197.11853	1.3
209.11789	1.9
211.13361	14.4
213.00082	0.7
221.11801	1.7
227.12791	1.2
229.14409	32.8
230.14793	2.5
257.13931	1.2
285.03870	1.1
291.19690	4.3
309.20557	3.9
311.22318	2.9
313.03421	0.8
327.18381	0.5
327.21756	15.9
328.22043	1.4
362.39194	0.7
373.26028	4.2
391.19751	3.5
471.26599	0.9
489.27051	100.0
490.27475	15.5
490.34503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51442	0.3
57.03339	0.3
59.01250	100.0
60.01576	1.3
69.17709	0.5
69.18106	2.6
70.22668	0.2
71.01254	2.3
72.99170	0.3
73.02829	1.2
77.40618	0.3
78.00297	0.2
80.13953	0.3
80.96429	0.4
83.01268	0.3
85.02839	0.7
89.02334	0.7
96.95876	0.3
98.19835	0.6
101.02335	1.5
113.02356	1.0
118.45857	0.2
125.02363	0.4
139.03885	0.3
151.04019	0.3
161.04433	0.6
165.01892	0.3
167.03400	0.5
189.12782	0.5
191.05446	0.4
207.13905	0.4
220.94913	0.3
298.04800	0.3
299.06052	0.3
327.05246	1.0
429.21548	0.8
489.15573	0.9
489.24045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.7
61.98721	0.2
63.02267	1.4
65.00195	1.2
69.47273	1.1
77.36672	0.2
83.01270	1.5
85.02802	0.3
89.02371	0.2
91.82499	0.2
98.19715	0.2
101.02321	0.3
105.03374	0.2
107.01274	3.3
109.02842	0.5
113.02293	0.2
121.02827	0.6
123.00745	0.3
125.02332	0.3
132.02075	0.4
133.02844	4.9
133.03828	0.4
134.03656	1.8
135.04440	0.3
143.04942	0.3
148.01559	0.8
149.02364	1.6
149.99464	0.6
151.00279	6.5
152.00642	0.3
161.02319	0.3
169.01355	0.3
171.04411	0.3
173.02338	0.2
174.03151	0.2
175.03944	1.9
177.01819	0.4
183.04457	0.9
185.06036	0.4
187.03868	0.6
188.04668	0.3
189.05467	0.2
195.04539	0.3
198.03082	0.3
199.03918	2.5
200.04712	1.0
201.01859	0.6
202.02528	0.2
211.03926	1.6
212.04582	0.5
213.02040	0.3
213.05444	0.6
214.02586	0.5
215.03384	0.6
216.04109	0.5
217.04999	1.1
223.04039	0.4
226.02675	0.4
227.03476	2.8
228.04010	0.5
229.04906	0.4
239.03435	0.8
240.04152	0.2
241.04984	0.7
242.02205	0.5
243.02975	0.6
255.02971	1.9
256.03745	6.0
257.04211	0.9
267.02930	0.5
269.04703	0.4
270.01575	0.3
283.02542	1.1
284.03259	77.0
284.27063	0.2
285.04007	100.0
286.04385	8.2
297.04056	0.8
298.04886	0.3
299.05539	0.3
313.03601	2.5
313.06982	0.3
314.04099	0.6
327.05136	1.5
339.05051	0.2
429.08054	0.3
429.21780	0.2
447.09146	0.4
489.10367	95.2
490.10724	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	489.1039
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
50.08849	0.6
55.01741	0.9
57.03329	4.8
58.00426	0.9
59.01252	19.5
61.04897	0.6
61.98677	0.8
65.00223	0.6
67.01744	0.6
69.03325	0.7
69.81741	1.6
69.82145	1.2
71.01255	18.1
72.99194	3.0
73.02782	2.5
75.00743	5.3
83.01237	2.3
85.02821	24.5
85.06431	1.0
87.00744	4.7
87.04395	4.8
89.02322	6.2
95.01274	7.2
99.00751	8.8
99.08012	0.8
101.02321	4.6
103.00265	3.7
113.02332	44.7
114.02627	1.6
115.00220	2.1
117.01833	3.2
118.97960	1.3
119.03405	1.4
125.02298	0.7
128.21469	0.5
129.01810	2.4
157.01279	0.9
160.01521	0.6
165.54124	0.6
175.02409	9.4
176.56908	0.6
206.15942	0.6
221.02542	0.6
239.16544	1.6
253.05058	1.3
255.02971	23.1
256.03287	1.7
268.03696	1.2
269.04562	4.4
270.05234	1.3
297.03998	3.7
298.04828	39.8
299.05206	3.8
309.20770	1.3
313.07178	100.0
314.07492	11.4
327.21780	11.2
345.29846	0.7
369.22696	0.8
489.11432	3.3
489.27136	48.9
489.34113	3.0
490.27472	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01250	76.3
60.01588	1.0
65.00204	0.8
67.01776	0.3
67.62157	0.2
69.03333	0.3
69.36292	1.7
71.01250	2.9
73.02812	1.3
77.03844	0.9
79.01776	0.7
79.95609	0.4
80.71785	0.2
81.03337	0.3
83.01269	1.1
84.42674	0.2
85.02798	1.3
87.00760	0.4
89.02325	1.3
90.73080	0.2
91.01826	0.2
93.03321	0.4
95.01274	0.5
97.02821	0.8
99.00746	0.3
101.02322	2.2
105.03341	0.7
107.01283	0.9
109.02843	3.1
113.02293	1.5
117.03361	0.3
119.03381	0.4
119.04919	1.3
121.02853	2.3
123.00792	0.5
123.04403	0.4
125.02337	1.9
132.02106	0.4
133.02844	16.4
134.03250	1.0
135.00786	0.5
135.04425	2.4
137.02377	0.5
139.03899	0.6
145.02849	0.5
147.04433	0.9
148.01575	0.6
149.02364	1.9
151.00308	0.6
151.03902	0.8
151.85623	0.2
153.01871	0.4
161.02361	1.8
161.04453	0.9
163.00279	2.1
163.03914	3.6
164.00990	0.2
164.04277	0.3
165.01842	2.2
167.03462	0.8
173.02356	0.6
174.03114	0.3
175.00349	0.4
175.03925	3.5
176.04327	0.4
177.01863	1.1
179.03413	0.3
185.02359	0.5
185.06039	0.3
187.03952	0.5
189.01915	0.4
189.05515	0.3
190.99815	0.3
191.03412	2.2
193.01334	1.8
197.06154	0.3
198.03189	0.8
199.03911	1.8
201.01865	1.5
203.03467	0.6
209.51892	0.3
211.03949	0.7
211.07565	0.3
212.04663	0.8
213.05508	1.2
214.05913	0.3
215.03493	0.5
217.05040	0.5
225.05615	1.1
225.14720	0.2
226.02600	0.4
227.03473	0.9
227.07114	0.5
228.04216	0.3
229.01445	0.3
229.05142	0.6
231.06516	0.3
237.05492	0.5
239.03436	0.4
239.07135	0.3
240.04167	0.6
241.04904	0.8
243.02960	0.7
253.05009	1.2
254.05713	0.5
255.03065	0.8
255.06686	0.9
256.03806	0.9
256.06503	0.2
257.04465	0.6
258.01999	0.7
259.06042	0.4
267.02988	0.4
269.04465	1.0
270.05148	0.5
271.06152	0.4
281.04440	0.5
283.06223	0.4
284.03250	10.3
285.04004	7.7
286.04205	0.6
297.04031	14.7
298.04736	9.2
299.05576	19.7
300.05930	2.1
309.04074	1.7
311.05594	2.4
313.03381	1.3
314.03986	0.6
323.05695	0.3
324.02789	0.6
325.03561	1.1
327.05078	100.0
328.05429	13.0
339.05109	3.3
340.05548	0.5
341.06549	0.9
342.06900	0.3
351.17911	0.3
357.06152	18.1
358.06485	2.5
365.06516	0.6
369.06158	2.6
369.19232	0.7
387.20279	4.1
388.20532	0.5
393.06049	1.9
411.07092	0.4
429.08246	3.3
429.21414	1.5
430.08832	0.6
447.09390	0.9
489.10382	14.3
490.10663	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	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.7
57.03321	1.3
59.01244	3.6
61.98700	100.0
68.53760	0.5
71.01259	1.8
71.24586	1.0
72.99189	1.0
73.02802	0.9
75.00745	1.7
81.03370	0.8
81.27676	0.6
84.02042	0.6
85.02818	14.6
87.00739	1.2
93.03349	1.1
99.00762	0.8
101.02395	0.7
101.05946	7.5
109.02834	7.0
110.03140	0.7
111.00745	0.9
113.02332	1.7
120.37968	0.5
120.61034	0.5
121.02853	1.0
123.04427	2.4
127.40855	0.5
129.01833	1.3
133.02895	1.7
135.04399	1.1
147.02885	1.4
153.01817	0.7
159.04216	0.5
161.02332	1.0
163.03903	0.7
189.89267	0.5
191.01897	4.6
199.04004	0.7
211.03996	0.7
229.04988	1.2
240.04251	0.8
241.05055	2.2
243.06621	1.8
249.06143	1.0
253.04887	0.7
334.45874	0.6
351.12885	8.2
360.05994	0.6
361.06802	0.6
375.08557	2.7
484.10919	3.3
485.12057	3.1
485.18173	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01647	0.6
55.01892	0.5
57.03189	3.6
57.03507	2.1
59.01109	6.0
59.01447	2.9
64.73136	0.5
68.99575	0.6
69.43438	3.5
71.01102	3.1
71.01524	0.8
72.99072	0.9
73.02708	1.0
75.00642	0.5
76.86101	0.5
83.01118	4.1
83.01649	0.8
84.01903	1.1
84.02337	0.4
85.02670	44.6
85.03529	1.7
86.03054	1.0
87.00620	0.8
88.92253	0.5
89.02176	0.7
98.20580	1.0
99.00645	0.6
101.02159	2.1
103.00134	0.7
107.01129	1.1
107.01807	0.5
108.01907	0.6
109.02662	5.2
110.03031	0.8
111.00590	2.2
113.02186	1.1
115.44572	0.5
116.60127	0.5
119.04810	0.9
121.02705	1.1
125.02233	0.8
129.01656	5.3
131.03262	0.9
133.02687	0.5
134.03458	1.3
135.04391	2.3
136.18250	0.4
136.60625	0.5
137.02200	2.2
147.02898	8.6
150.03035	0.7
151.00140	0.9
151.03807	0.8
159.04285	0.8
161.02249	1.0
163.00195	1.1
163.03856	1.1
165.01715	1.6
167.03297	1.0
173.00691	0.4
173.05890	0.7
177.01845	0.6
178.02548	0.8
179.03412	31.1
180.03618	1.6
185.05858	0.9
191.01894	18.7
191.03581	1.2
192.02118	0.6
193.65443	0.5
199.03831	1.2
203.03377	0.8
207.02914	7.7
208.03566	1.5
209.02936	1.2
213.05418	1.8
219.06572	5.1
221.04428	0.5
221.08080	0.7
223.05931	0.9
225.05426	0.9
227.03471	0.5
229.04929	1.8
230.05247	0.7
235.05917	0.9
237.05238	1.0
237.07616	16.6
238.07991	1.0
240.04265	0.5
241.04944	4.6
242.05531	1.1
243.06514	5.0
244.06941	0.7
248.06747	0.5
249.07600	0.9
261.07629	0.7
265.07153	100.0
266.07632	9.0
279.08801	1.7
280.09497	47.4
281.10175	12.7
282.10559	1.1
285.04352	0.8
309.04065	1.4
309.09830	0.7
317.01181	0.9
323.11182	0.5
355.80936	0.5
357.08148	0.5
359.89932	0.5
363.08698	0.7
375.08685	5.0
376.09439	1.1
429.60367	1.1
467.12250	1.0
484.61765	3.3
485.17377	23.7
486.17679	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	489.1038
Annotation	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
59.01252	10.8
65.00213	0.4
71.01257	0.9
71.30746	0.6
73.02818	0.4
77.03825	0.6
79.01763	0.5
81.03336	0.4
83.01273	0.6
85.02818	0.7
89.02293	0.3
93.03322	0.5
93.16032	0.3
95.01311	0.3
97.02828	0.5
99.00721	0.4
100.53770	0.3
101.02299	0.8
105.03323	0.5
107.01290	0.5
109.02836	2.1
109.51335	0.3
113.02278	0.3
119.04930	0.9
121.02830	1.7
125.02349	1.3
132.02080	0.4
133.01848	0.7
133.02844	11.9
134.03171	0.3
135.00748	0.6
135.04422	1.7
137.02357	0.4
145.02725	0.5
147.04431	1.1
148.01523	0.3
149.02330	1.6
151.00323	0.6
161.02342	1.1
161.04482	0.5
163.00276	1.7
163.03923	2.9
165.01799	1.5
171.04443	0.4
173.02452	0.6
175.00316	0.3
175.03934	2.6
176.24284	0.3
177.01823	0.7
191.03456	1.4
193.01347	1.3
197.05986	0.3
199.04037	1.5
201.01875	1.2
202.02521	0.3
203.03346	0.4
209.05963	0.5
211.04012	0.4
213.05522	1.1
217.04839	0.4
224.04753	0.4
225.05495	0.6
227.03438	0.5
227.06830	0.4
237.05461	0.5
239.03532	0.5
240.04283	0.7
241.04791	0.5
242.02098	0.4
243.02826	0.6
253.05040	1.0
255.02858	0.7
255.06570	0.7
256.03714	0.6
257.04596	0.3
269.04770	0.6
270.05124	0.3
281.04498	0.6
284.03271	8.2
285.03992	6.5
286.04361	0.6
297.04044	10.8
298.04736	7.4
299.05591	17.1
300.05984	1.8
309.03986	1.2
310.04666	0.4
311.05582	1.9
313.03467	1.2
324.02557	0.7
325.03445	0.8
327.05081	100.0
328.05411	11.7
339.05096	2.8
341.06604	0.8
357.06146	17.4
358.06387	2.2
369.06140	2.9
369.19147	0.7
370.06491	0.4
387.20261	1.3
393.06036	2.4
411.07455	0.3
426.48007	0.3
429.08237	4.0
429.21194	0.9
430.08447	0.7
447.09213	1.2
489.10385	15.0
490.10736	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	488.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.4
61.98701	100.0
67.53381	0.8
71.01263	1.6
71.33323	0.8
71.33669	0.8
74.89094	0.6
76.89258	0.6
78.95778	2.5
89.02342	0.8
101.02358	1.3
113.02303	1.0
114.21700	0.6
114.35818	0.7
123.66623	0.6
138.58450	0.7
152.99538	2.4
253.09264	5.4
253.21700	43.7
349.43106	0.6
488.35001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
51.48906	0.6
59.01250	26.9
65.00202	1.3
69.41347	4.1
71.01227	2.9
73.02816	1.5
75.00720	0.5
77.03854	0.7
79.01762	0.7
80.96390	2.9
81.03324	0.9
83.01260	1.4
85.02814	1.6
87.00743	0.6
89.02327	0.9
93.03368	0.9
96.35514	0.6
97.02806	1.1
101.02309	2.4
105.03345	1.9
107.01240	1.4
109.02841	4.1
113.02335	1.2
119.04910	1.7
121.02801	1.8
123.04414	0.7
125.02355	2.8
131.01300	0.5
133.02847	27.3
134.03664	0.9
135.00743	1.0
135.04404	2.4
137.02345	0.8
147.04419	2.0
148.01578	0.9
149.02325	2.2
151.00293	1.5
151.03867	1.3
161.02335	4.8
161.04486	0.7
163.00255	3.8
163.03951	3.2
165.01842	2.6
171.04416	2.0
173.02367	1.7
174.03017	0.6
175.00264	1.5
175.03906	4.7
177.01790	3.0
185.02373	0.7
187.03889	0.7
189.01799	0.7
189.05463	0.8
191.03415	3.5
193.01352	1.3
198.03101	0.6
199.03889	1.7
201.01805	2.4
203.03426	1.0
209.06146	0.6
211.04005	1.5
212.04713	0.8
213.05515	1.6
215.03477	3.6
224.04739	1.5
225.00658	0.8
225.05527	1.5
227.03470	1.6
227.07088	0.6
229.04977	1.3
231.02892	0.6
233.04520	0.9
239.03456	1.5
239.07054	1.0
240.04181	1.3
241.04962	1.4
251.03339	0.7
253.05054	2.3
255.03052	1.9
255.06660	1.7
256.03775	0.8
257.04688	3.0
259.02377	0.8
265.04974	0.7
269.04541	2.4
271.06091	0.8
281.04547	1.2
283.03021	0.6
283.06128	2.1
284.03253	12.5
285.03922	6.7
295.06293	0.7
297.00684	1.0
297.04028	20.9
297.07263	1.3
298.04828	14.5
299.05569	17.7
299.08838	1.3
300.05920	1.7
309.04062	12.9
310.04083	1.3
311.05585	4.4
312.06073	0.8
313.03555	4.3
314.04004	1.0
323.05478	1.1
324.02756	1.7
325.03549	10.6
325.06927	0.5
326.03781	1.2
327.05093	100.0
328.05429	11.4
337.03531	1.2
337.07184	2.4
339.05081	15.9
340.05331	1.9
341.06628	10.1
342.06915	1.2
343.04822	0.8
351.05103	2.4
357.06235	4.8
365.06686	2.2
369.06119	17.7
370.06418	2.5
381.06000	2.1
393.06116	14.4
394.06595	1.5
411.07040	3.2
429.08267	26.2
429.21143	0.9
430.08542	4.7
447.09402	1.5
471.15417	1.6
489.10495	15.7
489.16629	2.3
490.10709	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34151	0.4
57.03321	0.9
59.01249	100.0
59.06234	0.4
60.01585	1.3
70.16013	0.4
71.01251	8.9
71.33363	0.8
72.99172	0.8
73.02818	9.5
83.01252	4.4
85.02833	1.6
87.00778	0.6
89.02308	4.3
101.02321	12.3
108.65067	0.4
109.02853	0.6
113.02320	3.3
113.06003	0.7
119.03390	2.5
123.70547	0.4
125.02367	1.2
131.03418	0.7
137.02351	0.7
143.03412	1.5
149.04485	1.3
151.00319	1.2
153.01833	10.0
153.09157	0.6
161.04451	3.9
165.09122	4.6
167.03406	2.2
179.05602	0.5
187.11237	1.7
203.05542	0.7
205.12352	1.7
220.95241	0.4
221.06636	0.6
223.13393	1.1
237.22171	0.4
252.64363	0.4
325.20544	0.5
357.08609	1.1
367.17630	1.1
371.78235	0.5
375.53079	0.5
385.18661	3.0
390.28412	0.5
427.19650	3.6
487.25662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.7
57.03321	1.3
59.01244	3.6
61.98700	100.0
68.53760	0.5
71.01259	1.8
71.24586	1.0
72.99189	1.0
73.02802	0.9
75.00745	1.7
81.03370	0.8
81.27676	0.6
84.02042	0.6
85.02818	14.6
87.00739	1.2
93.03349	1.1
99.00762	0.8
101.02395	0.7
101.05946	7.5
109.02834	7.0
110.03140	0.7
111.00745	0.9
113.02332	1.7
120.37968	0.5
120.61034	0.5
121.02853	1.0
123.04427	2.4
127.40855	0.5
129.01833	1.3
133.02895	1.7
135.04399	1.1
147.02885	1.4
153.01817	0.7
159.04216	0.5
161.02332	1.0
163.03903	0.7
189.89267	0.5
191.01897	4.6
199.04004	0.7
211.03996	0.7
229.04988	1.2
240.04251	0.8
241.05055	2.2
243.06621	1.8
249.06143	1.0
253.04887	0.7
334.45874	0.6
351.12885	8.2
360.05994	0.6
361.06802	0.6
375.08557	2.7
484.10919	3.3
485.12057	3.1
485.18173	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	483.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53706	0.5
57.03308	1.3
58.90723	0.5
59.01252	3.3
61.98678	0.8
69.03319	0.7
71.01248	1.9
73.02826	1.5
76.72137	0.6
81.03323	5.3
83.01265	6.5
83.04869	0.9
93.03281	1.2
95.01254	0.9
95.04897	3.4
97.02814	0.9
101.02332	1.0
107.04887	0.7
108.02071	1.0
109.02839	1.1
109.06464	1.3
111.04412	0.7
111.08061	1.2
121.02862	1.6
122.03644	1.7
123.04417	4.9
123.08084	1.3
124.01552	2.5
125.02357	1.3
133.06479	1.2
135.04420	1.8
136.05247	0.9
137.02348	1.7
137.05963	1.7
138.03114	2.2
139.03860	1.3
149.09654	4.7
150.03110	1.0
151.07483	1.1
152.04602	1.0
161.09602	1.1
163.03871	0.7
163.11205	1.7
164.04712	3.1
165.01801	1.4
165.09164	1.5
166.02586	3.5
167.03377	2.1
167.07050	3.7
167.10718	1.3
169.09819	0.6
173.09492	0.7
175.03996	0.6
177.85895	0.6
178.06219	0.7
179.03427	4.5
180.04201	12.9
181.50653	0.6
189.09094	1.0
191.03470	1.2
191.10696	6.1
192.04187	0.9
193.04938	0.8
193.08604	8.2
203.10570	0.7
205.04962	0.6
205.08620	0.8
205.12285	2.5
207.10216	1.1
208.03709	4.6
215.10796	1.2
219.06575	0.7
233.11763	3.7
235.09708	30.7
236.10049	2.7
238.04855	0.6
247.09673	4.6
249.11372	1.2
259.09796	0.7
261.11276	1.5
265.10803	1.6
274.08353	0.7
277.10797	100.0
278.11148	10.2
285.04013	1.4
289.10764	1.2
304.73578	0.6
307.11850	22.6
308.12225	2.6
319.11911	1.0
327.05026	2.5
357.05884	0.9
397.14951	2.4
398.15311	0.9
439.16220	3.1
440.16516	0.6
447.09296	2.6
455.33783	0.6
483.05551	2.0
483.33228	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	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81607	1.0
73.13734	1.0
92.33382	0.9
92.87957	1.0
97.89004	1.1
98.20586	2.3
102.18006	1.0
109.02856	2.9
121.02828	1.9
125.02328	2.3
133.02858	11.9
135.04362	1.2
141.04567	1.0
147.04404	1.1
151.00307	1.6
163.00259	2.3
163.03888	2.2
175.03905	3.9
191.03426	2.2
193.01416	1.2
213.05598	1.8
226.02765	1.3
282.77628	1.2
284.03250	9.4
285.03952	7.1
297.04004	16.1
298.04730	8.9
299.05579	19.5
300.05850	1.9
306.23361	1.1
311.05585	1.8
327.05084	100.0
328.05362	11.8
339.05188	3.5
357.06131	26.3
358.06387	2.7
369.06073	2.5
387.68842	1.1
408.26788	1.0
447.09277	66.4
448.09601	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	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01247	9.0
61.98709	2.7
65.00195	1.2
67.01759	1.6
71.01258	11.8
71.08787	1.8
72.99184	1.2
73.02806	2.3
73.03960	1.3
78.95778	1.7
81.03317	2.0
83.01250	2.5
85.02831	5.1
88.03927	3.5
89.02312	1.9
91.01785	2.3
93.03369	1.2
95.01256	2.2
96.95897	1.0
97.75883	1.0
99.00779	1.5
101.02322	3.8
107.01251	2.4
108.02052	28.7
109.02853	12.3
111.00774	2.9
113.02300	3.0
115.00285	6.8
120.99522	1.4
123.00800	5.9
123.04398	24.2
124.04698	1.3
125.02348	7.5
129.10280	1.9
132.02959	3.0
133.02841	1.7
135.04414	5.8
137.02292	2.8
146.06093	1.3
151.00259	9.9
152.01053	57.5
153.01843	23.7
161.02431	1.5
163.00203	1.7
164.07082	2.1
166.02669	8.1
167.03407	100.0
168.03757	4.7
177.01884	3.0
178.02275	1.3
178.99733	1.9
179.03413	3.0
181.01361	1.6
181.04979	6.1
182.56226	1.2
183.27382	1.0
186.12395	7.0
199.03960	1.1
199.13341	1.1
207.10291	1.4
243.12250	1.2
249.00563	1.3
269.00681	1.2
271.02396	3.9
272.03232	1.3
285.04010	3.4
287.02057	1.5
296.05328	2.2
297.06143	37.2
298.06506	3.0
299.01996	3.4
299.05457	1.8
301.03366	1.4
311.07724	32.4
315.18283	4.1
316.02231	3.9
317.02921	6.7
317.06445	2.0
333.19360	4.7
345.19153	1.4
363.20331	6.6
364.18716	9.1
425.89120	1.3
461.06961	1.6
479.11740	33.8
479.21387	21.0
480.12152	5.4
480.21301	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	479.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84370	1.0
53.94021	0.9
54.28036	0.9
59.01262	4.5
61.98713	1.3
65.00191	1.4
68.99664	1.0
71.01255	20.5
71.02370	4.3
71.04894	1.0
73.03940	7.4
83.01273	2.1
85.02809	3.5
88.03919	13.4
95.01290	1.7
97.02771	1.0
99.00765	6.9
101.02322	2.4
103.05001	3.3
107.01253	2.1
108.02050	5.6
109.02842	4.8
109.99968	1.3
111.00781	1.6
113.02298	1.7
115.00263	25.9
116.00583	1.4
116.04959	2.1
117.05367	1.0
121.02792	1.5
123.00739	2.7
123.04384	4.0
124.01508	2.1
125.02329	3.4
125.09579	1.4
129.10243	10.7
132.02003	1.6
132.02928	16.1
135.04393	1.9
137.02332	3.3
139.00278	2.7
140.07051	1.6
141.10220	1.7
142.20076	0.9
146.06068	5.9
147.04407	1.8
149.02278	1.4
150.75899	1.0
151.00302	8.9
151.03848	1.4
151.08688	1.6
152.01051	12.0
153.01822	6.4
161.02371	1.5
161.04427	1.1
163.00220	3.0
163.08672	2.2
163.11179	2.0
164.01050	2.2
164.07030	6.5
165.01762	2.6
165.98979	1.5
166.02600	2.6
166.99648	1.1
167.03421	18.3
167.05658	3.1
167.10464	1.0
168.03745	1.2
168.11371	1.9
169.09740	2.2
173.05803	1.0
175.04015	1.2
177.01868	2.1
178.99832	5.4
179.03438	1.9
181.01311	1.5
181.12262	5.9
186.12421	34.4
187.03862	1.1
198.12486	1.1
199.03908	1.1
199.13330	5.2
200.07056	1.1
201.01781	1.2
203.03323	1.6
206.99203	1.7
207.10191	9.0
215.03412	1.7
216.04095	1.2
217.01503	1.3
218.08118	1.6
224.12732	4.4
225.11278	16.7
227.03386	2.1
229.04938	1.1
230.05681	1.9
231.02922	1.8
233.16724	1.0
235.10783	1.4
241.13432	3.4
242.02171	3.3
242.11765	2.9
243.02913	4.2
243.12347	11.9
244.03667	2.1
245.04483	1.5
255.02933	3.1
256.03485	1.0
258.16061	3.3
259.02325	1.4
270.01627	3.1
271.02478	12.3
272.03091	6.2
273.03970	1.5
274.04620	2.5
276.17252	1.4
287.01926	5.2
288.02576	3.3
297.06287	7.3
298.01227	1.4
299.01984	16.5
300.02341	2.0
301.03250	1.2
311.07755	5.5
315.18216	16.9
316.02243	20.4
316.18503	2.2
317.03012	19.8
318.03287	2.2
327.04880	1.1
327.18210	1.4
333.19330	15.5
334.19666	1.7
343.06665	1.2
345.19302	3.8
358.10101	1.1
359.10501	3.0
363.20355	24.1
364.18741	39.4
365.19092	4.1
389.11469	2.3
405.21301	2.8
417.21375	1.5
435.22354	5.4
436.22711	1.8
461.07196	3.6
461.20389	2.1
479.07925	50.9
479.21365	100.0
480.08243	8.1
480.21567	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.9
59.77247	0.3
59.93093	0.3
65.00189	0.6
70.81907	0.6
73.93510	0.3
77.03829	0.9
79.01754	1.8
93.03356	0.5
97.02820	0.9
105.03318	0.5
108.02061	1.1
109.02206	0.3
109.02843	2.2
111.00735	0.3
115.61822	0.3
121.02848	6.0
123.00766	0.3
125.83917	0.3
133.02832	0.3
135.04454	0.3
136.01581	0.5
137.02324	0.8
138.03084	0.4
139.03900	0.5
148.01556	1.1
149.02373	1.8
150.03125	0.4
161.02298	0.4
164.01134	0.6
165.01845	9.7
166.02296	0.5
177.01877	2.4
178.02577	0.5
183.02881	0.6
193.01347	3.7
194.01817	0.4
197.05940	0.3
205.01450	0.7
206.02066	0.4
207.02751	0.4
211.03741	0.5
212.04805	0.4
213.05505	1.0
215.07007	0.5
225.05455	0.9
229.05083	0.8
230.05769	0.4
239.03625	0.4
240.04240	3.1
241.04976	3.9
242.02122	0.4
242.05588	0.6
243.02979	0.4
257.04529	12.8
258.04916	1.6
259.06128	0.9
267.02814	0.4
268.03757	4.0
269.04544	20.1
270.01788	0.6
270.04901	1.9
271.02441	1.0
285.04037	55.7
286.04483	7.8
287.05563	0.4
297.04004	0.7
300.02814	0.8
301.03534	1.1
313.03525	2.0
314.04300	100.0
315.05029	59.4
316.05417	5.9
357.06027	0.7
477.10355	67.3
478.10696	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	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
57.03314	1.3
59.01252	100.0
60.01574	1.3
61.98688	2.5
69.23081	5.0
69.23489	2.2
71.01256	26.8
71.43368	0.8
72.99169	1.5
73.02815	7.0
74.98965	1.3
79.77531	0.9
80.99780	1.0
83.01263	2.5
85.02827	10.5
87.00726	1.9
89.02314	9.2
93.03335	3.1
94.06645	0.8
95.01287	1.0
96.95892	1.8
97.02840	0.9
99.00749	3.6
101.02322	17.6
107.01261	1.0
109.02848	1.4
113.02341	11.4
117.97234	1.0
118.97979	5.0
119.03379	3.4
119.04886	1.4
121.02837	2.1
124.94236	0.9
125.02335	1.7
129.01776	1.0
134.03589	1.0
135.04427	1.6
135.98265	2.3
137.02281	2.0
143.03369	1.9
151.00296	2.7
152.00758	1.0
159.02887	2.5
161.02405	1.0
161.04472	22.7
161.05804	1.2
165.01819	1.0
167.03392	2.4
168.59570	0.7
175.03922	1.3
177.01881	1.4
179.05496	1.0
216.63708	1.0
255.02876	1.1
255.19455	1.1
257.04553	1.3
271.06116	2.2
272.06372	2.4
273.06589	2.9
284.03183	1.4
285.03952	2.6
286.04312	1.1
299.82565	1.0
301.03506	6.3
302.03568	1.7
314.04150	2.3
315.04974	2.4
329.06171	1.2
331.13507	0.9
357.06119	3.6
398.22827	0.9
417.24921	38.5
418.25311	6.2
427.49606	0.9
477.09787	4.9
477.25201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0981
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
59.01239	1.3
61.98703	0.5
62.46779	0.3
63.02262	0.9
65.00187	5.7
67.01755	1.4
68.99667	0.7
69.18996	2.9
78.95773	12.6
79.01759	1.5
83.01259	1.9
95.01250	1.4
95.81992	0.3
96.96840	1.5
98.19729	0.5
107.01266	6.5
108.02045	0.4
113.11874	0.3
121.02826	0.4
123.00761	11.3
123.01678	0.6
124.01097	0.6
125.02321	1.1
135.00781	1.0
136.01559	0.6
137.02333	1.1
145.02811	0.4
145.92809	0.3
147.98068	0.3
149.02341	0.5
151.00267	32.9
152.00832	1.8
152.99483	25.8
153.99744	0.4
157.27585	0.3
161.02335	2.6
163.00278	0.3
164.01067	0.3
165.01794	1.1
166.02602	3.4
166.72986	0.4
171.00533	1.0
183.04474	0.5
185.02376	0.7
187.00363	0.4
191.76303	0.3
198.03055	0.6
202.02789	0.5
203.03413	1.3
215.03310	0.3
222.03278	0.4
226.02649	1.0
227.03410	4.0
229.01353	0.8
235.03876	0.9
239.03729	0.3
243.03015	0.9
254.02156	0.6
255.02939	2.1
256.03503	0.7
265.04993	0.4
267.02643	0.3
269.04550	0.4
270.01721	1.1
271.02435	5.1
272.02963	1.0
283.02457	3.2
283.05829	0.5
284.02917	0.7
285.03946	2.3
289.05051	0.5
297.04025	0.8
298.04675	0.8
299.01947	19.0
299.05255	0.9
300.02548	3.5
301.03305	0.4
306.05438	0.4
311.22266	0.8
313.03525	3.1
314.04276	10.4
314.07874	0.6
315.04800	1.5
317.04544	1.0
318.05328	0.5
329.06683	4.1
331.06134	0.3
333.04034	1.4
334.04602	1.2
345.03934	1.8
346.04733	1.3
347.05682	0.7
359.05530	0.7
361.03427	3.5
362.04041	2.3
373.03397	1.4
374.04309	4.9
375.04877	2.7
376.05768	0.6
387.04901	1.3
388.05869	0.9
388.85510	0.3
389.02841	2.2
390.03650	2.3
399.87943	0.4
400.02216	1.0
402.03818	3.8
403.04196	1.1
404.05237	1.4
405.06113	0.9
415.04733	0.6
417.06433	2.8
418.02905	2.6
431.04068	0.7
432.04886	6.1
433.05606	24.6
434.06140	3.6
435.07104	3.2
447.07178	26.0
448.07510	4.6
461.05188	1.3
464.07425	17.3
465.07864	3.3
479.09790	100.0
480.10132	17.8
491.05823	1.5
492.06195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0823
Annotation	Desalanylbenanomicinone
Peak:m/z	Relative Intensity
58.05272	0.4
59.01254	4.5
61.98696	1.0
65.00183	1.7
67.36285	0.4
70.29544	0.4
71.53001	0.5
73.02795	0.4
73.09422	0.4
74.98925	0.4
78.95756	0.7
79.63136	0.4
82.47003	0.5
83.01260	1.4
85.02800	0.5
99.58605	0.4
101.02307	1.0
107.01254	2.9
108.02045	0.7
112.84424	0.5
113.02245	0.5
119.04916	1.2
121.02790	0.8
125.02374	0.6
132.02045	0.7
133.02846	13.6
134.03476	0.4
135.04324	0.5
137.02328	1.3
147.04369	0.5
149.02354	2.6
151.00285	8.7
152.99522	1.0
153.45074	0.4
163.03891	1.7
175.03928	4.9
183.04349	0.5
189.05351	0.6
192.00594	1.5
193.01357	1.5
197.06009	1.4
199.03902	4.4
201.01830	1.4
213.05467	0.9
215.03514	0.9
217.05067	2.8
227.16559	1.0
239.03566	0.5
241.04990	2.0
243.02943	1.5
255.02974	4.8
256.03726	10.6
257.04251	1.2
267.02875	0.5
283.02472	6.8
284.00018	1.0
284.03247	26.4
285.04019	100.0
286.04398	9.1
301.03366	0.9
314.04282	0.6
375.05203	1.1
389.06683	0.6
390.07397	1.1
433.09256	80.1
434.09576	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	479.0832
Annotation	SCHEMBL1707729
Peak:m/z	Relative Intensity
51.80434	0.6
55.61879	0.6
59.01252	3.4
65.00195	3.4
68.99684	0.9
69.03307	1.0
69.09648	0.6
71.01251	1.8
81.24983	0.6
83.01256	2.4
85.02841	1.6
89.02294	1.0
93.03331	1.0
95.01249	2.8
98.19766	1.8
99.00761	1.3
101.02298	1.0
107.01277	2.9
108.02060	1.4
109.02817	7.9
109.99978	4.8
111.00777	5.5
113.02313	0.9
119.01265	0.9
121.02866	0.9
123.00753	6.0
124.01543	4.4
125.02343	3.4
132.02136	0.8
133.02872	1.5
135.00787	1.2
135.04387	1.1
136.98688	2.7
137.02322	3.4
137.99477	3.0
139.00281	6.7
139.03836	0.7
145.02898	0.8
148.01561	1.8
149.02283	2.5
151.00276	13.9
151.01500	0.8
152.01062	6.5
153.01845	3.2
155.04929	1.1
156.66704	0.7
159.04428	1.5
160.01537	0.9
161.02272	1.2
162.03139	0.8
163.00296	5.4
163.03876	1.4
164.01050	3.9
165.01773	2.2
165.99014	7.0
166.99742	5.0
167.03406	1.4
168.31577	0.6
169.01303	0.9
171.04440	2.1
173.02310	1.5
174.03162	1.2
175.00235	0.8
175.03940	2.0
176.00969	1.2
177.01752	0.8
178.99786	14.8
179.03322	1.0
180.00278	1.2
181.01384	1.8
181.12346	0.7
182.03616	0.9
183.02925	1.1
183.04526	1.9
185.02388	0.9
186.03082	1.4
187.03882	3.3
188.04546	1.0
189.01886	1.9
190.02565	1.0
190.99768	1.2
192.00571	1.4
193.01440	1.4
194.99200	1.3
197.02344	0.7
198.03123	2.6
199.03958	4.4
199.13341	1.3
199.38730	0.7
201.01860	2.1
202.02467	1.1
203.03474	4.4
204.03995	1.1
206.99359	1.6
207.02858	0.8
207.10159	1.4
208.00043	1.1
211.03914	1.1
213.01878	1.4
214.02623	3.1
215.03424	5.0
216.04164	2.0
217.04959	1.2
219.02968	1.9
225.11356	3.3
226.02686	2.2
227.03423	7.5
228.03864	0.8
229.01492	1.5
229.57675	0.7
230.02148	1.4
231.02963	5.7
232.03609	1.6
241.01392	1.5
242.02097	5.1
243.02960	12.4
244.03510	3.8
245.00946	1.3
245.04413	1.4
247.02336	0.7
255.02960	7.5
256.03467	0.8
259.02505	6.9
260.03052	2.2
270.01682	7.7
271.02469	48.5
272.03110	11.1
273.04025	7.4
274.04276	0.7
286.01047	0.7
287.01965	22.7
288.02621	11.3
289.03311	2.5
289.41891	0.7
298.01257	3.0
299.01947	34.4
300.02429	3.6
303.04279	0.7
311.07608	1.5
315.01477	1.6
316.02216	71.1
317.02963	44.5
318.03177	3.9
343.06708	2.9
371.06192	0.8
435.09253	1.6
436.09689	0.7
461.07315	2.4
479.08273	100.0
479.21622	4.3
480.08606	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	479.0831
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
57.52271	1.6
59.01262	2.1
65.00203	2.6
67.01746	2.0
69.03311	2.4
69.57938	6.5
69.58359	4.1
71.21244	1.6
79.01723	2.3
81.03322	4.8
83.01272	4.9
93.03331	6.8
95.01244	4.1
95.04919	2.3
97.02818	5.2
97.26150	1.9
99.04385	1.7
101.02355	1.8
105.03359	3.5
107.01272	5.8
109.02825	39.6
110.03150	2.2
111.00744	3.0
113.02313	2.6
119.01287	1.9
121.02854	12.3
121.26359	1.6
123.00808	3.2
123.04405	6.3
124.01521	1.9
125.02357	15.6
133.02829	15.7
135.00772	4.9
135.04376	3.9
137.02344	14.0
139.00275	2.2
139.03922	4.1
139.66751	1.7
141.01843	3.1
145.26190	2.1
149.02328	19.8
151.00217	8.8
151.03894	4.9
153.01854	11.1
161.02335	6.8
163.00307	11.8
163.03877	3.4
164.00934	2.8
165.01848	24.1
166.02560	10.1
167.03413	11.1
167.36305	1.7
169.01320	2.1
173.02351	2.4
175.00331	2.8
175.03902	4.3
176.01057	2.2
177.01839	24.3
178.99770	4.5
179.03395	5.9
181.01341	7.8
187.03958	3.2
189.01871	7.0
190.99794	19.7
191.03436	4.2
192.00456	6.0
193.01384	26.3
193.50769	1.8
194.01787	2.6
195.02826	4.8
197.06032	3.2
199.03908	2.9
200.16501	1.9
202.99811	6.5
203.03461	6.2
205.01372	25.9
207.02844	6.8
209.00758	2.3
213.05528	3.8
215.03384	3.9
217.01434	3.5
218.99368	2.7
219.03044	2.9
221.00882	12.0
222.01657	2.5
223.02368	13.7
224.02994	2.5
227.03435	2.4
228.04253	2.6
231.02954	2.9
235.02515	10.6
241.04948	4.7
242.02306	2.9
245.04845	2.6
249.00316	17.2
250.01102	4.0
251.01830	3.9
257.04483	5.4
259.06049	6.7
269.04584	5.1
271.02298	1.8
271.06104	4.1
272.03079	3.0
273.04028	4.1
285.03958	9.7
287.01987	2.2
287.05606	8.4
297.04050	7.1
298.04803	2.4
311.02103	2.2
313.03537	21.1
315.01926	2.5
315.05106	15.0
316.02237	10.4
317.02859	5.2
327.04959	2.6
329.02802	4.3
331.04578	4.8
341.02902	19.2
343.04318	3.7
345.06158	3.1
359.04059	100.0
360.04355	9.8
361.05408	2.8
371.04202	5.6
389.05029	22.0
390.05490	2.5
405.08078	2.2
407.09860	5.6
433.07687	7.9
435.08994	2.3
446.08670	3.1
461.07239	20.0
462.07687	4.0
470.43423	2.0
479.08255	41.5
480.08490	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03326	1.1
58.00468	1.1
59.01249	100.0
60.01594	0.9
65.00201	0.3
67.01770	0.3
68.99711	0.4
69.03330	1.0
69.30209	2.0
71.01253	33.8
72.01576	0.5
72.99186	2.1
73.02818	33.6
75.00734	2.4
80.06510	0.3
80.75753	0.3
83.01257	8.5
85.02821	12.6
87.00743	1.9
87.04380	0.3
89.02318	10.5
93.03320	0.3
95.01260	4.0
97.02848	0.9
99.00751	2.9
99.04410	0.4
101.02322	30.6
102.02677	0.5
103.00286	0.8
113.02329	27.9
114.02681	0.7
115.00278	0.5
117.01851	0.5
119.03368	4.1
125.02338	1.6
129.01831	0.5
131.03383	3.4
134.03601	0.4
135.98317	0.5
137.02385	0.4
139.00230	0.4
143.03409	2.6
147.02904	0.3
149.04449	2.5
151.00302	0.6
155.03418	1.0
161.04472	7.5
165.01909	0.4
175.02377	2.5
179.05611	1.0
199.49634	0.4
203.05521	0.4
221.06747	0.5
256.03632	1.4
257.04120	0.3
284.03247	22.7
285.03598	3.4
299.05585	25.2
300.05936	2.8
331.02759	0.3
415.23306	5.3
416.23709	0.7
433.24695	0.8
475.08121	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	476.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06910	0.9
59.01244	7.2
61.98703	100.0
62.72969	1.0
71.01244	3.3
71.53549	0.8
74.98979	2.3
78.95758	1.4
79.01768	4.8
83.01252	1.3
85.02819	2.3
89.02322	1.3
93.03341	5.6
101.02329	1.3
106.06505	2.8
109.02805	2.7
113.02298	1.6
118.97974	21.1
121.02824	4.1
124.01516	3.1
135.04407	23.6
137.02324	11.9
138.03107	1.6
149.02325	2.3
150.05495	1.6
151.00261	1.5
152.03462	1.0
152.04752	1.2
152.99487	2.3
153.05469	1.3
153.89322	0.9
161.02428	1.4
163.03979	1.3
165.01822	6.0
175.03944	1.2
179.03412	17.2
192.07846	5.4
193.01358	2.2
193.05025	1.2
207.10210	30.2
208.10574	1.5
217.01334	1.1
218.01572	1.4
297.04227	1.5
301.03442	2.3
314.03955	1.1
315.05045	14.1
315.08734	16.7
315.16119	3.3
324.02371	1.4
338.08807	1.4
352.01660	1.9
389.06879	1.0
413.14511	22.5
414.14893	2.0
476.06946	2.8
476.32092	1.6
477.08887	1.6
477.14490	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	477.0674
Annotation	Quercetin 4'-glucuronide
Peak:m/z	Relative Intensity
52.66277	0.2
57.03354	0.3
59.01252	1.9
60.85815	0.2
63.02307	0.6
65.00258	1.9
67.01806	0.2
70.09487	0.5
70.09840	0.6
71.01321	2.0
72.99213	0.3
75.00819	0.9
83.00886	0.2
83.01334	0.8
85.02831	2.9
87.00824	0.9
89.02364	0.5
93.96712	0.2
95.01270	1.3
96.99253	0.3
99.00844	0.9
103.00343	0.3
107.01273	2.4
109.02841	1.4
111.00824	0.7
113.02340	3.1
117.01885	0.3
121.02850	1.6
123.00850	0.6
125.02332	1.1
133.02852	4.2
135.04416	2.9
136.98795	0.8
137.02327	1.9
139.00275	1.8
143.05008	0.3
147.00829	0.5
147.04488	0.5
149.02347	4.3
149.03355	0.2
151.00269	6.2
152.00653	0.3
155.04959	0.2
159.04485	0.9
161.02431	0.4
163.00345	0.3
164.01122	0.5
164.98254	0.9
165.01834	2.0
166.99760	1.1
171.04446	0.5
173.06013	0.5
175.00409	0.3
175.02452	0.7
175.04013	0.7
177.01846	0.4
178.99852	0.9
183.04558	0.7
185.06094	0.7
187.04028	0.9
188.04485	0.2
189.05545	0.3
190.99899	0.4
191.03488	0.8
192.00613	0.6
193.01370	0.4
195.04541	0.3
198.03355	0.3
199.04071	0.6
201.01894	0.5
201.05576	1.0
203.03534	0.7
211.03937	1.1
213.05626	0.2
214.02824	0.5
215.03517	1.4
216.03999	0.3
226.02490	0.3
227.03476	1.6
229.05113	1.2
231.02876	0.3
233.04570	0.7
237.01938	0.5
239.03474	0.8
243.02924	0.3
245.04596	0.6
255.02969	5.6
256.03604	0.6
257.04529	3.4
258.04776	0.3
259.02496	0.5
271.02426	0.5
272.03070	0.3
273.04037	1.1
283.02478	4.8
284.03027	1.0
285.03928	0.4
297.03781	0.3
299.02136	0.6
300.02750	1.3
301.03510	100.0
302.03857	9.3
313.03705	0.5
314.04254	1.8
342.03708	1.2
343.04495	1.0
357.06091	2.1
358.06476	0.4
371.04657	0.3
373.05481	0.9
387.06976	0.3
397.05121	0.4
477.06461	8.2
478.06851	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15878	0.4
55.01760	1.0
57.03328	1.3
58.00474	1.0
59.01249	100.0
60.01598	1.4
60.71645	0.4
61.98703	0.5
66.13228	0.4
69.03330	1.7
69.29012	0.4
70.40118	1.6
71.01251	37.1
72.01608	0.5
72.99178	2.0
73.02817	33.6
74.03159	0.6
75.00739	0.6
81.03361	0.5
83.01255	10.7
85.02820	8.0
87.00763	1.8
89.02314	9.4
93.03338	0.9
95.01278	1.6
97.02846	1.3
99.00788	1.0
101.02320	33.0
101.80092	0.4
102.02679	0.8
107.01268	0.7
107.16534	0.5
109.79177	0.4
113.02325	19.3
114.02715	0.8
119.03403	3.7
119.04903	2.9
119.68449	0.5
121.02855	1.2
123.00754	0.4
123.04473	0.6
125.02345	2.8
131.03398	3.9
133.02809	0.8
134.03687	0.4
135.04417	1.2
137.02380	0.6
143.03398	2.9
143.04965	0.8
145.02878	1.5
149.02354	0.6
149.04466	3.0
151.00307	1.4
155.03477	0.9
160.91653	0.4
161.02357	2.0
161.04462	6.2
161.05823	0.5
162.04854	0.5
162.25098	0.4
165.01929	1.2
165.68944	0.4
167.03465	0.5
169.38988	0.4
175.03993	0.5
179.05482	0.5
193.01392	2.1
194.78871	0.4
221.06697	1.0
253.08754	0.6
253.14618	1.9
271.02551	0.5
271.06149	0.6
285.04199	0.7
299.02170	0.8
299.05594	0.7
313.07211	7.1
314.07465	0.8
343.08072	2.3
415.23676	1.0
429.36819	0.4
431.13831	0.7
475.12726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
59.50855	0.4
70.91178	0.7
73.27604	0.4
78.95775	26.6
88.22392	0.3
121.99989	0.7
127.07487	0.4
128.92783	0.3
140.01111	6.8
152.99477	2.2
178.76823	0.4
191.92297	0.5
196.03728	13.9
197.03984	0.5
201.92735	0.3
214.04797	3.1
233.22647	0.5
247.16568	0.4
277.21710	100.0
278.22037	12.9
342.23523	0.4
357.44644	0.5
449.14737	0.4
474.26248	25.6
475.26654	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	475.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88866	0.2
55.01753	0.5
57.03315	1.7
58.00441	0.3
59.01249	8.5
65.00168	0.4
67.01763	0.2
68.99661	0.5
69.30423	1.9
71.01249	6.3
72.99171	1.4
73.02792	1.0
75.00745	2.9
79.01732	0.4
83.01227	0.8
84.02029	0.3
85.02822	13.6
86.03151	0.2
87.00756	2.2
89.02294	1.1
95.01266	4.0
95.47647	0.3
95.86179	0.2
99.00764	4.9
101.02290	0.5
103.00258	1.9
107.01262	0.4
109.02837	0.5
111.00744	0.5
113.02326	22.6
114.02617	0.7
115.00218	1.2
117.01815	1.3
121.02791	0.7
129.01845	1.2
133.02840	2.5
135.04393	0.6
139.00230	0.3
151.00259	1.1
157.01309	0.6
163.03899	0.3
165.01833	1.2
170.67166	0.3
175.00977	0.4
175.02400	5.7
175.03877	0.5
199.03876	0.7
200.04669	0.3
201.01851	0.3
211.03903	0.7
212.04752	0.4
213.05426	0.4
227.03455	0.8
255.02904	0.3
255.06592	0.4
256.03680	2.9
257.03983	0.5
271.05963	0.4
284.03244	45.5
285.03592	4.6
298.04517	0.3
299.05585	100.0
300.05933	10.0
341.06680	1.0
371.07614	0.7
392.11008	0.3
475.08765	7.2
475.15155	0.6
476.09332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1758
Annotation	Garcinisidone C
Peak:m/z	Relative Intensity
57.79521	0.4
58.96011	0.6
59.01244	4.2
61.98707	1.0
69.86083	0.5
70.85956	0.9
70.86298	0.9
77.09901	0.5
78.41955	0.5
93.03333	4.2
103.61228	0.5
108.02042	1.2
109.02886	0.5
110.30630	0.5
117.03348	32.6
118.03706	1.7
119.04915	78.2
120.05267	3.5
121.02839	10.6
122.03164	0.6
123.04399	2.0
131.04922	2.0
132.02086	1.5
133.02870	1.6
134.03654	5.1
135.04411	2.6
136.01569	3.0
137.02353	1.7
145.02853	84.5
146.03185	4.3
147.04402	1.9
148.01740	0.6
149.05975	2.9
151.03886	1.7
159.04414	1.5
159.08032	0.9
160.01564	2.1
161.02298	1.1
162.03111	0.8
163.03915	80.6
164.04250	4.0
173.05923	0.6
174.06769	1.2
175.03914	2.1
177.05464	3.1
179.03432	2.1
179.07019	1.1
191.10710	0.8
193.04961	2.8
209.11777	0.9
235.09644	1.4
239.07141	0.7
257.00748	0.6
264.07840	0.8
265.08667	1.5
266.09369	2.4
278.09479	1.1
279.10168	0.9
281.11911	2.3
292.07504	1.3
293.11679	0.7
323.48615	0.6
341.23276	1.0
358.65601	0.6
427.15698	2.3
457.16431	2.1
475.17603	100.0
476.17963	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01250	100.0
59.28859	0.7
60.01591	1.0
61.98706	1.3
62.62311	0.7
69.03317	1.0
71.01255	1.8
71.53456	1.5
75.00751	1.2
78.95775	1.0
85.02814	1.5
94.98681	0.8
99.00769	1.2
101.02297	2.0
109.02787	0.8
113.02326	1.4
114.05396	0.8
120.93104	0.8
121.02846	8.0
125.02319	1.5
137.02290	1.1
138.55191	0.7
146.88890	0.8
149.02361	1.3
153.71947	0.9
161.02202	0.9
161.04472	1.2
173.04567	1.0
257.08035	0.9
313.07077	1.6
401.08572	3.3
413.21768	1.4
429.22403	1.0
443.13376	1.4
455.13580	1.2
469.89597	0.9
473.27994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01587	1.2
71.01260	0.5
71.40308	0.2
73.02828	0.4
76.71183	0.2
85.02832	0.2
89.02300	0.3
101.02351	0.6
101.77176	0.2
113.02319	0.3
119.03333	0.3
125.74252	0.1
128.10075	0.2
156.73602	0.1
160.01428	0.2
161.04517	0.2
173.35873	0.1
203.07555	0.1
279.33200	0.1
285.04291	0.2
288.54684	0.1
307.93356	0.1
408.21997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53706	0.8
57.03315	1.3
58.00450	1.6
59.01247	22.1
61.51434	0.8
64.96673	0.8
71.01250	14.4
71.04846	0.9
71.19688	1.1
72.99184	1.3
82.09844	0.9
83.01238	0.9
85.02847	4.3
87.00768	0.8
89.02308	8.8
95.01269	1.0
99.08025	3.3
101.02312	9.1
113.02309	4.9
113.09573	1.2
119.03401	4.0
143.39699	0.8
192.05751	1.0
207.17442	2.3
265.21954	1.1
293.21219	2.6
311.22275	31.3
312.22641	3.3
314.53378	0.9
353.23288	1.4
378.68884	0.8
455.13385	2.0
473.27499	100.0
474.27890	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.2
59.01254	25.7
71.01250	16.7
71.04895	1.6
72.99170	2.4
73.02804	1.9
74.42227	0.8
78.12154	0.9
78.95750	0.9
83.01251	1.7
85.02821	4.4
85.06461	1.3
86.20157	1.0
89.02331	11.1
95.01289	1.4
101.02322	10.6
113.02324	3.9
119.03376	3.7
121.02888	1.4
139.25020	0.9
153.12810	0.9
163.03882	1.6
179.14366	2.2
225.14905	2.4
293.21155	7.1
311.22256	20.1
312.22607	2.1
355.71753	1.1
367.20963	1.1
392.23624	0.9
397.09192	1.3
417.02222	1.0
455.13315	2.4
455.26685	2.1
473.27548	100.0
474.27872	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92768	0.3
63.20522	0.2
69.78713	0.3
70.39666	0.6
70.39992	0.3
77.79248	0.3
78.95774	100.0
79.87018	0.2
82.71056	0.2
83.05385	0.2
96.96841	7.2
140.01099	0.5
150.97980	0.4
152.99490	16.3
170.37024	0.3
171.00555	18.1
172.00871	0.3
214.04660	0.3
277.21793	1.7
322.08008	0.3
400.22406	1.7
444.52225	0.3
474.26239	49.2
475.26572	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84325	0.2
56.26588	0.2
57.03320	4.6
59.01250	100.0
60.01598	1.2
69.03323	0.5
70.01853	0.9
71.01256	2.0
73.02831	0.8
79.75922	0.2
83.01261	0.4
85.02845	0.9
89.02335	0.5
93.10755	0.2
99.00776	0.5
101.02349	1.0
109.02861	0.2
109.06495	0.7
113.02374	0.7
113.80994	0.2
119.03454	0.3
119.04924	0.7
121.06469	0.3
125.02375	0.4
133.02869	0.3
135.04448	0.2
137.09644	1.3
139.07617	0.4
145.02901	0.3
149.02362	0.3
149.09685	0.4
151.07561	0.3
152.99428	0.3
160.35922	0.2
161.02379	0.6
163.03908	0.5
192.11497	1.9
203.05629	1.0
207.13841	25.8
207.27292	0.2
208.14148	2.2
211.13454	0.8
243.04816	0.3
249.15007	0.5
267.15942	0.2
302.11423	0.2
303.10797	0.2
353.65063	0.2
411.20511	0.6
471.14529	0.2
471.22372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51127	0.7
59.01229	2.1
59.33791	0.7
68.16718	0.8
70.02847	6.7
70.80910	1.9
71.01250	3.8
71.02377	1.7
72.00765	3.6
78.95760	0.9
85.02819	1.2
87.00747	1.9
89.02325	1.7
95.02391	6.3
96.00795	1.0
96.95932	1.3
100.06197	0.7
101.02311	1.6
111.01885	2.7
113.03448	32.9
114.01852	28.4
115.00233	1.8
131.04510	100.0
132.02910	1.9
132.04898	2.2
133.01312	2.6
145.58775	0.7
199.03958	0.7
341.10901	3.4
473.11630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44840	0.6
55.42335	0.5
55.94101	0.5
59.01251	100.0
60.01588	1.0
65.40929	0.5
71.51987	0.8
78.95782	0.6
134.04633	2.1
145.02948	0.5
195.23843	0.7
381.66113	0.7
473.32864	2.8
474.33548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01589	1.2
63.60717	0.2
71.01252	1.8
73.02827	1.2
89.02298	0.4
98.20522	0.4
101.02339	1.7
113.02348	1.4
114.24992	0.2
119.03406	0.2
125.02335	0.5
148.80281	0.3
161.04544	0.3
223.01172	0.2
251.16739	0.2
426.99896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94579	0.2
59.01250	100.0
60.01591	1.4
61.98702	0.5
69.03317	0.2
70.86275	0.4
71.01254	2.9
72.99201	0.2
73.02822	2.9
75.00736	0.3
79.95612	0.5
83.01245	1.0
85.01736	0.2
85.02805	1.0
87.00770	0.2
89.02303	1.1
96.95893	0.4
97.02844	0.2
98.02418	0.2
101.02324	3.3
113.02328	1.5
117.03303	0.2
119.03400	0.5
119.04932	0.6
120.42112	0.2
121.02826	0.3
125.02303	0.3
131.03392	0.3
137.02385	0.3
140.61649	0.2
143.03429	0.5
145.02914	0.5
149.04512	0.5
152.02225	0.2
161.02342	0.3
161.04465	0.9
163.03970	0.6
167.03471	0.2
179.03452	0.2
190.02698	0.2
196.02473	0.3
201.35110	0.2
205.05119	0.3
210.75447	0.2
249.14981	1.1
267.11258	0.2
267.16211	0.2
283.18372	0.2
295.38135	0.2
383.07388	0.2
410.34000	0.2
411.21304	0.2
418.42059	0.2
429.21848	0.2
471.21976	0.5
471.34711	0.2
472.11206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.5
61.98692	0.6
67.58259	0.5
67.61484	0.6
83.01265	1.7
119.04919	0.7
137.02341	3.4
137.11148	0.6
138.03125	1.1
144.50064	0.6
150.03110	2.5
151.07521	0.8
163.03918	1.1
165.01833	6.5
166.02600	3.1
167.03381	1.8
170.02121	1.4
178.02582	4.2
179.03401	14.7
179.06947	0.7
180.03781	0.6
182.02158	3.6
195.02890	7.2
203.07060	0.8
205.04977	1.5
205.08728	0.7
206.05756	1.8
207.02919	33.4
207.06555	2.7
208.03392	2.0
221.08128	31.9
221.10327	1.2
222.08548	3.1
231.06522	0.8
233.08118	1.1
235.06009	3.3
238.65286	0.7
248.06914	1.0
249.07658	34.0
250.08424	100.0
251.08795	8.3
263.09274	1.5
264.09961	4.1
265.10788	88.0
266.11118	7.4
356.36423	0.7
409.15082	2.2
410.15228	0.8
454.35306	0.7
469.17130	62.8
470.17484	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	465.27
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.2
59.01250	24.5
71.01250	15.4
71.04884	4.2
71.53125	1.6
72.99186	1.9
73.02816	1.4
75.00745	1.1
78.95771	17.6
83.01276	1.5
83.04867	1.6
85.02812	3.1
89.02313	11.2
95.01271	1.1
96.95888	2.0
96.96860	1.9
101.02303	8.2
101.05960	3.1
108.19879	1.0
113.02328	4.1
119.03342	4.9
133.02823	10.6
152.99475	33.4
153.99832	1.1
155.14322	7.1
171.00591	1.6
177.01836	3.0
185.15329	5.7
199.16928	2.6
239.20164	1.0
257.21323	3.7
262.40286	1.1
285.03790	2.2
285.20715	13.2
286.04233	1.4
303.21741	25.3
304.22134	3.5
465.27087	100.0
466.27451	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	465.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99308	0.2
53.34416	0.2
55.90993	0.2
59.01255	1.7
61.98691	0.3
65.00186	0.3
68.04218	0.2
69.03329	0.7
71.01239	0.6
71.53185	0.2
73.02791	0.2
78.95751	0.2
85.02809	0.3
95.01280	0.2
95.14695	0.2
96.45915	0.2
96.65982	0.2
97.02807	0.3
99.11319	0.2
101.02318	0.3
102.27695	0.2
105.00029	0.2
107.01269	0.3
107.52232	0.2
109.02797	0.2
116.04914	0.2
119.04908	0.4
121.02836	0.3
133.02873	0.2
137.34920	0.2
147.04431	2.5
148.98990	0.4
151.00273	1.3
159.04422	1.4
161.02287	0.2
161.06023	0.4
163.03873	0.2
167.03357	0.3
183.08060	0.8
184.08832	0.5
185.00806	0.3
185.09639	0.8
187.07573	1.6
189.09244	0.2
191.03462	0.7
201.09145	5.5
201.12723	0.2
202.09921	17.2
203.03404	0.3
203.10237	1.1
205.04962	0.3
205.08649	2.8
207.10213	1.5
211.13380	0.5
217.12276	8.7
218.12663	0.8
227.06923	0.3
227.10738	0.4
229.08615	0.4
231.06613	0.4
233.08069	0.2
242.32672	0.2
245.08156	1.7
246.08939	22.0
247.09216	1.9
261.11295	100.0
262.11627	8.4
283.02612	0.4
285.04007	0.3
298.04703	1.0
303.12320	0.5
313.07117	0.5
385.07681	0.2
399.75720	0.2
401.33200	0.2
412.55896	0.2
465.07785	0.3
465.17776	0.4
465.25665	0.3
473.56564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03326	5.2
59.01248	12.8
70.04502	8.3
70.04898	6.5
71.01253	4.7
83.01286	5.6
85.02822	5.2
101.83566	3.4
107.01273	6.2
109.02855	5.2
121.02834	3.4
123.04434	4.5
125.02337	91.8
139.73358	3.5
149.02335	10.8
151.00288	27.0
153.01863	19.7
154.98726	3.1
163.00307	7.0
165.01823	7.0
167.03438	4.0
175.02580	3.7
175.03969	14.6
177.01848	25.2
178.99745	16.3
189.05620	4.1
191.05501	12.9
192.99603	4.3
199.03969	6.4
217.04938	11.5
230.22194	3.5
241.05022	5.4
266.37796	3.5
275.05585	10.9
285.04047	97.4
286.04449	9.4
303.05087	100.0
304.05478	10.0
341.05069	4.7
345.06100	4.0
355.06842	4.0
385.06131	4.8
447.09464	5.3
465.10074	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	463.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00382	0.6
55.01758	1.0
57.03312	1.8
58.00451	1.0
59.01252	24.7
61.98695	1.3
69.03313	1.5
71.01252	15.4
71.04879	3.4
72.99170	2.2
73.02813	2.2
75.00729	0.7
79.01742	1.7
83.01237	2.3
85.02817	3.8
87.00729	1.8
89.02316	11.2
90.98478	0.6
95.01276	1.2
97.13631	0.6
99.08032	2.0
101.02306	8.8
107.01284	1.4
109.02786	1.2
113.02326	4.6
115.07533	1.0
118.53197	0.7
119.03382	3.1
119.04871	0.7
120.04029	0.7
121.45699	0.7
125.02303	1.7
125.09600	2.3
129.09106	8.5
135.04422	11.0
137.02365	1.5
139.03911	1.0
149.02263	0.7
151.00217	1.7
153.77980	0.6
157.12239	0.8
161.02287	1.1
163.03844	0.9
165.01859	2.0
177.01822	1.8
179.03401	1.5
181.05040	0.8
207.02908	5.6
209.11723	1.0
225.87103	0.7
237.04028	1.2
241.14536	0.7
255.02888	2.2
255.19702	0.9
271.02338	3.1
283.19217	1.0
285.03983	1.2
285.20697	0.8
286.04184	1.1
287.04526	2.1
297.20599	1.3
300.02835	4.2
301.03522	4.2
301.06403	0.8
301.20197	30.8
302.20584	2.4
343.08136	9.9
343.20813	0.8
344.08441	0.9
373.09225	2.0
463.08508	4.0
463.25494	100.0
464.09320	1.7
464.25812	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	463.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01255	0.5
70.42402	0.6
72.99182	0.2
78.95775	0.4
93.03360	0.2
95.04913	0.3
105.03345	0.3
105.98258	0.2
107.04909	0.8
108.02107	0.2
113.09587	0.4
117.03336	1.3
123.04428	0.4
128.03268	0.2
132.02048	1.0
133.02849	20.4
134.02299	0.2
134.03687	3.6
135.04413	37.3
136.04732	1.8
137.02357	0.9
149.02269	0.2
150.03131	0.2
152.99486	0.7
160.01553	0.2
161.02347	100.0
162.02684	4.7
178.02623	0.3
179.03421	12.6
180.02304	0.2
180.03735	1.0
209.11760	0.4
221.19070	6.5
221.21249	0.3
222.19324	0.5
239.20090	0.3
255.02936	0.3
265.18063	4.0
271.02490	0.5
283.19113	4.2
284.19418	0.6
287.04724	0.3
300.02844	0.6
301.03589	0.3
301.20187	13.5
302.20554	1.5
445.22238	1.1
463.23355	57.9
464.23627	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	463.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96497	0.3
57.03337	1.0
59.01252	10.9
61.98698	0.5
65.00227	1.0
69.53704	0.9
69.54118	1.3
71.01251	4.6
71.01602	0.3
71.77557	0.3
72.82240	0.3
72.99209	0.6
73.02829	1.0
79.01787	1.5
80.02582	1.3
81.03358	1.0
83.01289	1.6
83.04893	4.8
84.02058	1.3
85.02831	3.8
86.03136	0.4
87.00774	0.6
89.02316	3.3
93.03372	0.4
95.01288	0.5
95.04940	0.6
97.02858	0.5
99.00751	0.5
101.02336	3.8
107.01273	2.1
107.04932	1.2
108.02079	1.1
109.02863	1.2
111.00790	1.0
111.04409	0.7
113.02329	3.1
115.00242	0.4
119.03426	1.1
119.04904	2.6
121.02865	1.1
123.04456	0.6
125.02341	3.7
125.05994	0.6
129.01836	1.5
133.02856	0.8
134.03653	0.7
135.04416	12.5
135.08073	0.7
136.04779	0.5
137.02370	0.4
139.03917	1.5
149.02332	2.0
151.00269	3.6
151.03937	1.0
153.01878	0.6
156.58952	0.4
160.01505	0.4
161.02376	0.8
161.04495	1.5
163.00244	0.6
163.03926	3.0
163.11192	3.8
165.01849	3.6
165.05438	0.4
165.12779	2.0
167.03398	0.5
175.03870	0.6
177.01808	1.0
178.99799	1.0
179.03415	3.6
179.04814	0.5
179.06836	0.4
181.05043	0.9
181.12294	0.5
182.03731	0.3
191.10724	0.9
199.13319	0.7
205.03458	0.6
207.02928	6.1
208.03290	0.7
209.11771	100.0
210.12106	6.9
223.04532	1.5
226.02661	0.6
227.03468	0.8
227.12842	18.4
228.13168	1.7
237.03983	1.6
243.02925	2.9
245.04509	0.4
253.09264	16.4
253.11908	0.8
254.02165	0.6
254.09598	0.7
255.02957	5.3
257.08093	1.0
271.02493	11.7
272.02832	1.3
285.04047	3.6
286.04446	3.2
287.04623	6.1
300.02744	18.4
301.03534	13.7
301.07028	2.1
302.03815	1.2
311.07791	0.4
343.04654	1.0
343.08188	12.7
344.08423	1.4
373.05032	0.5
373.09219	2.3
385.09512	0.5
445.07733	0.4
463.08597	17.4
463.21097	0.6
464.08838	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	463.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67425	1.2
59.01250	6.6
59.49865	1.1
61.98695	1.4
63.03716	1.2
70.67421	2.0
70.67757	1.7
76.84375	1.3
78.49654	1.1
78.95776	8.0
79.95615	1.7
84.10252	1.6
88.79971	1.2
95.44559	1.3
96.95877	4.4
101.02321	1.4
107.01244	2.7
108.02042	1.9
109.02863	3.1
113.02294	1.2
119.04892	3.7
125.02306	1.4
133.02859	11.3
134.05247	1.2
135.04413	12.8
135.98225	2.2
149.02324	2.7
151.00275	10.1
152.99486	11.8
158.09346	1.4
163.03806	2.3
175.03934	2.4
177.01834	1.5
187.03946	1.7
199.03865	3.6
202.99774	11.5
204.00110	1.2
209.11739	5.5
217.04890	1.5
227.03464	2.4
243.02888	3.2
255.02954	43.4
256.03714	35.6
257.04236	3.0
271.02466	6.7
283.02475	65.5
284.03244	100.0
285.04016	95.0
286.04416	10.0
287.04565	3.8
300.02719	11.8
301.03473	6.2
321.04092	1.6
327.05048	5.0
339.05023	4.6
343.04715	1.5
353.06976	1.4
407.21484	1.3
433.09076	4.1
437.38428	1.2
445.09222	3.7
463.10196	22.7
463.20444	5.8
463.30994	1.6
464.10141	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1034
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.40390	0.5
57.03305	0.9
59.01252	6.8
60.01604	0.5
61.98699	3.2
63.02264	1.6
65.00201	4.7
70.08817	0.9
70.09162	1.2
71.01249	1.2
72.99179	0.4
78.95779	0.7
83.01270	2.7
85.02843	0.6
87.00769	0.5
93.03343	0.8
96.24231	0.4
96.95905	0.9
98.02295	0.7
101.02318	1.0
107.01270	6.8
108.02037	0.5
109.02818	1.4
118.22676	0.4
121.02879	0.8
124.01552	1.3
125.02341	4.1
131.84607	0.4
133.02817	0.7
135.04401	0.6
137.02347	0.6
149.02301	0.7
151.00275	19.9
152.00867	0.7
154.02516	0.6
164.01100	1.0
165.01846	1.4
169.01311	0.5
173.02333	0.6
196.00180	0.5
196.02417	0.8
199.13467	0.5
209.06102	0.5
209.11742	2.6
211.03880	0.5
213.01804	0.6
214.03633	0.5
215.07066	3.0
225.05490	1.7
227.03467	1.2
227.12862	1.5
235.03925	1.0
239.03471	1.1
240.04390	0.8
242.02264	0.5
243.02963	0.8
251.03461	0.7
253.05066	2.9
255.02933	2.7
256.03641	0.7
263.03497	1.4
263.07068	0.6
264.04156	0.6
267.02948	1.0
267.06506	0.6
268.03735	2.2
269.04572	1.2
271.02393	3.1
279.03064	1.0
280.03738	1.5
281.04535	11.4
282.05124	2.3
283.02570	1.9
283.06094	3.4
284.03326	0.6
285.04047	1.5
286.04431	1.2
287.04703	1.5
293.40814	0.5
295.02551	1.2
295.06125	1.1
296.03613	0.8
296.06860	9.3
297.04199	1.0
297.07639	1.6
299.02191	0.5
299.05734	0.6
300.02753	3.6
301.03375	3.2
305.04605	0.9
305.08194	0.7
307.02573	1.1
311.01953	6.7
311.09232	1.4
312.02750	2.9
312.06061	0.8
319.06155	1.0
321.03989	1.3
322.04776	1.4
323.01950	1.2
323.05545	2.0
324.02652	2.4
325.03522	8.7
326.04156	2.3
327.04605	0.7
331.06171	0.5
333.07614	0.9
336.06265	0.7
337.07239	0.8
338.04315	1.6
339.05035	1.2
343.05542	0.5
347.05673	2.2
348.06198	0.7
349.03366	0.9
349.07190	1.9
353.06577	3.2
359.05661	1.3
360.06204	0.5
361.07196	1.0
365.06570	1.6
371.05606	1.3
375.05191	0.5
377.06830	0.8
387.05130	3.3
388.05719	1.7
389.06818	1.8
391.04425	0.7
403.08505	0.5
404.05209	0.7
405.06284	1.4
415.04288	2.3
416.05188	2.0
431.07928	0.8
432.04614	3.9
433.05606	12.0
434.06104	1.7
447.07272	5.6
448.07990	17.3
449.08353	2.1
463.10333	100.0
463.24973	1.9
464.10663	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	463.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
65.00195	1.8
70.44160	1.8
78.30972	0.5
83.01270	1.0
107.01256	4.0
125.02321	1.0
132.02074	1.1
133.02841	13.5
134.03206	0.9
149.02412	2.9
151.00287	7.9
152.99509	0.8
171.04451	0.7
175.03926	4.6
183.04385	0.9
187.03877	0.8
197.05905	0.8
198.03093	0.7
199.03905	3.4
201.01869	1.7
207.96826	0.6
209.11787	1.1
211.03912	1.0
217.04982	2.0
226.02580	0.7
227.03531	3.0
228.04045	0.6
241.05096	1.2
243.02916	1.0
255.02965	34.0
256.03732	30.0
257.04373	2.8
267.02924	0.6
271.02515	1.3
283.02481	47.2
284.03244	74.6
285.04019	100.0
286.04361	8.6
298.04935	0.8
300.02798	3.3
301.03491	1.7
326.04315	1.2
327.05045	0.8
403.75928	0.6
405.09418	0.9
433.09271	1.4
445.09198	2.8
446.09396	0.6
463.10394	14.0
463.20828	0.7
464.10681	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	463.0884
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.31910	0.3
63.02265	0.6
65.00193	1.0
71.07027	0.5
83.01263	1.0
88.34000	0.3
93.03352	0.5
107.01263	2.8
108.02062	1.2
109.02843	1.0
119.01256	0.5
121.02840	2.6
124.01562	0.4
135.00786	0.6
143.36632	0.3
148.01541	1.5
149.02319	0.6
151.00276	12.4
152.00734	0.5
159.04338	0.4
163.00272	2.5
164.00987	0.6
169.01328	0.7
171.04436	0.4
178.99788	6.0
187.03889	0.6
192.00594	0.4
199.03961	1.0
201.05475	0.5
203.03493	0.4
211.03941	1.0
213.05298	0.3
215.03383	0.6
216.04144	0.8
226.02718	1.7
227.03378	3.3
228.04115	0.3
229.04880	0.6
239.03561	0.3
243.02963	10.9
244.03387	1.3
245.04373	1.4
254.02209	3.0
255.02966	22.7
256.03372	1.9
271.02469	56.7
272.02905	6.7
273.04089	1.1
273.45932	0.3
283.02667	1.5
284.03201	0.3
285.04169	0.5
286.04440	0.3
287.04581	0.4
299.01993	1.3
300.02737	100.0
301.03448	47.6
302.03857	3.9
343.04617	0.5
463.08810	48.5
464.09128	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	463.0882
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
57.12239	0.7
62.67575	0.6
65.00187	2.3
71.39947	1.0
79.83580	0.7
81.03318	0.9
91.01786	1.1
93.03343	1.6
95.01240	0.9
97.02840	0.9
103.52449	0.8
107.01237	1.7
109.02838	8.0
119.01242	0.8
121.02869	3.9
123.00755	1.5
125.02303	2.8
133.02844	14.1
134.03252	0.7
135.04411	4.3
136.98683	1.2
137.02382	4.1
139.03900	1.1
145.02840	1.4
147.00766	0.8
149.02335	9.8
150.03004	1.1
151.00279	2.7
151.03876	3.3
153.01825	2.1
159.04433	0.8
161.02338	3.3
163.00262	3.9
163.03909	3.0
164.01057	1.1
165.01839	6.8
167.03352	0.8
170.19185	0.8
173.02266	0.8
175.00258	1.0
175.03888	1.2
177.01836	4.2
178.99748	1.6
179.03458	3.5
187.03952	1.4
189.01804	2.6
190.99667	0.7
191.03381	2.1
193.01340	5.7
195.02934	1.3
199.03955	1.1
201.01836	1.9
203.03465	1.3
205.01407	1.2
207.02913	4.9
211.03903	1.1
213.05481	1.3
215.03355	2.9
217.01321	0.9
219.02818	0.9
221.00890	4.2
223.02391	0.9
225.05507	3.0
226.06322	0.9
227.03365	2.5
227.06979	1.1
228.04126	1.0
229.05090	0.8
231.02960	1.8
233.00830	0.9
239.03368	0.7
240.04230	0.9
241.04967	2.1
243.02922	1.9
243.06653	1.6
253.04971	1.4
255.02983	1.3
256.03482	1.4
257.04471	1.9
269.04562	5.2
271.02548	0.9
271.06021	1.8
281.04712	1.2
283.02606	0.8
285.03738	0.9
286.04453	0.9
297.04062	10.3
298.04553	1.4
299.02267	1.5
299.05505	9.0
300.02740	18.1
301.03506	5.9
302.04028	0.9
312.02942	0.8
313.03525	13.4
314.04178	5.0
315.04874	6.5
325.03378	2.9
327.05002	2.1
329.06573	0.8
330.03397	0.8
341.02927	1.1
343.04562	100.0
344.04932	11.7
355.04547	2.7
373.05600	19.4
374.05701	1.3
385.05673	1.9
409.05792	1.3
445.07785	5.9
446.08179	1.4
463.08780	54.3
464.09094	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.6
63.02245	1.2
65.00170	1.3
69.44733	0.6
71.01215	2.5
72.99164	0.8
73.02825	0.7
74.02334	0.5
75.00713	2.2
82.67693	0.5
83.01244	1.5
85.02785	2.0
87.00713	0.8
88.05933	0.6
89.02267	0.7
92.02464	0.6
95.01232	0.7
98.19756	1.4
101.02303	1.1
107.01228	1.5
113.02303	2.1
119.03399	0.5
121.02808	1.3
124.27171	0.7
125.02335	0.9
128.46521	0.6
133.02852	5.4
134.03590	0.8
135.02855	1.6
135.04399	5.4
145.02814	0.6
147.04463	0.7
149.02286	1.8
151.00261	4.5
161.02327	1.3
163.00226	1.3
165.01852	0.7
175.03938	1.3
178.99651	0.8
183.04451	0.8
189.98994	1.8
193.01224	0.7
199.03854	2.0
201.01949	0.8
211.03847	0.9
213.05450	0.8
217.04982	0.8
227.03441	1.6
255.02959	79.7
256.03317	6.4
257.04440	0.8
257.51868	0.6
268.03958	1.2
269.04538	4.5
270.04913	0.9
271.02625	1.1
281.04605	1.0
283.02469	60.1
284.03079	13.7
285.04025	65.4
286.04361	7.0
287.52957	0.6
297.04056	14.7
298.04785	22.2
299.05573	31.3
300.06082	3.3
309.04230	0.7
313.03577	5.0
325.03564	3.3
326.04218	0.9
327.05154	1.3
328.05435	0.6
341.02966	0.7
341.06854	0.8
343.04471	0.7
446.08524	19.0
447.09085	2.6
461.11011	100.0
462.11310	13.9
484.38107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00464	0.5
59.01248	100.0
60.01580	1.4
61.98706	1.6
65.00207	0.6
69.03329	0.9
69.35899	3.7
71.01254	3.9
72.99177	0.6
73.02827	2.5
75.00781	0.6
78.95777	1.4
79.88651	0.5
83.01270	1.9
85.02820	2.8
87.00734	0.6
89.02341	1.4
91.03883	1.3
95.04993	0.6
97.06467	0.9
98.19749	0.9
99.00755	0.8
101.02311	2.4
107.01246	0.7
108.56078	0.5
109.02840	0.6
113.02319	2.5
119.04921	1.2
121.02844	0.7
125.02386	0.9
133.02806	2.7
147.87790	0.5
149.02394	0.5
151.00308	1.7
153.12758	11.3
154.13091	0.7
161.04488	0.7
163.03900	1.1
171.10176	2.9
173.04581	0.5
175.03935	1.2
179.10701	4.1
197.11766	22.4
198.12119	1.2
199.03934	1.0
211.13374	0.6
229.14398	0.8
232.17523	0.5
241.05067	0.5
243.03056	0.7
284.03265	0.8
285.04028	40.2
286.04498	4.1
291.19604	0.7
299.05646	1.3
309.20859	1.3
327.05118	0.6
327.21762	8.6
328.22061	0.7
461.07074	3.8
478.61005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01250	100.0
60.01606	0.8
70.51415	1.8
88.95143	0.7
91.41168	0.8
98.20485	0.6
107.64284	0.6
112.01573	2.5
113.02330	1.5
152.49782	0.7
157.55409	0.6
188.78000	0.7
285.04001	9.4
286.04245	1.2
327.29150	1.4
347.26062	0.9
349.27579	2.8
366.28824	0.9
369.48029	0.8
390.40652	0.6
443.27985	1.7
461.07599	1.1
461.29010	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	461.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08031	0.3
59.01251	100.0
60.01590	1.4
70.01129	0.3
70.01462	1.4
78.97822	0.3
83.04971	0.3
88.47385	0.4
89.02274	0.4
91.03904	1.0
130.73773	0.3
163.81146	0.3
183.16779	0.3
187.24225	0.4
207.10222	0.4
285.04041	4.6
286.04431	0.8
327.29169	2.0
328.29343	0.4
461.06879	0.4
461.29355	0.9
474.89816	0.4
476.91959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0727
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
59.01057	0.5
59.01392	0.9
63.02088	0.2
63.02398	0.2
64.99982	0.3
65.00346	0.5
67.61719	0.1
68.99794	0.1
69.18335	0.7
69.18739	0.3
71.00969	0.3
71.01415	0.7
72.98921	0.2
72.99319	0.2
73.02940	0.2
75.00906	0.4
83.01440	0.5
85.02431	0.4
85.02997	1.5
87.00932	0.4
89.01976	0.1
89.02434	0.3
95.01420	0.3
97.03001	0.3
98.20580	0.2
99.00939	0.6
101.02496	0.3
105.03503	0.2
107.01462	1.4
113.01640	0.3
113.02516	1.5
115.00402	0.1
117.01971	0.1
119.03587	0.1
121.03034	0.4
125.02454	0.2
127.66175	0.1
129.01949	0.2
130.51630	0.1
131.03642	0.1
132.02219	0.1
133.01927	0.7
133.03032	8.7
134.00127	0.1
134.03357	0.3
135.04591	0.4
139.87801	0.1
147.04506	0.1
149.02534	1.6
151.00273	5.2
152.00739	0.2
153.01912	0.1
169.06635	0.1
171.04625	0.3
173.06024	0.1
175.02518	0.5
175.03899	2.5
176.04358	0.1
177.01947	0.2
179.03595	0.2
181.12357	0.2
185.06142	0.3
189.05617	0.2
193.67711	0.1
197.06145	0.3
198.03268	0.4
199.03932	2.2
201.01831	0.7
207.10178	0.7
211.04002	0.2
212.04697	0.2
213.05357	0.5
215.03537	0.3
217.05025	1.1
223.04109	0.3
225.11261	1.4
226.02832	0.1
227.03566	0.2
229.05066	0.2
239.03491	0.2
240.04250	0.1
241.01331	0.1
241.04993	0.9
242.05452	0.1
243.02959	0.6
243.12379	0.2
253.09366	0.1
255.03043	0.5
256.03726	0.6
257.04510	0.3
267.02939	0.2
283.02499	0.5
284.03247	2.2
285.04019	100.0
286.04367	8.6
297.03806	0.2
298.04852	0.3
299.05533	1.5
300.02774	0.2
327.04990	0.3
399.06580	0.2
461.06635	7.6
461.19272	0.5
462.07135	1.0
479.07935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45989	0.5
57.03288	0.7
59.01177	3.4
63.02210	0.6
65.00128	2.3
68.45273	0.6
69.40887	3.0
71.01171	3.7
75.00686	0.7
83.01207	0.8
85.02824	3.1
87.00686	1.0
95.01209	1.2
97.02748	0.6
99.00710	0.6
107.01174	1.5
108.02024	0.9
109.02780	0.9
113.02242	1.9
115.00172	1.5
121.02766	1.5
129.01672	0.6
133.02859	6.8
135.04399	0.7
145.02774	0.9
146.03700	0.6
149.02289	1.1
149.99409	0.6
151.00237	4.0
152.00998	1.4
153.01715	0.6
165.01859	3.4
166.02087	0.6
168.44186	0.5
171.04315	0.9
175.03824	2.1
179.03416	0.8
179.06955	1.6
183.04379	1.3
187.03847	0.7
197.05879	0.8
199.03883	3.1
200.04633	2.1
211.03981	2.9
212.04572	1.2
213.05421	1.2
215.03412	0.6
217.04907	1.4
227.03421	5.9
228.04080	2.0
239.03566	2.8
241.04987	1.6
255.02988	29.2
256.03680	8.4
257.04239	0.6
267.02991	0.7
270.05228	1.2
282.01682	0.9
283.02484	26.5
284.03259	68.4
285.04022	92.0
286.04370	8.4
297.04224	3.0
298.04822	29.3
299.05603	100.0
300.05997	10.7
315.08868	2.9
327.05161	1.1
327.08344	2.7
341.06769	0.8
357.06390	1.0
446.08588	3.7
461.11130	71.3
462.11453	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	0.5
55.01863	0.4
59.01085	1.1
59.01420	1.0
63.02165	0.3
69.63705	1.4
71.01100	0.6
79.01582	0.8
83.01127	0.3
85.02637	0.8
89.02183	0.3
97.02678	0.5
99.00590	0.6
105.03174	0.3
107.01118	0.6
107.04749	0.5
109.02620	2.0
111.04247	0.6
113.02102	1.1
113.02900	0.5
121.02674	0.6
128.03218	0.6
131.04735	0.3
133.02625	13.4
133.03726	1.3
133.06346	0.6
134.03159	0.5
135.04182	2.9
135.05304	0.6
137.02171	0.5
139.03683	0.8
145.02670	0.4
147.04260	0.7
149.02132	1.1
149.05734	0.9
151.00038	0.9
151.03694	0.9
157.06433	0.3
159.04236	0.3
161.02156	0.8
161.05724	0.9
163.00180	0.4
163.03683	1.0
165.01721	0.6
175.03926	2.9
177.01866	2.6
177.05415	2.2
179.03174	1.2
181.12099	0.3
185.05850	0.4
187.03780	0.5
189.01688	0.4
189.05292	0.4
191.03244	0.4
199.03737	0.9
201.01634	1.1
205.05009	1.5
207.02937	1.9
207.09975	1.2
209.05925	0.5
211.03822	0.6
212.04594	0.5
213.05478	1.5
215.03152	0.4
217.04758	0.8
225.05412	0.5
225.11285	2.8
226.06068	0.5
227.03236	0.4
229.04735	0.5
238.06084	0.5
239.06888	0.9
241.04776	0.7
242.05630	0.3
243.02887	0.6
243.06464	0.3
249.05452	0.4
251.06932	0.4
253.04848	0.8
254.05675	1.1
255.03056	0.4
255.06342	0.9
264.04257	0.3
265.04834	0.6
267.06622	1.1
269.04416	0.8
269.07901	0.6
283.06055	1.6
284.06390	0.4
285.04047	24.3
286.04300	2.2
295.05960	0.8
297.04010	1.6
298.04807	13.3
299.05536	8.1
300.06000	0.7
311.05612	16.0
312.06314	7.8
313.07156	19.7
314.07565	1.8
323.05560	0.9
325.07150	2.4
326.07336	0.4
338.04391	0.7
339.05072	1.2
341.06641	100.0
342.07004	11.8
342.11230	0.4
353.06631	3.0
355.08304	1.2
371.07703	26.3
372.07990	3.0
383.07681	2.4
384.08395	0.5
407.07800	1.5
461.11203	14.4
461.20016	1.9
462.11566	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0723
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03311	0.5
59.01247	2.3
63.02274	1.5
65.00189	1.1
66.01681	0.3
69.40665	1.9
71.01243	2.5
72.99166	0.4
75.00745	0.7
83.01256	0.5
85.02821	3.4
87.00739	1.1
89.02292	0.5
95.01268	0.8
95.25939	0.3
98.19750	0.5
99.00740	1.1
99.26116	0.3
103.00249	0.4
103.11019	0.3
105.03348	0.4
107.01270	2.5
109.02824	0.8
113.02338	3.0
115.00225	0.5
117.01852	0.4
121.02843	0.8
130.26776	0.3
133.02847	7.8
149.02295	1.4
151.00276	3.9
171.04411	0.4
175.02461	0.6
175.03920	2.2
177.01839	0.7
185.05920	0.4
193.61157	0.3
193.73941	0.3
198.03056	0.5
199.03946	2.2
201.01874	0.8
213.05406	0.6
215.03333	0.6
217.05009	1.1
229.04947	0.4
241.04999	1.0
243.02925	0.4
257.04648	0.4
264.65067	0.3
283.73138	0.3
284.03290	0.5
285.04034	100.0
286.04376	10.5
297.03882	0.5
327.05045	1.0
334.90921	0.3
356.76709	0.3
357.06152	0.8
411.68561	0.3
461.07263	8.2
462.07495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86305	0.5
55.01765	0.8
57.03313	1.1
58.00450	0.9
58.51283	0.6
59.01250	100.0
59.50824	0.5
60.01590	1.5
61.98713	0.6
64.16864	0.5
69.03329	1.1
71.01253	27.4
72.01588	0.5
72.99181	1.2
73.02820	25.2
74.01563	0.6
83.01253	7.4
85.02817	6.1
87.00775	1.5
89.02314	8.8
91.84111	0.5
95.01280	0.9
96.08210	0.5
97.02868	0.6
99.00768	1.1
101.02322	27.9
102.02651	0.6
113.02327	11.6
114.02676	0.6
119.03396	4.0
125.02367	1.4
131.03416	2.4
133.02861	1.2
135.04465	0.6
143.03435	3.0
149.04498	1.9
155.03413	1.0
161.02367	1.4
161.04453	5.7
179.05551	0.9
202.69446	0.6
203.05576	0.8
298.35968	0.5
322.55188	0.6
337.35168	0.6
397.22708	1.2
415.23611	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67492	0.4
57.03331	1.0
58.20272	0.4
59.01250	100.0
60.01591	1.9
61.98708	1.7
62.88944	0.4
64.75246	0.4
65.13648	0.5
69.03328	1.2
69.39220	2.7
71.01254	16.7
72.99191	1.5
73.02813	6.2
83.01243	2.5
85.02823	5.2
87.00748	0.9
89.02315	7.2
93.03359	0.8
95.01285	1.2
97.02840	0.6
99.00751	4.0
101.02322	10.0
111.00757	0.5
113.02336	9.7
115.04984	0.4
119.03403	2.3
121.02851	0.8
125.02354	1.1
129.01810	0.4
130.08568	0.8
131.03447	0.7
134.03654	0.9
135.04404	0.5
137.02353	0.8
139.03879	0.6
139.12447	0.4
143.03421	1.3
147.87666	0.5
148.05202	14.7
149.05960	0.9
151.00256	0.7
159.02945	0.6
161.02431	1.0
161.04477	5.9
163.03925	1.0
163.07549	11.8
163.08913	0.6
164.07939	0.6
167.03477	0.5
179.03490	0.5
179.05510	0.9
193.05026	1.9
199.29279	0.4
252.09979	0.5
353.03189	0.5
395.03714	0.5
397.22348	1.0
413.24179	1.0
415.23489	1.5
457.17422	5.4
458.17697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	5.1
61.98681	2.5
71.01247	3.8
71.53356	1.8
89.02316	2.4
109.21526	1.5
161.04401	2.5
179.05502	5.0
277.21725	37.0
278.21991	5.0
414.12970	1.5
451.63635	1.3
456.35635	19.6
457.35953	100.0
458.36304	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	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53857	0.5
55.01741	1.1
57.03306	1.1
58.00465	1.3
59.01250	28.1
71.01251	17.3
72.99166	2.1
73.02834	1.0
73.76442	0.5
83.01258	1.6
85.02827	4.4
87.00732	1.2
89.02317	13.9
89.20724	0.5
95.01244	1.2
95.04857	0.5
98.20641	1.1
101.01691	0.8
101.02319	9.9
101.80697	0.5
113.02325	6.2
119.03385	5.0
119.04882	1.3
126.23415	0.5
127.11122	0.7
141.12747	4.9
143.03377	0.6
145.02859	0.7
155.14296	2.2
155.83020	0.5
163.03880	1.8
179.05504	1.3
194.90346	0.5
249.22217	5.5
271.79953	0.5
271.83112	0.5
277.21698	3.7
279.23114	0.5
291.23355	1.1
295.22766	31.8
296.23151	4.3
337.23871	1.4
352.48395	0.5
359.75327	0.6
360.44489	0.5
457.28043	100.0
458.28397	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	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.9
59.88339	0.7
61.98690	0.7
63.82767	0.6
68.42213	0.6
71.01246	1.5
71.53299	0.8
75.00745	1.4
85.02833	0.9
89.02330	0.8
107.01170	0.8
113.02354	1.0
121.02838	100.0
122.03171	4.2
128.17422	0.7
151.00302	0.8
152.99385	1.1
153.05475	0.9
160.01584	1.1
161.07423	0.7
180.05733	1.2
181.06549	5.9
192.16620	0.7
193.01270	0.8
209.04439	1.0
209.11839	2.2
225.05522	8.3
226.06017	0.8
255.03030	2.1
275.77249	0.8
283.02344	1.5
312.73883	0.9
313.07175	19.2
314.07520	1.8
357.06140	4.4
401.08743	63.4
402.09085	6.8
408.36343	0.7
441.11792	1.1
459.07419	3.3
459.18625	2.4
459.27484	0.8
460.36310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77017	0.3
55.01767	0.6
55.93306	0.2
57.03329	0.6
58.00471	0.7
59.01249	100.0
60.01589	1.2
69.03329	0.5
69.32599	1.9
69.32993	0.5
71.01253	19.4
72.01608	0.3
72.99175	0.9
73.02818	15.2
83.01258	3.5
85.02822	4.9
87.00739	0.7
89.02317	8.8
95.01262	1.8
97.02842	0.4
99.00792	0.8
101.02322	14.8
102.02657	0.2
113.02327	14.6
114.02676	0.4
114.99376	0.3
116.59538	0.3
119.03378	2.6
119.03987	0.2
125.02342	0.6
131.03386	1.4
143.03416	1.2
149.04474	1.1
154.40611	0.3
155.03491	0.3
161.04462	3.9
179.05557	0.8
209.09236	0.3
273.45053	0.3
300.29984	0.3
306.56335	0.3
397.22388	0.8
415.23544	0.4
471.72647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.7
71.01253	3.5
71.27371	2.4
72.00771	2.4
73.02817	49.6
74.02330	1.6
82.56573	1.6
89.02335	4.4
99.00747	7.6
101.02317	2.9
116.92771	11.5
117.01823	100.0
118.02158	3.8
118.04988	3.4
170.23341	1.7
195.50836	1.6
234.04762	1.9
341.10867	5.8
367.51981	1.9
482.44885	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03324	0.5
59.01250	100.0
60.01591	1.3
69.31989	0.4
69.32411	0.5
71.01252	7.1
72.99200	0.3
73.02822	1.7
74.03188	0.2
83.01259	0.9
85.02821	3.7
87.00779	0.4
87.04377	0.9
89.02312	1.5
95.01262	0.7
97.02876	0.2
98.20551	0.2
99.00754	1.0
101.02313	2.9
102.02655	0.1
113.02325	6.8
114.02690	0.2
119.03413	0.4
125.02334	0.3
143.03423	0.4
159.02948	0.3
161.04451	2.8
179.05664	0.2
190.86925	0.1
255.19757	0.4
384.76279	0.2
399.23868	5.6
400.24231	0.9
403.27786	0.1
417.24966	2.9
418.25510	0.4
459.26102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.48173	1.1
52.84772	1.1
79.04885	1.0
89.47398	1.1
98.38312	1.1
107.04198	2.2
107.04905	33.9
151.43716	1.2
163.11189	100.0
164.11540	6.0
283.17041	24.3
284.17343	3.6
295.16983	13.3
296.17456	2.7
459.29010	84.6
460.29434	15.6
460.35419	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	461.0727
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03305	0.3
59.01249	1.5
63.02260	0.7
65.00185	1.0
66.58691	0.2
71.01262	1.2
71.39585	0.2
75.00745	0.6
77.26420	0.1
83.01260	1.2
85.02827	1.7
87.00740	0.4
89.02332	0.2
95.01271	0.7
99.00748	0.6
103.00285	0.2
105.03310	0.2
107.01275	2.2
109.02851	0.3
111.00807	0.2
113.02325	2.9
113.88602	0.2
115.00234	0.2
117.01855	0.2
121.02799	0.6
123.00828	0.2
125.02323	0.4
132.01936	0.2
133.02850	4.5
134.03157	0.2
135.04417	2.1
137.02310	0.3
141.07036	0.2
143.04887	0.3
145.02876	0.2
147.04410	0.7
149.02341	1.4
151.00267	3.9
151.03862	0.2
152.00499	0.2
155.04903	0.3
157.02843	0.3
157.06473	0.3
159.04399	0.2
161.02383	0.2
163.00270	0.4
163.03929	0.3
167.04953	0.2
168.02351	0.2
169.06430	0.2
170.03685	0.2
171.04430	0.6
171.05995	0.1
173.05988	0.4
174.03081	0.3
175.02390	0.6
175.03923	1.7
176.01024	0.3
177.01857	0.7
182.03857	0.2
183.04428	0.2
185.05998	1.2
187.03947	0.5
189.01933	0.2
189.05482	0.6
190.99805	0.2
195.04486	0.3
196.01996	0.2
196.05057	0.2
197.06009	0.3
198.03172	0.5
199.03952	2.2
200.04546	0.3
201.01837	0.5
211.04204	1.6
212.04626	0.5
213.03560	0.1
213.05450	1.1
215.03456	0.9
217.04977	0.9
224.04501	0.1
224.37350	0.2
227.03519	0.4
229.04948	1.3
239.03410	0.7
240.04147	0.2
241.05057	1.0
242.02147	0.2
243.02939	0.4
256.03735	0.4
257.04449	1.2
267.02914	0.4
268.03781	0.3
283.02505	0.2
284.03247	0.6
285.04031	100.0
286.04379	8.5
297.04016	0.4
313.03372	0.4
314.04214	0.2
327.01434	0.3
327.05069	3.4
328.05304	0.5
339.04977	0.3
341.02994	1.4
341.06580	0.3
355.04367	0.3
357.06094	1.8
358.06332	0.2
369.06262	0.3
371.04013	0.7
372.04596	0.2
381.06073	0.4
399.07285	0.2
455.59387	0.2
461.07178	4.4
462.07639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
58.00439	0.8
58.02829	0.7
59.01251	61.3
60.01579	0.8
61.98684	0.7
65.92913	0.7
68.99689	19.0
69.03316	2.6
70.40137	2.2
71.01250	22.5
72.00203	0.6
72.99171	1.7
73.02810	4.7
73.22630	0.7
75.00728	0.9
80.65099	0.6
81.03326	1.7
83.01247	2.9
85.02841	4.1
87.00737	1.1
89.02317	23.5
95.01281	2.0
96.95871	0.8
97.02810	2.5
98.64564	0.6
99.00762	4.2
101.02333	7.0
104.83213	0.7
109.02836	1.2
111.00764	0.9
113.02339	5.3
115.03871	1.2
115.05000	1.0
119.03383	1.8
119.04915	0.8
120.63378	0.6
121.02815	1.7
123.04398	1.0
124.01500	0.8
125.02328	12.1
130.08632	3.0
131.03391	2.8
134.87903	0.7
135.04408	1.0
137.02336	13.1
138.03026	0.9
139.03911	0.7
143.03384	1.1
148.04086	0.8
148.05219	11.3
149.02345	0.9
149.04443	2.8
149.05951	1.3
151.00273	1.7
151.03915	1.8
152.04712	3.2
153.01820	1.5
155.03270	0.7
161.02209	0.9
161.04459	1.2
163.00273	3.0
163.03854	0.6
163.07562	4.8
164.00912	0.9
165.00493	1.5
165.01843	22.8
165.03241	1.3
165.75291	0.6
166.02313	1.4
169.97646	0.7
176.04813	0.7
179.03448	4.2
180.04207	5.1
181.08614	1.3
189.01929	0.8
191.05548	1.6
191.07054	6.1
205.08606	1.2
207.03011	0.8
208.07344	13.9
208.09224	1.3
219.06451	4.0
223.09700	45.5
224.09998	4.3
233.06631	8.4
234.05272	0.8
236.04768	0.7
236.06888	2.7
237.07195	0.7
249.07655	6.6
251.09222	100.0
252.09549	9.1
264.34067	0.8
270.21805	1.0
275.09161	0.7
277.07245	1.9
293.08609	4.5
385.14935	3.1
413.14587	12.4
413.23618	3.3
414.14810	1.5
415.23141	0.8
457.12738	6.1
481.11407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41096	1.2
53.93843	1.4
57.02090	1.3
57.17627	1.4
59.01233	5.4
60.82827	1.3
60.98193	1.1
65.20661	1.2
69.51499	3.3
69.51906	4.6
71.01260	3.9
72.52318	1.4
75.85381	1.2
79.80421	1.2
83.01244	1.4
85.02812	3.1
86.82825	1.3
89.02271	2.0
96.95900	1.6
98.52610	1.3
99.00768	3.0
105.03316	1.3
109.02831	2.5
113.02319	2.2
115.05411	1.8
115.91933	2.3
116.92744	10.6
119.04938	1.8
121.02814	4.3
123.00789	2.9
123.04380	1.5
124.98685	9.3
125.02326	1.8
132.02051	1.8
133.06487	1.2
135.00761	3.1
136.01680	1.3
137.02335	1.7
143.04897	2.4
143.97844	1.2
149.02338	19.8
150.03078	2.9
151.00232	5.3
151.03893	2.6
153.01881	1.7
161.02312	1.8
163.00279	56.1
164.01051	6.0
164.66132	1.2
165.01649	1.7
166.02596	2.7
167.03374	1.4
175.03976	1.6
176.01019	1.4
177.01862	56.9
177.05415	7.1
178.02420	6.5
187.03894	3.2
188.01025	9.2
189.01671	1.8
193.05014	2.0
203.03407	1.3
205.01453	2.5
205.05003	46.4
205.34787	1.4
206.02188	1.9
206.05569	4.5
207.06433	2.2
215.03423	1.5
219.06615	3.2
220.07329	15.1
221.08122	23.3
227.13985	1.2
231.06616	5.4
233.04573	7.5
246.57249	1.7
248.06876	55.3
249.07607	16.0
261.07913	1.4
292.05881	100.0
293.06366	6.6
351.10815	1.5
383.13431	13.2
384.13712	1.6
411.12949	12.4
422.13766	1.3
455.11908	48.3
456.12482	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	455.2648
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
51.71402	0.7
55.01756	1.0
57.03310	1.0
58.00452	2.4
58.51685	0.7
59.01250	34.0
65.56606	0.6
71.01252	21.5
71.52827	0.9
72.99164	2.6
73.02796	1.7
82.12644	0.7
83.01257	2.1
83.18968	0.7
85.02811	5.5
87.00697	1.5
89.02318	18.2
95.01259	1.2
101.02312	13.5
113.02345	6.4
114.02787	0.8
117.03394	0.9
119.03366	5.7
119.04803	0.8
128.53714	0.8
138.06473	0.7
139.11147	1.1
145.02853	4.4
149.61258	0.7
153.12746	1.3
154.61418	0.7
157.51274	0.7
166.02673	0.7
172.67690	0.8
173.48680	0.9
181.04985	4.5
181.06418	0.9
187.41017	0.8
191.17972	1.4
247.20638	1.1
275.20197	3.5
289.21689	0.8
292.29559	0.7
293.21213	34.4
294.21585	4.4
335.22302	1.4
455.26471	100.0
456.26828	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	455.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92455	1.3
56.33873	1.2
58.70528	1.4
59.01235	3.3
71.52755	1.7
78.95782	3.8
84.20501	1.2
84.23341	1.2
86.26773	1.4
86.48219	1.3
90.40648	1.4
96.05595	1.5
99.09407	1.2
99.38219	1.4
100.81495	1.2
101.44168	1.1
145.02866	2.2
151.07527	1.6
152.99515	5.9
166.50500	1.5
170.05865	2.4
175.63716	1.3
203.86279	1.3
227.20113	41.8
228.20485	2.6
233.19095	1.9
256.40250	1.6
277.18091	100.0
278.18442	8.7
279.02133	1.4
279.19669	22.4
280.19843	1.4
295.19156	42.2
296.19455	5.8
330.00040	1.5
363.25357	16.1
364.25623	1.7
369.22812	46.5
370.23096	5.2
381.26462	2.7
437.28986	1.2
455.24020	6.5
455.30487	3.7
456.24506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55310	2.7
59.01255	3.4
59.36043	2.6
62.99460	2.7
68.22614	2.6
71.52767	2.9
73.63646	2.6
74.57372	2.8
76.00704	2.7
78.95779	8.9
92.61634	3.0
110.09129	2.8
116.10067	2.8
130.29607	3.1
131.30666	2.7
141.09094	11.4
145.02890	6.7
152.99477	24.5
153.12762	9.7
163.11185	5.9
165.09117	5.2
165.12807	7.6
181.12273	60.7
182.12573	4.7
190.37074	3.5
197.11734	5.7
199.13333	30.6
210.12566	3.2
213.14952	6.0
227.03264	3.6
227.20102	97.3
228.20380	8.6
237.14897	11.1
239.16490	9.8
248.03467	3.1
255.16005	11.1
257.17502	8.9
278.85919	2.8
293.37589	3.2
345.24329	9.8
350.94177	3.2
363.25497	22.6
364.25745	3.9
381.26440	100.0
382.26688	13.0
441.01682	3.4
455.24292	27.4
455.30188	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	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.75874	0.5
59.42362	0.5
61.21302	0.4
69.48158	0.5
72.24615	0.5
98.20585	1.0
176.42271	0.4
240.66830	0.4
376.73853	0.5
380.99823	0.4
455.35287	100.0
456.35641	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23434	0.7
59.01257	2.2
71.01254	2.0
71.53477	0.7
85.02847	0.9
89.02338	1.1
99.00751	1.4
101.02297	1.1
119.04914	100.0
120.05252	4.7
125.02357	1.5
163.03917	58.8
164.04286	2.6
167.03413	3.8
197.04515	1.4
205.04987	1.0
251.05690	1.4
325.09253	1.1
419.96967	0.9
457.13535	57.0
458.13901	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	451.27
Annotation	Briarellin P
Peak:m/z	Relative Intensity
50.02763	0.8
50.21090	0.7
54.79269	0.8
59.01245	4.2
61.98667	1.0
62.96275	1.0
63.25948	0.6
63.78942	0.7
71.52423	0.8
74.15583	0.7
77.75260	0.8
78.95783	2.2
82.97861	0.7
83.41261	0.7
109.02837	13.1
111.00694	0.9
122.03593	1.7
122.22150	0.8
123.00774	2.3
124.01515	3.3
130.96675	0.8
133.02856	66.5
133.12202	0.8
134.03189	2.5
135.00746	0.8
137.02348	3.4
149.02461	0.9
150.03151	1.9
151.03917	68.6
152.04245	2.8
153.01859	1.2
167.01726	0.8
176.13171	0.7
177.01857	9.9
179.78346	0.8
180.18622	0.7
195.02901	0.9
196.04892	0.7
239.89857	0.7
403.24017	0.8
451.27005	100.0
452.27332	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00257	0.1
56.58904	0.1
57.03328	0.1
58.00918	0.1
58.02833	0.3
59.01237	0.5
59.94583	0.1
60.54359	0.1
70.82378	0.3
71.01250	0.2
72.04430	0.1
80.04939	0.2
80.05965	0.1
81.03329	7.0
82.03691	0.2
83.04895	22.2
84.05217	0.5
85.02829	0.3
93.03343	0.1
100.07594	0.2
107.06033	0.6
108.04419	1.0
109.02829	0.4
116.77138	0.1
123.04405	0.3
125.02350	0.4
125.07096	3.2
126.05494	0.3
133.02873	0.2
135.04419	0.1
137.02312	0.2
141.01842	0.4
143.08148	1.5
143.09935	0.1
151.03896	0.1
152.10568	0.1
161.02362	0.4
168.00606	0.1
175.03862	0.1
177.01859	0.3
183.14839	0.1
189.01826	0.5
190.02583	0.2
191.03337	0.2
194.78380	0.1
199.18126	0.2
205.01312	0.1
207.14966	3.2
208.13483	0.2
208.15317	0.2
216.00572	0.1
217.01352	0.4
219.02859	0.2
224.17633	4.6
225.16035	12.1
226.16374	0.9
227.07022	0.1
231.03027	0.2
242.18719	1.5
243.19121	0.1
250.15524	0.3
268.16684	0.4
289.07120	0.4
290.22437	0.3
306.22412	0.1
307.24161	0.2
309.21722	0.5
324.26535	1.9
325.26810	0.2
333.22946	4.3
334.23438	0.6
339.27768	0.2
341.06583	1.1
341.29108	0.2
342.06836	0.2
351.24002	1.2
367.27136	1.1
376.98721	0.1
385.28229	0.3
433.31812	5.5
434.32208	1.1
451.32867	100.0
452.33191	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	452.278
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
62.96297	0.2
70.54926	0.4
74.63834	0.1
78.14301	0.1
78.95773	20.1
90.61556	0.1
113.87117	0.1
122.00030	0.8
134.98404	0.3
140.01080	5.1
140.02168	0.3
152.99510	1.8
166.02664	0.2
171.00427	0.2
196.03725	9.9
197.04091	0.2
214.04794	2.0
236.17511	0.1
237.22169	0.2
255.23256	100.0
256.23602	10.3
452.27798	23.7
453.28122	3.8
469.66376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38604	0.6
55.01735	0.6
57.03318	2.5
58.00457	0.6
59.01252	13.6
59.01739	0.6
61.98700	2.2
68.99680	1.1
69.03320	1.4
69.27789	5.1
71.01256	14.1
71.48683	0.5
72.99168	4.1
73.02817	1.4
75.00746	17.1
78.95776	0.9
79.95631	0.8
81.03339	0.7
83.01254	1.2
84.02017	0.8
85.02821	19.2
87.00750	6.0
89.02306	4.0
93.03342	1.5
95.01254	4.7
96.95904	0.8
98.19742	1.1
99.00756	9.5
101.02341	1.4
103.00231	1.7
108.02093	0.7
109.02838	4.0
111.00768	1.9
112.01524	0.6
113.02331	19.9
114.02711	0.9
115.00257	1.9
116.13751	0.6
116.73797	0.6
117.01811	3.0
120.99512	1.3
121.02842	0.9
123.04407	1.2
125.02318	1.0
129.01828	2.1
133.02846	1.7
135.04480	3.0
136.01546	0.9
136.04817	1.2
137.02373	1.7
139.00253	0.7
145.02837	1.7
146.58005	0.7
151.00267	1.6
151.03885	1.8
153.01857	1.2
160.05222	1.4
161.02397	3.5
165.01805	0.8
175.02383	2.8
175.07500	0.9
177.01814	1.8
189.01878	3.0
190.02570	1.7
191.03377	1.4
199.13391	0.9
201.14909	100.0
202.15244	8.6
216.00519	0.8
217.01329	3.2
219.02995	1.4
231.02994	1.4
231.05038	1.4
247.72704	0.6
249.06123	16.2
250.06364	1.3
267.06808	1.6
282.09103	0.7
283.06104	0.9
289.07138	0.7
297.11331	1.6
327.12219	0.9
341.06622	8.1
342.07034	1.4
355.22015	0.6
371.11267	1.1
391.19446	1.2
433.20712	3.2
451.07126	5.1
451.21829	91.9
452.22086	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	449.2544
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.70176	0.2
59.01231	1.2
62.96255	0.5
71.52053	0.3
78.15614	0.2
78.95772	52.4
81.83846	0.2
96.96833	6.3
107.04904	0.4
117.03353	0.8
133.02847	12.3
134.03645	3.9
135.04413	20.0
136.04750	0.7
137.02321	2.0
139.03934	0.4
150.97900	1.7
152.99481	100.0
153.99826	2.1
154.99930	0.6
161.02342	63.0
162.02689	3.8
163.14490	0.3
171.00543	5.0
178.02576	0.5
179.03413	8.4
180.03645	0.4
269.21274	0.5
287.22263	6.5
287.25250	0.5
288.22787	0.8
292.08783	0.2
295.22833	0.7
300.47784	0.3
303.84402	0.2
328.61206	0.3
382.70917	0.3
431.24518	1.8
449.25549	41.8
450.25922	7.2
468.64227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2905
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
59.01244	2.3
61.98705	0.5
70.67745	1.1
77.03838	1.0
78.95778	1.3
89.03836	0.9
89.15320	0.5
93.03337	0.6
93.67504	0.5
95.04902	2.3
101.02264	0.5
105.03334	11.5
105.04013	0.8
119.04915	1.5
121.02834	2.9
122.03194	1.0
123.04451	1.2
132.02048	2.5
133.02844	85.2
134.03716	7.3
135.04434	4.2
136.01566	1.2
137.02356	3.6
139.03896	1.3
140.59575	0.4
142.03891	0.4
147.04440	1.7
148.40987	0.4
149.02298	0.8
149.05983	1.9
151.03873	1.0
152.99484	1.6
153.05475	1.0
160.01566	8.7
160.42838	0.5
160.57379	0.4
161.02356	4.5
162.02664	0.4
175.03900	7.4
177.01846	22.0
178.02612	5.6
179.03358	2.1
186.58479	0.5
192.04155	0.8
193.05017	3.3
261.86829	0.5
308.55927	0.4
329.63754	0.4
375.21753	0.5
431.24344	8.4
432.24466	1.4
434.26688	29.6
435.27045	4.4
449.29068	100.0
450.29434	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47323	1.6
52.03098	2.2
57.03322	15.2
59.01249	22.4
60.01579	1.9
61.98699	18.6
65.00198	4.6
69.83689	9.6
71.01242	5.4
81.03327	3.6
83.01260	13.6
85.02835	2.4
89.02306	2.0
93.03336	4.2
97.02818	3.5
101.02392	2.7
107.01265	8.4
107.04910	2.1
108.01522	2.7
109.02831	9.4
110.53543	2.0
113.02348	2.9
122.03143	1.9
123.00819	1.9
123.04350	2.1
124.01576	2.5
125.02335	100.0
126.02670	37.9
127.02856	2.1
133.02888	3.1
135.04382	17.9
136.04738	8.4
137.02266	2.3
139.03847	3.9
142.04697	1.6
146.97932	2.0
149.02365	10.0
150.02698	3.7
151.00269	25.5
152.00548	11.9
153.01842	13.5
154.02197	2.7
161.02312	3.3
163.00267	2.2
165.01819	2.9
173.05888	4.4
174.06299	4.1
176.00978	2.1
177.01793	6.8
178.98434	1.9
178.99722	12.0
179.03424	9.1
180.00165	6.4
193.01321	7.3
194.01672	7.1
201.05368	2.2
202.05840	2.7
202.07724	2.0
213.16017	2.0
214.05664	1.9
215.07021	2.0
216.07281	4.3
225.05360	2.6
226.05885	2.7
242.05534	2.7
244.06895	3.2
259.06082	29.6
260.06427	50.4
261.06567	3.9
261.83600	2.1
267.06973	2.3
269.04559	25.0
270.04874	55.8
270.07629	3.8
271.05090	3.1
287.05579	21.1
288.05933	48.8
289.06680	4.5
297.06238	2.1
329.06729	4.2
330.07016	14.8
360.08130	2.0
444.91367	2.1
450.11194	74.1
451.11792	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.9
58.00439	1.1
59.01250	83.3
60.01571	1.2
61.98682	4.4
65.07344	0.8
68.91564	1.0
71.00854	1.2
71.01251	20.3
72.99155	2.8
73.02807	1.7
74.02356	1.5
75.00716	1.8
83.01246	1.6
85.02829	9.1
87.00764	7.8
89.02316	13.6
93.03329	1.9
95.01266	1.2
96.00758	1.2
99.00757	1.7
99.04391	6.7
101.02311	8.0
109.02822	2.5
113.02330	7.6
115.00261	10.9
119.03394	5.1
121.02803	1.7
125.02306	1.3
129.01830	1.2
131.03293	1.1
133.02791	1.3
135.04398	2.4
136.01620	1.5
136.57961	1.0
137.02350	1.9
151.00209	2.6
151.03900	2.1
152.00952	1.4
153.01808	2.5
161.02396	1.7
165.01831	2.1
165.12714	3.1
167.03398	2.5
175.02406	9.1
179.05499	1.2
187.07539	2.0
191.01820	2.1
191.05547	26.5
192.05829	1.4
207.13823	7.4
209.09898	1.5
209.11766	19.9
210.12024	1.3
214.02466	1.2
225.14964	6.5
229.04875	1.4
243.06552	0.9
244.07343	1.1
251.12869	4.5
257.08160	1.9
265.49066	0.9
269.13925	100.0
270.14252	8.5
272.41995	0.9
285.03906	2.5
286.04092	4.0
287.04871	4.4
289.37469	0.9
297.06116	1.6
299.05365	1.0
301.72525	1.0
306.43024	1.1
329.05743	2.4
372.42871	1.0
397.24673	1.2
414.16708	2.3
449.06708	12.7
449.20172	47.9
450.07852	2.1
450.20593	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01249	2.2
61.98699	0.4
62.96283	25.8
71.01273	0.3
71.52412	0.2
78.95777	60.3
80.97342	34.1
96.96834	0.3
127.62590	0.2
135.10544	0.2
137.02425	0.2
149.00003	15.2
150.00287	0.3
151.01498	0.4
152.99477	0.5
179.01103	1.5
181.02689	0.3
187.23332	0.3
205.15924	8.3
206.16273	0.6
207.85880	0.3
214.01428	0.3
242.98256	5.5
285.12643	1.9
327.34384	0.3
355.16776	19.6
356.17111	2.1
385.17844	23.1
386.18240	2.4
419.13834	0.3
449.14981	100.0
450.15317	12.0
457.15466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.03106	0.5
58.10830	0.6
59.01249	2.4
62.96278	23.8
69.47234	3.1
71.01243	0.5
74.21817	0.5
78.95773	68.2
80.97336	33.3
91.54549	0.4
96.96849	1.2
98.19887	0.9
104.50320	0.5
111.63874	0.5
120.43605	0.5
137.02330	0.6
148.99992	16.1
150.00284	1.1
152.99472	7.5
179.01115	1.5
205.15932	8.5
206.16171	0.6
208.25000	0.6
224.33499	0.4
242.98244	6.7
281.21179	1.2
285.12680	1.9
355.16766	19.6
356.17188	2.1
385.17838	22.3
386.18253	2.0
407.81274	0.5
449.14902	100.0
450.15271	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	449.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
57.41841	0.3
58.00455	0.3
59.01252	9.7
60.12400	0.3
60.99175	0.4
61.98685	0.5
66.42010	0.3
67.01762	1.3
69.03355	0.5
71.01250	5.8
71.24532	0.7
72.99169	1.0
73.02804	0.5
81.03331	0.7
83.01251	0.7
83.04904	0.5
85.02818	6.7
87.00750	2.6
89.02333	2.9
93.03334	10.5
94.03647	0.3
94.06503	0.7
95.01279	0.5
95.03625	0.5
96.00788	1.5
96.08063	2.1
96.95921	0.4
97.01578	5.3
98.02374	0.4
98.05991	1.9
99.00761	0.5
100.03936	0.5
101.02346	2.1
106.06522	0.4
108.04431	1.2
109.01556	0.4
109.02821	0.6
109.05238	1.8
110.05974	1.8
111.04412	1.7
113.02328	3.7
117.03355	0.4
118.06496	2.2
119.03400	0.7
120.08079	0.7
121.02825	0.3
122.06031	0.7
124.01540	0.3
124.03996	0.4
124.07574	30.7
125.02345	0.7
125.07882	0.9
126.05498	1.7
127.03869	0.4
128.73550	0.3
129.01852	1.0
132.02078	0.9
133.02843	0.9
134.03645	2.1
134.06004	3.9
135.04434	4.8
136.03951	0.3
136.07535	0.5
137.02332	1.1
137.04703	0.6
138.05527	1.9
138.09109	0.6
150.05518	1.1
151.00285	0.5
151.03917	0.6
155.03421	0.5
158.05966	0.5
160.01587	2.5
161.02306	0.6
162.03252	0.5
162.05521	8.3
163.06317	3.2
166.04980	1.0
168.06557	0.4
173.04468	6.2
176.07101	0.9
178.02689	0.3
178.05028	8.4
179.03389	0.9
180.06677	0.4
191.05556	25.1
192.06374	1.0
194.04518	1.1
194.32581	0.4
195.05206	0.6
200.14365	1.6
211.13353	1.2
212.13669	1.0
213.13878	1.1
243.14990	5.6
244.15376	0.6
255.02991	0.5
256.03629	0.4
257.08197	1.2
272.96411	0.3
275.09271	1.2
283.14612	1.0
284.03354	0.5
285.03934	0.8
287.14008	100.0
287.71204	0.3
288.14316	11.0
301.15540	3.0
308.09232	0.4
328.05453	0.3
329.05844	0.7
329.15057	14.9
330.15427	1.7
330.27487	0.3
351.07193	0.7
352.07935	0.5
410.65723	0.3
449.08875	0.5
449.13889	2.7
449.18652	1.8
449.27631	0.8
450.08890	0.4
450.14529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.1
57.03314	4.1
59.01250	31.0
60.46241	1.0
61.98684	3.5
67.01735	1.4
69.03306	1.7
71.01251	13.8
71.52878	1.3
72.99173	2.0
73.02812	2.7
80.23959	1.0
81.03359	1.1
83.01263	1.6
85.02814	10.2
87.00756	4.1
89.02325	9.1
93.03322	11.6
95.01256	1.8
97.02850	1.1
97.06441	3.1
101.02316	10.6
107.01247	1.3
108.02054	10.5
109.02834	7.3
111.04358	2.5
113.02325	7.1
119.03395	2.7
121.02813	1.1
123.00756	1.2
123.04401	4.2
125.02320	2.7
129.01778	1.8
133.02835	1.7
134.03619	2.2
135.04414	5.0
137.02351	1.6
142.01556	1.2
149.02324	1.2
151.00240	4.9
151.11192	16.3
152.01056	18.9
152.11542	1.3
153.01878	4.8
161.02361	1.6
161.04474	4.2
164.04712	1.5
165.01837	2.3
165.26228	1.0
167.03461	5.1
169.12254	100.0
170.12631	4.9
173.04417	5.0
177.01744	1.8
179.03362	1.1
179.05507	1.5
180.04202	1.3
189.01901	2.2
191.01912	1.4
191.05505	4.0
195.06566	1.2
195.10185	2.5
206.30475	1.1
213.11282	21.8
215.03423	2.9
217.01289	2.1
243.03024	1.5
253.09358	7.7
275.09293	1.9
281.06750	2.1
285.03943	3.2
287.05295	1.7
327.04916	1.3
329.05722	1.9
369.09766	3.4
370.10135	1.0
389.21786	2.9
405.89880	1.2
407.07483	2.2
449.10736	13.1
449.20233	83.5
450.10797	2.9
450.20630	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	449.1089
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.53344	0.8
57.03320	9.5
59.01245	9.6
61.98691	1.5
63.02246	1.0
65.00196	7.2
69.03307	1.9
70.81765	1.5
71.01252	2.0
81.03326	5.2
83.01252	9.4
85.02822	1.4
89.02320	1.0
93.03323	3.0
93.10423	0.8
95.01248	1.6
95.04968	0.9
97.02821	6.5
99.04426	1.1
100.68835	0.9
101.93166	0.9
104.39708	0.9
105.03369	2.0
106.04228	1.1
107.01261	10.5
107.04899	1.1
109.02857	3.4
111.04430	1.2
113.02341	1.4
117.03340	2.2
121.02827	6.9
123.00755	2.7
123.04421	2.5
125.02335	100.0
126.02665	4.0
133.02844	2.4
135.00677	1.3
135.04413	81.1
136.04750	4.1
137.02335	6.6
139.03908	2.5
149.02341	14.6
151.00273	32.1
151.03859	1.3
152.00981	4.0
153.01826	7.2
155.03394	2.1
159.04446	1.4
161.02373	2.4
161.04422	1.1
163.00288	7.4
164.01039	1.5
165.01848	11.5
167.03409	9.2
169.01312	1.0
172.05197	1.6
173.06032	4.3
177.01794	1.8
177.05423	1.8
178.99786	12.6
179.03415	5.6
181.06462	1.0
193.01360	62.8
194.01712	4.2
197.04425	2.2
199.03860	1.0
199.07524	1.4
201.05527	3.8
203.03444	1.5
205.01419	1.4
207.03001	1.5
213.05533	1.1
215.07133	4.8
223.02437	15.4
225.05551	3.4
226.05980	1.3
241.04967	1.6
243.06647	5.1
259.06088	66.0
260.06360	6.3
269.04538	58.4
270.04807	5.4
283.06317	1.7
287.05600	54.4
288.05917	6.0
311.05582	2.5
329.06659	90.4
330.07010	11.2
341.06198	1.2
359.07706	18.3
360.07999	2.7
371.07681	2.5
421.11276	1.5
431.10254	1.4
449.10910	61.1
450.11392	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	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.2
61.98702	0.5
62.74139	0.4
67.01759	0.8
69.03323	0.9
70.23866	0.6
70.24200	0.6
71.01261	2.8
73.02808	1.3
76.02194	0.4
77.74993	0.4
79.05390	0.8
80.96359	0.4
81.03303	0.5
83.01252	0.7
85.02821	1.2
87.00733	2.0
93.03332	6.6
96.95881	1.5
99.00706	0.6
101.02319	1.0
107.04922	1.5
108.02060	0.5
109.02835	0.7
111.04377	0.8
115.83972	0.5
121.02869	0.6
124.01534	1.5
125.02312	0.8
133.02856	2.3
134.03639	4.2
135.04424	15.1
137.02335	1.0
145.06480	0.4
150.03090	1.1
151.00293	0.5
151.03926	2.2
155.08594	0.9
156.05806	0.4
157.06523	0.5
159.04466	0.5
161.02327	0.7
163.03912	1.0
167.04959	0.5
169.06477	0.5
171.08095	2.5
173.04449	1.6
173.05890	0.8
176.01065	0.5
179.03426	3.8
180.45348	0.4
183.08058	0.6
185.05927	0.9
187.07480	1.5
189.01903	1.5
190.02626	4.4
191.05556	4.3
197.05988	1.3
199.03914	0.9
199.07610	2.0
201.01871	1.2
201.09204	1.2
202.02443	0.5
209.06038	0.6
211.03967	0.6
212.04727	1.0
215.03520	1.2
215.07074	14.5
216.07515	1.4
217.08667	1.6
227.07185	3.7
228.07588	0.6
229.05080	2.4
229.08684	3.6
230.05806	3.2
230.09071	0.4
231.06184	0.5
243.06612	7.6
244.07335	3.8
245.08153	100.0
246.08492	7.3
257.08197	0.7
271.09653	0.6
275.09390	0.5
287.05060	0.5
287.09512	0.5
290.07803	0.6
307.08206	1.1
308.08868	3.5
352.07983	2.2
369.13278	0.8
389.12378	4.6
390.13104	0.6
407.13452	17.2
408.13821	1.8
445.03568	0.4
449.14523	42.2
450.14777	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	447.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.6
57.03285	1.2
58.00465	2.1
59.01252	39.4
61.98696	1.3
69.03327	94.6
69.82777	0.8
70.03658	2.1
70.19090	0.8
71.01254	19.1
72.99175	3.9
73.02808	2.3
73.72951	0.8
77.72404	0.8
79.01750	1.9
83.01273	1.3
85.02833	6.2
87.00749	2.9
89.02315	11.7
95.01246	3.3
97.02831	23.5
98.20556	1.9
99.00758	24.4
99.08039	5.1
101.02311	9.6
109.02850	1.1
113.02310	5.6
113.09605	1.0
119.03413	4.1
119.04885	3.1
120.05263	0.9
121.02831	1.1
123.00793	2.1
133.02840	7.6
134.03192	1.0
135.04378	1.5
139.11169	3.8
141.01852	7.7
145.02840	1.4
147.04324	1.0
149.02385	0.9
152.99382	1.0
161.02383	1.8
161.71445	0.8
163.00288	2.1
163.03911	3.8
164.04314	1.4
165.01906	1.0
175.03951	2.5
176.82547	1.0
185.00850	45.0
186.01227	2.0
191.03496	1.5
193.01335	1.2
203.01933	7.5
211.13351	10.8
212.04565	1.1
212.13734	0.9
239.20114	2.9
253.09261	1.3
261.11252	4.0
269.21243	0.9
281.21271	1.3
284.03259	6.6
285.04056	9.1
285.20728	34.1
286.21069	3.3
297.04080	6.4
298.04770	4.0
299.05539	8.6
300.05972	1.6
311.05716	1.5
327.05087	52.0
328.05460	7.3
339.05002	1.6
357.06122	14.2
358.06274	1.4
369.06161	1.9
447.09155	12.3
447.25995	100.0
448.09570	2.1
448.26355	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2599
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
54.87675	0.3
55.01746	0.5
57.03327	1.5
58.00470	1.3
59.01251	29.0
60.01577	0.4
61.98709	0.3
67.74053	0.3
69.03311	0.3
70.54360	0.4
70.54692	0.5
71.01251	14.7
71.04901	0.6
71.67062	0.3
72.99192	1.5
73.02817	1.6
77.51252	0.3
83.01264	1.4
84.02027	0.6
85.02825	4.3
85.99986	0.4
87.00748	1.2
89.02319	12.0
89.03795	0.3
95.01263	1.1
98.19881	0.4
101.02321	8.9
113.02325	4.4
117.69163	0.3
119.03399	4.4
121.02847	0.3
122.12907	0.3
122.98705	0.3
131.03334	0.4
133.02817	1.5
143.03406	0.5
149.04413	0.4
154.13925	0.3
161.04419	0.3
163.00243	0.5
163.03915	0.6
175.03899	0.7
179.05560	0.3
181.15878	1.7
195.17514	0.4
201.01837	0.4
203.03627	0.3
209.11618	0.6
209.18948	0.5
210.12091	0.6
211.13277	1.2
221.19061	1.1
225.76862	0.3
239.20107	2.4
243.06546	1.3
253.21844	0.3
267.19678	1.7
269.21121	0.4
281.21255	0.6
284.03220	1.5
285.03937	1.5
285.20709	33.1
286.21033	2.9
297.03934	1.8
298.04834	1.0
299.05634	2.1
299.90372	0.3
327.05103	9.8
327.09012	0.5
327.21826	0.8
328.05396	1.2
357.06131	3.4
367.11914	0.4
405.24893	1.0
409.20010	0.3
447.09570	2.6
447.25974	100.0
448.26315	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	448.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.7
61.74280	1.4
61.98704	100.0
62.35505	1.4
62.55100	1.7
71.01261	2.4
71.19615	3.5
78.95771	3.7
86.17167	1.5
96.95882	2.7
101.02350	2.3
119.04984	1.9
133.02856	4.7
135.04384	3.8
145.02852	3.4
152.99509	1.9
161.02339	3.2
285.03842	2.0
286.04175	2.0
286.21341	2.1
315.55695	1.9
328.05460	10.3
369.09665	3.8
448.10016	2.2
448.26358	6.6
449.25552	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	447.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.5
57.03311	0.9
58.00455	1.5
59.01254	26.9
59.30117	0.3
61.98705	0.4
68.32712	0.3
69.03319	0.4
69.65012	0.6
69.65358	1.8
71.01253	16.4
72.99171	2.5
73.02805	1.7
78.95776	1.4
83.01244	1.6
84.02057	0.4
85.02828	4.3
87.00758	1.1
89.02315	12.4
95.01252	1.5
96.19742	0.4
97.02850	0.4
97.06463	1.1
99.00747	0.6
101.02316	9.4
107.50671	0.4
109.06459	0.5
111.08027	0.4
113.02334	5.0
119.03381	5.1
125.02338	0.4
133.02847	3.2
135.04393	0.9
139.07608	0.3
141.12750	4.4
143.03352	1.0
143.07056	0.4
151.00220	0.5
152.99471	1.5
160.70659	0.4
161.02339	1.2
161.04568	0.7
162.93225	0.4
163.03825	0.5
175.03909	0.6
176.32750	0.4
179.05550	0.8
183.13966	0.4
191.03468	0.4
211.13289	2.6
221.19055	1.2
233.49556	0.4
239.20134	0.8
253.09393	0.5
267.19626	2.4
269.21124	0.4
284.03241	1.6
284.06247	0.4
285.03976	2.5
285.20694	33.2
286.04312	0.4
286.21024	4.2
297.04044	2.3
298.04816	1.4
299.05582	3.0
327.05081	16.2
327.21890	1.0
328.05341	1.9
357.06177	4.4
358.06430	0.5
369.06488	0.7
447.09409	3.3
447.25961	100.0
448.09506	0.7
448.26349	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	447.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57052	0.4
55.01769	0.9
55.87092	0.4
57.03312	1.4
58.00460	1.2
59.01250	30.6
61.98711	0.6
63.94929	0.4
69.77110	1.9
71.01254	17.1
71.04893	0.9
72.99187	3.4
73.02831	1.5
73.14395	0.4
75.00703	0.4
78.95785	3.0
81.03317	1.0
82.76325	0.4
83.01256	2.3
83.04893	5.6
85.02823	4.8
87.00755	1.9
89.02325	10.3
93.03339	0.5
95.01260	0.9
99.00754	0.6
101.02323	9.7
101.05958	0.9
109.49503	0.5
110.57375	0.4
111.04391	4.0
113.02314	4.6
113.05953	0.5
119.03384	4.0
119.04835	0.5
121.02809	1.1
122.52814	0.4
129.05534	0.4
133.02823	2.3
135.04361	0.9
136.79826	0.4
152.98436	0.6
152.99501	4.0
155.14320	4.6
161.02368	1.2
161.04463	0.8
163.03944	0.5
167.14337	1.0
175.03833	0.6
179.05495	0.5
183.13879	0.6
183.17494	0.5
185.15454	0.5
199.17047	0.5
203.17996	0.4
205.19481	0.7
209.19070	1.0
211.13336	3.0
221.19087	4.1
239.20227	0.7
257.21191	1.1
267.19653	1.2
280.43478	0.4
284.03320	2.5
285.03998	2.3
285.20712	24.5
286.21014	2.0
289.73331	0.5
297.04089	2.2
298.04758	1.6
299.05554	3.0
303.21655	2.1
311.05719	0.7
327.05087	14.4
327.21725	1.0
328.05466	2.6
357.06256	3.9
447.08630	3.0
447.25989	100.0
448.26346	15.5
470.57361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74183	0.4
53.53417	0.4
53.62241	0.4
55.01751	0.9
58.00462	1.4
59.01253	28.2
60.01580	0.5
63.02357	0.4
65.00188	0.6
69.03316	1.0
70.28546	1.0
71.01257	13.4
72.01600	0.4
72.99173	1.7
73.02818	2.3
83.01270	1.2
85.02825	3.4
87.00761	1.0
89.02318	11.4
95.01257	1.3
99.00787	0.5
99.93373	0.4
101.01691	0.7
101.02322	8.7
102.75367	0.3
102.81591	0.4
109.02879	0.4
111.08013	0.9
113.02339	5.4
115.29224	0.4
119.03369	3.3
121.02855	0.5
127.11149	0.9
133.02859	1.7
141.12747	1.3
149.02388	0.5
151.00162	0.5
152.99467	0.8
161.02425	0.5
161.04434	0.6
163.03893	0.5
179.05499	0.5
205.19519	2.3
211.13339	1.2
218.66498	0.5
221.19073	4.0
222.19469	0.5
239.20094	0.7
267.19611	1.8
281.21326	0.5
284.03250	1.1
285.04034	1.1
285.20709	31.0
285.40826	0.4
286.21048	3.9
297.04010	1.3
299.05579	1.7
306.09143	0.4
325.03491	0.7
327.05087	9.9
327.21707	1.2
328.05365	1.3
339.05139	1.4
340.05594	0.5
357.06204	3.2
394.72092	0.4
447.08698	2.9
447.25980	100.0
448.07861	0.6
448.26312	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01246	11.9
72.99171	3.7
73.76842	1.6
83.77682	1.7
85.02823	3.2
89.02328	14.8
89.17376	1.6
101.02321	5.7
109.02856	1.8
113.02319	5.4
119.03368	5.1
125.02356	2.7
133.02818	2.7
135.04408	1.9
145.67564	2.0
149.02463	2.0
163.00319	2.8
179.05519	4.7
235.83913	1.7
284.03229	5.9
285.04004	2.3
297.03867	4.9
299.05594	8.4
327.05081	47.6
328.05392	5.0
447.09326	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.1
59.01251	100.0
61.98698	7.6
70.29329	1.6
70.29678	3.9
71.01254	29.2
73.02821	9.0
75.79961	1.2
80.01488	1.5
83.01244	4.6
83.66947	1.2
85.02818	9.4
87.00745	1.7
87.06373	1.3
89.02324	14.0
95.01277	2.4
96.95954	1.7
99.00798	2.8
101.02321	23.6
106.23601	1.4
113.02333	14.0
119.03422	6.1
125.02374	3.0
133.02850	1.9
143.03377	3.1
149.04474	1.3
149.09581	2.4
154.03459	1.2
161.04472	17.6
163.98601	1.3
167.10693	2.9
179.05550	2.9
225.14900	2.3
235.18358	1.4
284.03308	3.3
285.04028	5.2
297.03790	2.3
327.05133	8.6
357.05978	3.7
387.20276	32.3
388.20642	6.0
447.09549	6.1
447.22986	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	447.2386
Annotation	Ugaferin
Peak:m/z	Relative Intensity
59.01244	0.5
65.41042	0.2
69.95453	0.5
69.95851	0.5
78.95786	1.5
91.05384	0.3
93.03278	0.2
95.04910	0.2
96.96853	0.3
100.54359	0.3
107.04890	0.6
117.03365	1.5
121.02842	0.5
132.02074	0.8
133.02847	22.1
134.03661	4.9
135.04410	33.5
136.04750	1.3
137.02345	2.3
139.03865	0.6
150.03171	0.4
152.99498	2.5
155.14256	0.2
161.02344	100.0
162.02686	4.8
163.13708	0.2
178.02690	0.3
179.03416	11.5
180.03723	0.8
208.87260	0.2
211.13469	0.3
214.41545	0.3
239.20279	0.2
267.19653	0.8
273.99039	0.2
285.20712	10.1
286.21002	0.7
327.05090	0.3
429.22815	2.3
430.23044	0.4
447.23862	63.9
448.24203	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	447.0935
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.28687	0.2
59.01249	1.8
63.02271	1.0
65.00204	0.5
80.55861	0.2
83.01255	0.7
107.01277	2.3
109.02832	0.6
121.02831	0.4
127.60793	0.3
133.02844	3.9
134.03662	1.2
148.01570	0.3
149.02336	1.0
151.00285	3.5
161.16788	0.2
163.00253	0.3
164.82240	0.2
167.09119	0.2
171.04456	0.4
175.03943	1.4
183.04376	0.4
185.06033	0.3
199.03912	1.2
200.04666	0.6
201.01880	0.4
211.03995	0.6
212.04625	0.3
213.05498	0.4
215.03429	0.3
217.04961	0.8
219.87140	0.3
227.03410	1.1
229.04991	0.3
239.03557	0.4
241.04948	0.6
255.02965	0.9
256.03699	3.8
257.04224	0.3
267.02863	0.4
283.02600	0.5
284.03268	55.0
285.04022	100.0
286.04388	9.6
297.04047	1.1
298.04849	0.4
299.05563	0.8
327.05066	4.5
328.05420	0.4
344.50803	0.3
357.06152	1.1
377.83047	0.2
399.07501	0.3
447.09311	58.2
448.09665	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	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.3
55.43346	0.4
55.76479	0.4
59.01256	4.1
59.19512	0.5
60.09887	0.4
61.98686	1.2
62.92723	0.4
67.01757	0.9
69.03325	100.0
70.03658	2.4
70.28873	1.4
71.01260	1.5
72.99194	1.8
79.01768	2.1
82.11934	0.5
83.01317	0.5
85.02824	1.8
89.02352	0.5
95.01254	2.5
97.02828	21.9
98.19806	0.6
99.00755	24.0
100.01101	0.5
101.02306	0.6
102.64401	0.4
109.02865	0.6
109.44224	0.4
113.02304	1.1
115.13519	0.5
121.02908	0.5
123.00763	1.2
125.52613	0.5
133.02850	1.9
141.01836	7.0
165.01837	0.7
165.54784	0.6
168.68758	0.5
175.03961	0.5
185.00835	43.5
186.01186	1.9
202.09935	1.7
203.01909	7.2
211.13307	8.2
212.13666	0.5
218.81546	0.5
246.09027	1.1
253.09303	1.0
259.61255	0.5
261.11246	3.4
262.11630	0.5
262.95532	0.4
284.03247	1.9
285.04022	2.2
297.04004	2.4
298.04758	1.6
299.05685	2.8
311.05734	0.6
327.05096	15.3
328.05499	1.9
357.06229	3.2
358.06464	0.7
396.82376	0.5
447.08664	3.5
447.25989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
60.66095	0.2
62.96275	1.2
71.10267	0.6
74.30022	0.3
78.95772	46.6
96.96832	2.7
110.25802	0.3
113.37220	0.2
130.50514	0.3
147.84729	0.3
148.99989	19.9
150.00314	0.3
150.97821	0.3
152.99480	4.5
158.92406	1.7
179.01068	2.5
205.15964	1.7
267.11560	0.5
309.52142	0.3
327.05002	0.5
347.08340	0.5
348.08365	0.3
374.12454	0.3
388.17017	0.3
417.12274	1.1
431.10043	2.8
432.10574	0.4
440.71817	0.3
447.13391	100.0
448.13705	14.0
460.08521	0.3
468.42947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01579	1.3
65.16708	0.3
71.01252	6.4
71.01614	0.5
71.52167	0.4
72.99200	0.5
73.02828	0.7
73.56885	0.3
85.02842	1.4
87.00781	0.5
89.02319	9.6
95.01330	0.8
97.02890	0.3
101.02316	4.0
103.91621	0.3
113.02320	4.1
119.03386	4.7
121.02862	1.4
123.28417	0.4
125.02367	0.8
131.03418	0.6
135.04501	0.6
137.02444	0.4
143.03447	1.2
144.17203	0.3
149.04462	0.3
151.03929	0.4
161.04457	1.7
179.05537	5.3
180.05992	0.4
191.05627	1.0
285.04120	0.6
327.05222	0.8
387.20233	1.5
447.09070	0.4
447.22281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
56.13489	0.2
57.03320	0.6
58.00444	0.2
59.01249	100.0
60.01580	1.3
66.72463	0.2
68.99685	0.2
71.01252	7.8
71.32674	0.3
73.02824	1.9
74.57485	0.2
83.01266	0.5
84.39822	0.2
85.02824	2.7
89.02322	3.3
95.01267	0.5
95.70229	0.2
96.23317	0.2
99.00776	0.9
101.02322	4.3
108.21616	0.2
113.02330	3.6
119.03382	1.1
124.61325	0.2
125.02339	0.3
131.03465	0.3
135.04425	0.9
137.09593	0.4
143.03407	0.8
159.02878	1.4
161.04453	8.5
163.00359	0.3
165.22769	0.2
179.05547	1.3
189.12749	2.3
190.99818	0.8
205.03543	0.3
207.13834	2.0
225.14955	0.7
327.05191	0.8
328.05746	0.2
357.06210	0.2
387.20309	0.2
447.09161	1.0
447.22565	0.6
448.48621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31187	0.2
57.53606	0.1
59.01263	1.0
63.02259	0.3
64.13920	0.1
65.00186	0.5
65.50727	0.1
71.01270	0.2
71.39869	0.2
71.40202	0.2
79.62562	0.2
83.01263	0.4
89.02295	0.2
95.96336	0.1
105.03333	0.2
107.01266	1.3
116.70585	0.1
116.92728	0.2
119.04898	0.1
121.02859	0.3
133.02843	6.6
134.03142	0.3
145.29750	0.2
149.02347	1.1
151.00276	3.6
153.92737	0.1
163.00323	0.3
171.04449	0.2
175.03908	2.5
179.95998	0.1
197.06070	0.2
198.03131	0.2
199.03949	1.5
201.01880	0.6
206.07852	0.2
211.13283	0.3
213.05531	0.3
215.03429	0.3
217.04999	1.2
223.03937	0.2
239.03397	0.2
241.04971	0.7
242.02170	0.2
243.02911	0.4
256.03738	0.3
257.04602	0.2
284.03299	1.1
285.04037	100.0
286.04401	10.1
297.04028	1.9
298.04626	0.3
299.05521	0.5
300.02762	0.2
301.03430	0.3
327.05099	2.5
328.05527	0.2
357.06094	0.6
387.07257	0.2
447.09363	2.6
448.09634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95165	0.2
55.22998	0.3
59.01243	0.5
61.98714	0.3
65.00195	1.0
68.44271	0.2
69.32145	1.8
78.77979	0.2
83.01247	0.7
98.19811	0.4
105.03377	0.3
107.01280	2.2
107.29550	0.2
121.02830	0.6
125.02347	0.3
133.02844	12.1
134.03168	0.5
137.96162	0.2
149.02353	2.7
150.17021	0.3
151.00272	6.9
155.99371	0.2
160.71265	0.2
169.06485	0.4
171.04413	0.4
175.03931	4.3
185.06049	0.3
189.05554	0.4
197.05981	0.6
198.03128	0.4
199.03951	3.4
201.01935	1.1
213.05487	0.6
215.03404	0.4
217.05017	2.0
223.03964	0.4
229.05086	0.3
240.04367	0.4
241.05022	1.5
243.02965	0.8
256.03732	3.1
257.04355	0.8
267.03021	0.5
284.03259	3.6
285.04034	100.0
286.04391	9.9
298.04846	0.3
299.05624	0.5
311.05710	0.3
327.05142	2.8
357.06009	1.0
431.58893	0.2
447.09305	22.5
448.09625	3.3
459.91473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.5
59.01249	100.0
60.01592	1.5
61.98704	4.9
69.90600	0.5
70.54591	0.5
70.54928	1.0
70.99476	3.4
71.01250	15.7
72.99182	1.2
73.02819	1.2
80.32765	0.5
83.01250	0.8
83.04898	1.9
85.02827	3.1
87.00764	1.7
89.02312	23.5
95.01241	1.1
99.00814	0.5
101.02317	8.3
108.02059	3.1
113.02331	6.5
116.38043	0.5
119.03380	9.5
120.99574	1.7
123.04403	12.0
125.02305	0.5
128.84583	0.5
131.03432	1.2
135.04407	0.5
143.03444	1.8
145.02927	0.5
146.03630	6.8
149.04488	1.2
161.04500	3.4
161.06024	9.3
165.01889	0.6
168.36987	0.4
179.01707	1.0
179.05536	10.5
180.02455	0.5
193.03221	0.7
195.04785	18.1
196.05127	0.8
207.03241	0.4
209.11760	1.4
253.07379	0.6
282.07364	0.7
283.06485	1.5
357.10172	1.9
445.12463	3.5
446.13092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
53.24016	0.4
57.02992	0.4
65.00185	0.6
69.65821	0.9
69.66224	1.6
71.64988	0.5
77.03851	0.7
79.01780	0.5
89.82954	0.4
97.02874	0.4
107.01259	0.6
109.02827	1.1
119.04864	0.8
121.02829	1.6
125.02320	1.2
133.02832	10.0
135.04407	1.2
147.04410	1.0
149.02309	1.4
151.00342	0.6
161.02342	1.6
163.00261	1.7
163.03915	3.0
165.01849	1.5
175.03943	2.6
176.04340	0.5
177.01863	0.5
191.03380	2.2
193.01436	0.6
199.03925	1.3
201.01865	0.7
211.03885	0.5
213.05505	1.0
225.05540	1.2
227.03340	0.8
229.05060	0.5
240.04195	0.9
241.05045	0.8
249.60101	0.4
251.03468	0.5
253.05022	1.2
255.02971	0.9
255.06612	0.8
269.04437	1.1
284.03250	9.4
285.04016	5.8
286.04474	0.6
297.03986	13.9
298.04700	7.6
299.05557	15.5
300.05826	1.5
309.04086	0.7
311.05606	2.2
324.02695	0.6
325.03552	1.1
327.05075	100.0
328.05420	10.4
339.05026	3.1
340.05249	0.4
357.06128	29.9
358.06543	2.6
369.06036	3.2
393.06100	1.4
447.09283	23.1
448.09677	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.9
59.01248	100.0
60.01567	1.3
71.01247	18.1
71.01614	1.2
71.32526	1.5
72.99185	2.1
75.00716	0.8
83.04900	3.0
84.79929	0.7
85.02802	4.1
88.34106	0.6
89.02315	27.3
95.01267	1.3
96.60851	0.6
101.02328	8.7
113.02324	7.9
119.03390	9.8
123.00775	2.3
123.04420	1.1
128.03473	0.9
131.03398	1.1
137.02374	0.9
143.03400	2.9
146.84892	0.7
152.39613	0.6
155.98781	2.5
161.04472	2.7
179.05519	15.6
180.05905	1.1
181.96748	1.6
199.97794	1.8
205.12285	0.9
385.28613	0.7
445.12659	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28725	1.4
55.01749	1.6
57.03317	1.5
58.00481	1.9
59.01249	100.0
65.93006	1.5
67.79163	1.4
70.44588	3.6
71.01251	47.8
72.01610	1.9
72.99190	4.0
73.02805	8.4
74.81846	1.6
81.19160	1.6
83.01244	3.7
85.02815	17.2
87.00743	3.6
89.02309	31.4
95.01282	3.3
97.02838	1.8
99.00752	4.7
101.02313	29.7
112.86031	1.5
113.02322	17.2
119.03378	13.6
123.08038	2.2
125.02309	4.7
131.03403	2.9
137.02290	2.9
138.06735	6.0
139.07507	3.8
139.99359	1.5
143.03375	3.6
151.07555	8.4
152.08293	12.5
153.01898	1.8
153.09128	36.7
154.09464	2.0
159.02927	3.6
161.04457	20.4
165.08952	1.6
167.07027	2.4
179.05544	12.0
182.02177	4.1
205.12296	14.3
209.11707	8.4
221.06552	3.9
223.13333	16.1
265.07001	3.1
282.07474	1.7
324.93698	1.6
385.18787	22.0
386.18970	2.6
445.12622	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55567	0.4
59.01245	1.9
61.98715	0.5
67.13905	0.5
69.65284	0.5
69.65573	2.2
71.01238	0.8
71.05888	0.4
71.07527	0.4
93.03336	9.4
93.55711	0.4
101.02315	0.7
113.02316	0.5
117.03349	29.5
118.03693	1.3
119.04915	96.5
120.05251	4.4
121.02848	17.9
122.03161	0.7
123.04394	0.6
130.04135	0.8
131.04927	3.7
133.02821	0.9
135.04385	0.9
143.04900	0.5
145.02852	87.0
146.03206	4.2
147.04396	1.8
149.05977	4.5
157.06514	1.0
159.08066	1.2
163.03917	100.0
164.04253	5.2
169.06444	0.8
184.05251	0.6
191.45886	0.5
197.06110	0.7
209.11768	10.7
210.12141	0.6
222.06790	0.5
222.91876	0.5
223.07579	1.4
225.26273	0.4
235.07664	0.6
238.30592	0.5
247.07523	0.5
248.08223	0.7
249.09186	1.3
250.09761	0.6
251.10742	5.9
252.11142	0.6
253.09192	1.1
263.10709	2.2
265.08646	1.5
277.08591	2.4
281.11728	0.6
397.14444	2.8
398.14645	0.5
427.15619	1.2
445.16547	92.8
446.16876	17.0
465.90363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.0
61.98691	1.7
62.38627	0.7
63.82836	0.7
71.01250	1.7
71.25649	0.8
83.39879	0.6
85.02814	0.9
89.02290	0.8
93.03329	9.3
98.20621	1.3
102.23928	0.9
110.73864	0.8
113.07784	0.7
117.03347	35.7
118.03684	1.1
119.04913	91.0
120.05261	4.7
121.02838	17.7
123.61960	0.8
131.04912	5.5
133.02878	1.6
143.04936	0.9
145.02850	96.8
146.03146	5.4
147.04407	1.6
149.05968	3.4
157.06429	1.2
159.08054	1.5
163.03915	100.0
164.04253	4.0
197.13446	0.9
209.11821	1.8
215.40161	0.8
223.07524	1.3
233.72076	1.1
235.07750	0.9
235.61098	0.9
241.60944	0.8
248.08636	0.9
249.09308	0.8
250.09702	0.9
251.10732	7.1
261.09140	0.9
263.10800	2.1
265.08728	1.6
269.04489	1.8
269.11807	0.9
277.08688	1.6
281.11786	1.0
284.03339	1.0
297.04120	1.4
299.12918	1.0
397.14432	2.2
427.15497	1.6
445.16531	96.2
446.16891	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	445.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.9
58.00457	0.9
59.01247	12.4
68.99673	1.2
69.03317	1.2
69.29785	1.0
69.98626	2.8
71.01252	21.1
72.99175	3.3
73.02824	1.6
75.00748	10.2
85.02343	1.6
85.02821	20.8
86.95885	0.8
87.00756	7.3
89.02309	6.1
89.03847	1.4
91.03869	1.5
93.03332	1.3
95.01258	4.0
95.04903	1.9
97.02798	1.0
99.00768	5.6
101.02337	1.7
103.00235	3.2
105.03326	2.1
107.04932	1.0
109.02810	1.3
111.00749	1.3
113.01523	1.5
113.02328	28.5
115.00266	1.7
117.01841	1.6
121.02823	3.0
122.03611	1.0
123.04418	37.2
124.04775	1.0
125.02381	1.2
129.01823	3.0
133.02840	16.1
136.12187	1.1
139.03896	1.3
149.02341	5.7
151.03937	7.5
153.79366	1.0
154.02579	0.9
157.01320	1.5
161.02356	3.3
175.02333	1.9
177.01848	73.2
178.02179	4.3
179.03352	1.6
186.40257	1.1
189.18465	0.9
191.01865	1.3
193.03436	1.5
194.02202	1.2
195.02921	11.8
249.06137	26.4
250.06406	1.1
251.05409	1.0
267.07199	100.0
268.07526	6.4
291.07181	2.6
427.08560	5.4
428.09756	0.9
435.33612	0.9
441.95694	1.1
445.09766	54.2
446.10419	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	445.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56145	3.8
59.01251	64.2
61.98704	7.0
70.44336	7.9
70.44667	4.1
71.01259	34.8
73.02824	3.8
78.95788	5.4
85.02809	5.1
87.00761	34.3
89.02322	6.9
101.02321	5.2
109.95111	3.4
112.89787	3.4
113.02357	5.3
113.99442	3.3
114.96910	3.5
115.00254	100.0
121.02853	8.2
128.03404	6.0
135.02867	5.0
137.71309	3.0
145.05319	6.4
146.06003	6.1
146.69669	3.1
148.07600	18.2
155.22842	3.1
156.47333	3.6
158.06052	3.6
159.03192	4.2
160.07587	13.6
160.43404	3.6
165.01813	3.6
173.04800	8.1
174.01668	20.9
174.05533	55.4
175.02409	89.0
175.06256	13.9
176.02815	3.4
176.07133	38.1
188.07083	9.9
193.01416	6.6
202.05037	11.8
204.06552	7.1
206.08163	6.6
209.11734	8.6
211.08728	4.6
216.06575	5.4
217.07423	19.6
232.06168	3.5
254.10573	18.9
260.05588	9.7
269.04605	8.9
269.12943	75.6
270.13242	9.2
271.14468	9.5
283.14514	12.4
294.76605	3.4
297.04086	5.7
297.12466	5.9
299.13956	28.3
309.12488	3.7
327.13507	14.4
328.13748	4.0
385.13992	44.0
386.14203	3.8
445.08060	10.2
445.24561	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	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69159	1.6
54.99855	1.5
57.03301	4.0
59.01250	37.5
62.43489	1.7
68.99680	2.4
69.03306	2.5
70.29991	5.4
71.01248	24.5
72.99165	5.6
73.02821	2.5
75.00742	19.3
85.02347	2.2
85.02822	28.2
87.00756	8.5
88.98679	2.6
89.02293	7.6
95.01251	6.0
99.00755	9.9
101.02292	2.1
103.00195	3.2
109.02783	2.2
111.00700	2.0
113.02325	34.9
115.00276	2.5
117.01807	3.4
117.03316	5.8
129.01781	4.4
134.03627	66.7
135.04324	5.1
149.05939	7.1
149.75836	1.6
153.01779	3.9
160.01541	5.8
161.02286	3.7
175.02486	2.9
175.03882	8.8
179.03453	2.2
179.06996	2.5
193.03328	2.9
193.04987	44.7
194.05324	2.1
231.05000	1.8
249.06100	32.9
250.06506	1.9
267.07153	100.0
268.07547	3.1
410.73785	1.9
425.10770	3.5
443.06616	3.2
443.11777	68.4
444.12372	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93857	0.8
59.01252	100.0
61.98681	1.3
69.46926	5.9
69.62667	0.9
75.11394	0.8
91.03891	3.9
94.96200	1.0
117.86896	0.9
119.04874	2.6
121.02825	1.5
163.03923	3.3
181.04932	2.2
197.11745	4.9
207.10291	0.9
211.13243	1.4
247.09752	1.7
291.19687	3.9
309.20755	12.3
310.21198	1.3
385.76770	1.0
402.41037	0.9
443.28140	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.19482	1.4
70.01675	1.1
70.14363	2.6
70.14759	2.9
75.00744	2.7
78.75653	1.2
83.64912	1.2
89.74986	1.2
91.10240	1.1
98.02411	1.1
98.19886	1.7
98.45235	1.3
232.62273	1.4
291.19611	1.4
309.20645	3.3
END